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-9f2803a7/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/asra-9f2803a7/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-9f2803a7/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/asra-9f2803a7/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-9f2803a7/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/asra-9f2803a7/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-9f2803a7/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/asra-9f2803a7/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-9f2803a7/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/asra-9f2803a7/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-9f2803a7/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/asra-9f2803a7/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-9f2803a7/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/asra-9f2803a7/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-9f2803a7/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/asra-9f2803a7/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-9f2803a7/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/asra-9f2803a7/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-9f2803a7/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/asra-9f2803a7/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: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -194.625466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.625466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.655030 (E_RNA)
where:
Base-Base interactions energy: -134.354
where: short stacking energy: -57.517
Base-Backbone interact. energy: -0.000
local terms energy: -60.300549
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -12.097
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -6.571
tors. eta vs tors. theta energy: -14.764
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: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -196.158981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.158981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.340351 (E_RNA)
where:
Base-Base interactions energy: -142.853
where: short stacking energy: -62.917
Base-Backbone interact. energy: -0.000
local terms energy: -53.487125
where:
bonds (distance) C4'-P energy: -8.588
bonds (distance) P-C4' energy: -11.526
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -6.041
tors. eta vs tors. theta energy: -15.159
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: 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: 6
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -197.480929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.480929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.480929 (E_RNA)
where:
Base-Base interactions energy: -144.285
where: short stacking energy: -55.979
Base-Backbone interact. energy: -0.002
local terms energy: -53.194677
where:
bonds (distance) C4'-P energy: -9.698
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -11.586
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -12.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -192.304303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.304303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.315932 (E_RNA)
where:
Base-Base interactions energy: -139.434
where: short stacking energy: -57.186
Base-Backbone interact. energy: 0.289
local terms energy: -53.170600
where:
bonds (distance) C4'-P energy: -7.968
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -7.458
tors. eta vs tors. theta energy: -11.818
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: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -186.389837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.389837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.505531 (E_RNA)
where:
Base-Base interactions energy: -129.128
where: short stacking energy: -46.245
Base-Backbone interact. energy: -0.147
local terms energy: -57.230824
where:
bonds (distance) C4'-P energy: -11.988
bonds (distance) P-C4' energy: -12.256
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -7.518
tors. eta vs tors. theta energy: -12.368
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: 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: 6
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -195.150178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.150178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.445464 (E_RNA)
where:
Base-Base interactions energy: -136.671
where: short stacking energy: -53.195
Base-Backbone interact. energy: -0.001
local terms energy: -58.774145
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -12.347
flat angles P-C4'-P energy: -5.707
tors. eta vs tors. theta energy: -13.296
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: 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: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -197.821044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.821044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.203440 (E_RNA)
where:
Base-Base interactions energy: -131.778
where: short stacking energy: -51.370
Base-Backbone interact. energy: -0.107
local terms energy: -66.318987
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -14.677
Dist. restrs. and SS energy: 0.382 (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: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -191.800512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.800512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.859225 (E_RNA)
where:
Base-Base interactions energy: -128.690
where: short stacking energy: -49.743
Base-Backbone interact. energy: -0.003
local terms energy: -63.165765
where:
bonds (distance) C4'-P energy: -9.230
bonds (distance) P-C4' energy: -13.978
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -17.857
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: 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: 6
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -209.351278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.351278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.445428 (E_RNA)
where:
Base-Base interactions energy: -155.767
where: short stacking energy: -62.919
Base-Backbone interact. energy: 0.797
local terms energy: -54.476250
where:
bonds (distance) C4'-P energy: -9.113
bonds (distance) P-C4' energy: -10.555
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -14.470
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: 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: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -204.014900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.014900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.067066 (E_RNA)
where:
Base-Base interactions energy: -142.429
where: short stacking energy: -58.485
Base-Backbone interact. energy: -0.089
local terms energy: -61.548725
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -11.624
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -15.904
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: 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: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -192.661095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.661095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.818145 (E_RNA)
where:
Base-Base interactions energy: -129.734
where: short stacking energy: -53.591
Base-Backbone interact. energy: 0.069
local terms energy: -63.152678
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -14.445
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: 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: 6
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -221.154844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.154844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.214778 (E_RNA)
where:
Base-Base interactions energy: -169.470
where: short stacking energy: -69.454
Base-Backbone interact. energy: -0.076
local terms energy: -51.668801
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -8.849
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -0.400
tors. eta vs tors. theta energy: -17.537
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: 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: 8
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -210.965005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.965005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.059893 (E_RNA)
where:
Base-Base interactions energy: -151.920
where: short stacking energy: -60.532
Base-Backbone interact. energy: -0.004
local terms energy: -59.135746
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -12.276
flat angles C4'-P-C4' energy: -11.263
flat angles P-C4'-P energy: -7.486
tors. eta vs tors. theta energy: -16.260
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: 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: 10
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -192.254396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.254396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.288644 (E_RNA)
where:
Base-Base interactions energy: -134.779
where: short stacking energy: -50.334
Base-Backbone interact. energy: -0.002
local terms energy: -57.508008
where:
bonds (distance) C4'-P energy: -10.535
bonds (distance) P-C4' energy: -10.288
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -11.509
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: 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: 6
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -223.762793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.762793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.767876 (E_RNA)
where:
Base-Base interactions energy: -167.407
where: short stacking energy: -64.489
Base-Backbone interact. energy: -0.160
local terms energy: -56.201184
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -11.561
flat angles C4'-P-C4' energy: -10.122
flat angles P-C4'-P energy: -4.940
tors. eta vs tors. theta energy: -18.217
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: 3
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -203.394002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.394002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.453861 (E_RNA)
where:
Base-Base interactions energy: -157.907
where: short stacking energy: -58.549
Base-Backbone interact. energy: -0.580
local terms energy: -44.967486
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -10.851
flat angles C4'-P-C4' energy: -7.566
flat angles P-C4'-P energy: -3.767
tors. eta vs tors. theta energy: -11.665
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: 8
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -204.037366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.037366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.037366 (E_RNA)
where:
Base-Base interactions energy: -144.892
where: short stacking energy: -55.604
Base-Backbone interact. energy: 0.254
local terms energy: -59.399181
where:
bonds (distance) C4'-P energy: -9.623
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -10.751
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -15.625
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 10
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -202.432987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.432987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.526538 (E_RNA)
where:
Base-Base interactions energy: -150.925
where: short stacking energy: -62.814
Base-Backbone interact. energy: -0.000
local terms energy: -51.601560
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -7.183
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -7.424
tors. eta vs tors. theta energy: -10.543
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: 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: 6
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -228.736167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.736167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.830702 (E_RNA)
where:
Base-Base interactions energy: -164.144
where: short stacking energy: -67.511
Base-Backbone interact. energy: -0.001
local terms energy: -64.685524
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -6.958
tors. eta vs tors. theta energy: -16.137
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: 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: -205.427257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.427257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.518296 (E_RNA)
where:
Base-Base interactions energy: -141.795
where: short stacking energy: -54.042
Base-Backbone interact. energy: -0.017
local terms energy: -63.706629
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -13.640
flat angles P-C4'-P energy: -6.963
tors. eta vs tors. theta energy: -15.109
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: 3
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -205.833934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.833934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.186399 (E_RNA)
where:
Base-Base interactions energy: -143.737
where: short stacking energy: -65.155
Base-Backbone interact. energy: 0.288
local terms energy: -62.737302
where:
bonds (distance) C4'-P energy: -10.348
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -8.718
tors. eta vs tors. theta energy: -15.508
Dist. restrs. and SS energy: 0.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -207.170910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.170910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.241964 (E_RNA)
where:
Base-Base interactions energy: -144.790
where: short stacking energy: -57.252
Base-Backbone interact. energy: -0.255
local terms energy: -62.197372
where:
bonds (distance) C4'-P energy: -9.789
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -8.176
tors. eta vs tors. theta energy: -14.812
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: 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: 6
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -217.979655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.979655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.986601 (E_RNA)
where:
Base-Base interactions energy: -150.209
where: short stacking energy: -62.623
Base-Backbone interact. energy: -0.025
local terms energy: -67.752375
where:
bonds (distance) C4'-P energy: -11.456
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -15.097
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: 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: -210.701031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.701031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.906908 (E_RNA)
where:
Base-Base interactions energy: -151.732
where: short stacking energy: -60.496
Base-Backbone interact. energy: -0.002
local terms energy: -59.173026
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -10.836
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -5.666
tors. eta vs tors. theta energy: -16.784
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: 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: 3
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -200.473589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.473589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.541856 (E_RNA)
where:
Base-Base interactions energy: -138.189
where: short stacking energy: -55.173
Base-Backbone interact. energy: -0.268
local terms energy: -62.084967
where:
bonds (distance) C4'-P energy: -11.109
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -13.248
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: 10
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -194.546850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.546850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.635411 (E_RNA)
where:
Base-Base interactions energy: -137.805
where: short stacking energy: -54.196
Base-Backbone interact. energy: -0.371
local terms energy: -56.458695
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -12.688
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -6.778
tors. eta vs tors. theta energy: -11.409
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: 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: 6
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -220.637376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.637376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.782537 (E_RNA)
where:
Base-Base interactions energy: -153.952
where: short stacking energy: -66.297
Base-Backbone interact. energy: -0.009
local terms energy: -66.821315
where:
bonds (distance) C4'-P energy: -11.162
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -17.581
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: 2, replica: 7
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -220.056897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.056897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.156565 (E_RNA)
where:
Base-Base interactions energy: -151.690
where: short stacking energy: -60.630
Base-Backbone interact. energy: -0.071
local terms energy: -68.395580
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -11.355
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -19.042
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: 8
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -214.825612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.825612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.834188 (E_RNA)
where:
Base-Base interactions energy: -150.936
where: short stacking energy: -59.794
Base-Backbone interact. energy: -0.043
local terms energy: -63.854411
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -7.466
tors. eta vs tors. theta energy: -13.414
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: 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: 3
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -198.400848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.400848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.428949 (E_RNA)
where:
Base-Base interactions energy: -143.753
where: short stacking energy: -61.221
Base-Backbone interact. energy: -0.000
local terms energy: -54.675138
where:
bonds (distance) C4'-P energy: -8.851
bonds (distance) P-C4' energy: -11.384
flat angles C4'-P-C4' energy: -10.227
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -13.801
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: 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: -195.171124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.171124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.171124 (E_RNA)
where:
Base-Base interactions energy: -133.888
where: short stacking energy: -52.670
Base-Backbone interact. energy: -0.065
local terms energy: -61.217510
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -10.832
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -13.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 6
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -228.011105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.011105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.116588 (E_RNA)
where:
Base-Base interactions energy: -163.800
where: short stacking energy: -64.695
Base-Backbone interact. energy: -0.092
local terms energy: -64.224852
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -6.569
tors. eta vs tors. theta energy: -17.534
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: 2, replica: 8
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -218.410018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.410018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.456195 (E_RNA)
where:
Base-Base interactions energy: -148.920
where: short stacking energy: -60.186
Base-Backbone interact. energy: -0.315
local terms energy: -69.221647
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -17.606
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: 13
Temperature: 1.000000
Total energy: -217.286636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.286636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.330702 (E_RNA)
where:
Base-Base interactions energy: -150.529
where: short stacking energy: -61.751
Base-Backbone interact. energy: -0.000
local terms energy: -66.801052
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -13.837
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -19.421
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: 3
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -208.627448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.627448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.627448 (E_RNA)
where:
Base-Base interactions energy: -151.533
where: short stacking energy: -64.145
Base-Backbone interact. energy: -0.000
local terms energy: -57.094288
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -7.969
flat angles C4'-P-C4' energy: -12.211
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -16.242
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 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: -206.620071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.620071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.695578 (E_RNA)
where:
Base-Base interactions energy: -145.555
where: short stacking energy: -59.779
Base-Backbone interact. energy: -0.037
local terms energy: -61.103146
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -11.373
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -8.215
tors. eta vs tors. theta energy: -16.457
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: 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: 6
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -223.997286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.997286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.199736 (E_RNA)
where:
Base-Base interactions energy: -157.906
where: short stacking energy: -69.786
Base-Backbone interact. energy: -0.001
local terms energy: -66.292704
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -12.600
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -6.735
tors. eta vs tors. theta energy: -19.233
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: 2, replica: 8
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -217.993830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.993830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.008844 (E_RNA)
where:
Base-Base interactions energy: -151.668
where: short stacking energy: -57.070
Base-Backbone interact. energy: -0.204
local terms energy: -66.136276
where:
bonds (distance) C4'-P energy: -10.894
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -8.449
tors. eta vs tors. theta energy: -17.648
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: 14
Temperature: 1.000000
Total energy: -204.904141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.904141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.931413 (E_RNA)
where:
Base-Base interactions energy: -149.346
where: short stacking energy: -62.946
Base-Backbone interact. energy: -0.023
local terms energy: -55.561811
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -10.544
flat angles C4'-P-C4' energy: -11.720
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: -12.204
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: 7
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -208.711682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.711682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.732677 (E_RNA)
where:
Base-Base interactions energy: -145.712
where: short stacking energy: -60.597
Base-Backbone interact. energy: -0.000
local terms energy: -63.020319
where:
bonds (distance) C4'-P energy: -7.091
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: -18.977
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: 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: -200.778225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.778225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.904099 (E_RNA)
where:
Base-Base interactions energy: -140.463
where: short stacking energy: -62.632
Base-Backbone interact. energy: -0.002
local terms energy: -60.438968
where:
bonds (distance) C4'-P energy: -7.146
bonds (distance) P-C4' energy: -12.219
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -18.259
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: 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: 4
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -184.642693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.642693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.664051 (E_RNA)
where:
Base-Base interactions energy: -135.611
where: short stacking energy: -60.248
Base-Backbone interact. energy: -0.157
local terms energy: -55.896309
where:
bonds (distance) C4'-P energy: -5.433
bonds (distance) P-C4' energy: -11.143
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -7.436
tors. eta vs tors. theta energy: -17.414
Dist. restrs. and SS energy: 7.021 (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: 1
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -193.124154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.124154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.551283 (E_RNA)
where:
Base-Base interactions energy: -132.124
where: short stacking energy: -52.453
Base-Backbone interact. energy: -0.152
local terms energy: -61.275034
where:
bonds (distance) C4'-P energy: -7.951
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -14.089
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -14.079
Dist. restrs. and SS energy: 0.427 (S_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: 15
Temperature: 0.900000
Total energy: -225.449257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.449257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.459644 (E_RNA)
where:
Base-Base interactions energy: -154.571
where: short stacking energy: -62.183
Base-Backbone interact. energy: -0.004
local terms energy: -70.884694
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -12.825
tors. eta vs tors. theta energy: -16.382
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: 15
Temperature: 0.950000
Total energy: -213.077322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.077322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.083381 (E_RNA)
where:
Base-Base interactions energy: -150.670
where: short stacking energy: -62.164
Base-Backbone interact. energy: -0.052
local terms energy: -62.361058
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -4.711
tors. eta vs tors. theta energy: -13.868
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: 15
Temperature: 1.000000
Total energy: -226.361232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.361232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.361232 (E_RNA)
where:
Base-Base interactions energy: -167.165
where: short stacking energy: -67.781
Base-Backbone interact. energy: -0.623
local terms energy: -58.573264
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -13.411
flat angles P-C4'-P energy: -3.391
tors. eta vs tors. theta energy: -14.627
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 7
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -214.010768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.010768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.176605 (E_RNA)
where:
Base-Base interactions energy: -158.988
where: short stacking energy: -65.247
Base-Backbone interact. energy: -0.323
local terms energy: -54.865203
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -14.391
flat angles C4'-P-C4' energy: -11.577
flat angles P-C4'-P energy: -3.403
tors. eta vs tors. theta energy: -15.101
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: 6, replica: 10
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -204.443776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.443776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.443776 (E_RNA)
where:
Base-Base interactions energy: -145.051
where: short stacking energy: -58.398
Base-Backbone interact. energy: -0.002
local terms energy: -59.391054
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -10.022
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -17.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -201.679693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.679693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.717551 (E_RNA)
where:
Base-Base interactions energy: -140.247
where: short stacking energy: -55.972
Base-Backbone interact. energy: -0.276
local terms energy: -61.194679
where:
bonds (distance) C4'-P energy: -10.257
bonds (distance) P-C4' energy: -10.575
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -16.467
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: 4
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -186.773805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.773805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.812491 (E_RNA)
where:
Base-Base interactions energy: -132.807
where: short stacking energy: -62.845
Base-Backbone interact. energy: -0.011
local terms energy: -61.995091
where:
bonds (distance) C4'-P energy: -10.990
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -5.851
tors. eta vs tors. theta energy: -16.052
Dist. restrs. and SS energy: 8.039 (S_DIST_RNA)
chem. 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: 1
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -191.383095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.383095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.497288 (E_RNA)
where:
Base-Base interactions energy: -135.972
where: short stacking energy: -55.480
Base-Backbone interact. energy: -0.000
local terms energy: -55.525534
where:
bonds (distance) C4'-P energy: -2.828
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -16.810
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: 1, replica: 3
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -227.981781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.981781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.012539 (E_RNA)
where:
Base-Base interactions energy: -167.282
where: short stacking energy: -69.768
Base-Backbone interact. energy: -0.021
local terms energy: -60.709815
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -11.624
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -2.792
tors. eta vs tors. theta energy: -17.663
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: 16
Temperature: 0.950000
Total energy: -219.418749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.418749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.418749 (E_RNA)
where:
Base-Base interactions energy: -152.109
where: short stacking energy: -60.637
Base-Backbone interact. energy: -0.109
local terms energy: -67.200819
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -15.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 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: -219.935885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.935885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.037904 (E_RNA)
where:
Base-Base interactions energy: -164.203
where: short stacking energy: -68.357
Base-Backbone interact. energy: -0.001
local terms energy: -55.833452
where:
bonds (distance) C4'-P energy: -9.109
bonds (distance) P-C4' energy: -11.513
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -2.357
tors. eta vs tors. theta energy: -17.171
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: 5, replica: 10
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -210.066125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.066125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.087943 (E_RNA)
where:
Base-Base interactions energy: -145.931
where: short stacking energy: -57.197
Base-Backbone interact. energy: -0.582
local terms energy: -63.574911
where:
bonds (distance) C4'-P energy: -11.952
bonds (distance) P-C4' energy: -12.425
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -15.020
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: 7
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -203.609352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.609352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.856346 (E_RNA)
where:
Base-Base interactions energy: -147.236
where: short stacking energy: -56.409
Base-Backbone interact. energy: -0.001
local terms energy: -56.619376
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: 0.031
tors. eta vs tors. theta energy: -14.721
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: 7, replica: 4
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -190.449488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.449488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.529913 (E_RNA)
where:
Base-Base interactions energy: -137.107
where: short stacking energy: -59.841
Base-Backbone interact. energy: -0.016
local terms energy: -60.406791
where:
bonds (distance) C4'-P energy: -8.339
bonds (distance) P-C4' energy: -10.970
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -18.319
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: 8, replica: 9
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -198.053256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.053256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.073410 (E_RNA)
where:
Base-Base interactions energy: -142.925
where: short stacking energy: -56.131
Base-Backbone interact. energy: -0.017
local terms energy: -55.131667
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -9.823
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -2.797
tors. eta vs tors. theta energy: -15.605
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: 16
Temperature: 1.300000
Total energy: -194.162275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.162275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.367879 (E_RNA)
where:
Base-Base interactions energy: -141.781
where: short stacking energy: -54.376
Base-Backbone interact. energy: -0.093
local terms energy: -52.494005
where:
bonds (distance) C4'-P energy: -6.110
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -6.024
tors. eta vs tors. theta energy: -14.272
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: 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: 3
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -225.364151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.364151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.367127 (E_RNA)
where:
Base-Base interactions energy: -157.155
where: short stacking energy: -62.275
Base-Backbone interact. energy: -0.042
local terms energy: -68.170818
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -6.743
tors. eta vs tors. theta energy: -18.731
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: 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: 6
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -213.469595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.469595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.525904 (E_RNA)
where:
Base-Base interactions energy: -155.154
where: short stacking energy: -56.419
Base-Backbone interact. energy: -0.209
local terms energy: -58.163142
where:
bonds (distance) C4'-P energy: -12.069
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -8.907
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -13.825
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: 8
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -216.952313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.952313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.108632 (E_RNA)
where:
Base-Base interactions energy: -160.412
where: short stacking energy: -67.086
Base-Backbone interact. energy: -0.046
local terms energy: -56.650780
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -10.900
flat angles C4'-P-C4' energy: -10.983
flat angles P-C4'-P energy: -4.577
tors. eta vs tors. theta energy: -18.023
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: 5, replica: 10
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -210.892419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.892419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.011140 (E_RNA)
where:
Base-Base interactions energy: -157.659
where: short stacking energy: -62.702
Base-Backbone interact. energy: -0.003
local terms energy: -53.348505
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -6.790
flat angles P-C4'-P energy: -6.237
tors. eta vs tors. theta energy: -12.396
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: 17
Temperature: 1.150000
Total energy: -190.713124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.713124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.794613 (E_RNA)
where:
Base-Base interactions energy: -129.256
where: short stacking energy: -53.436
Base-Backbone interact. energy: -1.930
local terms energy: -67.608698
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -11.030
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: -15.534
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: 7, replica: 7
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -197.802429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.802429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.817802 (E_RNA)
where:
Base-Base interactions energy: -135.206
where: short stacking energy: -54.000
Base-Backbone interact. energy: -0.009
local terms energy: -62.602588
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -6.770
tors. eta vs tors. theta energy: -13.367
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: 9
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -198.088036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.088036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.188157 (E_RNA)
where:
Base-Base interactions energy: -138.249
where: short stacking energy: -57.723
Base-Backbone interact. energy: -0.167
local terms energy: -59.771260
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -12.393
flat angles C4'-P-C4' energy: -12.410
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: -12.640
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: 9, replica: 1
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -191.985960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.985960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.054612 (E_RNA)
where:
Base-Base interactions energy: -134.607
where: short stacking energy: -52.438
Base-Backbone interact. energy: -0.133
local terms energy: -57.315351
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -10.912
flat angles C4'-P-C4' energy: -11.917
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -14.588
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: 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: 3
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -229.218895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.218895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.321506 (E_RNA)
where:
Base-Base interactions energy: -165.115
where: short stacking energy: -66.834
Base-Backbone interact. energy: -0.589
local terms energy: -63.617355
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -13.305
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -5.167
tors. eta vs tors. theta energy: -19.304
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: 8
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -210.207185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.207185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.207529 (E_RNA)
where:
Base-Base interactions energy: -146.009
where: short stacking energy: -59.299
Base-Backbone interact. energy: -0.002
local terms energy: -64.196547
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -10.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -220.795795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.795795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.870660 (E_RNA)
where:
Base-Base interactions energy: -154.840
where: short stacking energy: -63.967
Base-Backbone interact. energy: -0.003
local terms energy: -66.028291
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -17.934
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: 10
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -205.097323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.097323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.102701 (E_RNA)
where:
Base-Base interactions energy: -144.317
where: short stacking energy: -61.216
Base-Backbone interact. energy: -0.161
local terms energy: -60.625122
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -11.123
flat angles P-C4'-P energy: -7.494
tors. eta vs tors. theta energy: -15.711
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: 4
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -186.839716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.839716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.450388 (E_RNA)
where:
Base-Base interactions energy: -129.890
where: short stacking energy: -52.238
Base-Backbone interact. energy: -0.102
local terms energy: -64.458347
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -14.274
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -11.348
tors. eta vs tors. theta energy: -13.160
Dist. restrs. and SS energy: 7.611 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -198.794625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.794625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.919983 (E_RNA)
where:
Base-Base interactions energy: -135.733
where: short stacking energy: -57.550
Base-Backbone interact. energy: 0.165
local terms energy: -63.351696
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: -18.320
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: 8, replica: 7
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -192.669202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.669202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.931963 (E_RNA)
where:
Base-Base interactions energy: -139.016
where: short stacking energy: -59.355
Base-Backbone interact. energy: -0.063
local terms energy: -53.852375
where:
bonds (distance) C4'-P energy: -8.451
bonds (distance) P-C4' energy: -9.308
flat angles C4'-P-C4' energy: -11.329
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -14.813
Dist. restrs. and SS energy: 0.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -192.967559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.967559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.992076 (E_RNA)
where:
Base-Base interactions energy: -128.805
where: short stacking energy: -50.730
Base-Backbone interact. energy: -0.002
local terms energy: -64.185828
where:
bonds (distance) C4'-P energy: -10.282
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -15.583
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: 5
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -167.347166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.347166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.218310 (E_RNA)
where:
Base-Base interactions energy: -123.338
where: short stacking energy: -51.540
Base-Backbone interact. energy: -0.250
local terms energy: -52.629867
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -8.460
flat angles C4'-P-C4' energy: -14.399
flat angles P-C4'-P energy: -7.481
tors. eta vs tors. theta energy: -10.857
Dist. restrs. and SS energy: 8.871 (S_DIST_RNA)
chem. 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: 3
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -225.201758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.201758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.219246 (E_RNA)
where:
Base-Base interactions energy: -162.302
where: short stacking energy: -60.257
Base-Backbone interact. energy: -0.075
local terms energy: -62.842295
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -5.562
tors. eta vs tors. theta energy: -15.808
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: 8
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -214.040870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.040870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.157873 (E_RNA)
where:
Base-Base interactions energy: -147.953
where: short stacking energy: -63.247
Base-Backbone interact. energy: 0.305
local terms energy: -66.510290
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -17.461
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: 10
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -208.331608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.331608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.678933 (E_RNA)
where:
Base-Base interactions energy: -150.419
where: short stacking energy: -55.831
Base-Backbone interact. energy: -0.921
local terms energy: -57.338869
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -10.738
flat angles C4'-P-C4' energy: -12.010
flat angles P-C4'-P energy: -8.221
tors. eta vs tors. theta energy: -13.439
Dist. restrs. and SS energy: 0.347 (S_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: 19
Temperature: 1.100000
Total energy: -221.841665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.841665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.879359 (E_RNA)
where:
Base-Base interactions energy: -166.178
where: short stacking energy: -73.589
Base-Backbone interact. energy: -0.200
local terms energy: -55.501443
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -11.207
flat angles C4'-P-C4' energy: -12.193
flat angles P-C4'-P energy: -2.057
tors. eta vs tors. theta energy: -18.630
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: 19
Temperature: 1.150000
Total energy: -199.376415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.376415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.414497 (E_RNA)
where:
Base-Base interactions energy: -137.866
where: short stacking energy: -51.660
Base-Backbone interact. energy: -0.093
local terms energy: -61.455416
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -10.608
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -14.496
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: 4
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -185.638138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.638138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.533420 (E_RNA)
where:
Base-Base interactions energy: -135.604
where: short stacking energy: -56.668
Base-Backbone interact. energy: -0.050
local terms energy: -58.879624
where:
bonds (distance) C4'-P energy: -8.257
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -13.013
Dist. restrs. and SS energy: 8.895 (S_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: 19
Temperature: 1.250000
Total energy: -204.013188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.013188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.063410 (E_RNA)
where:
Base-Base interactions energy: -146.001
where: short stacking energy: -56.105
Base-Backbone interact. energy: -0.729
local terms energy: -57.333178
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -9.036
flat angles P-C4'-P energy: -6.703
tors. eta vs tors. theta energy: -15.377
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: 7
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -199.570397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.570397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.570397 (E_RNA)
where:
Base-Base interactions energy: -148.527
where: short stacking energy: -62.677
Base-Backbone interact. energy: -0.039
local terms energy: -51.003599
where:
bonds (distance) C4'-P energy: -9.850
bonds (distance) P-C4' energy: -9.875
flat angles C4'-P-C4' energy: -9.610
flat angles P-C4'-P energy: -7.863
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: 10, replica: 5
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -183.178184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.178184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.966032 (E_RNA)
where:
Base-Base interactions energy: -130.788
where: short stacking energy: -55.095
Base-Backbone interact. energy: -0.347
local terms energy: -59.830440
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -10.659
flat angles C4'-P-C4' energy: -12.398
flat angles P-C4'-P energy: -7.948
tors. eta vs tors. theta energy: -15.523
Dist. restrs. and SS energy: 7.788 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -232.527964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.527964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.534819 (E_RNA)
where:
Base-Base interactions energy: -168.846
where: short stacking energy: -69.597
Base-Backbone interact. energy: -0.001
local terms energy: -63.688235
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -7.901
tors. eta vs tors. theta energy: -16.990
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: 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: 10
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -214.692018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.692018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.692018 (E_RNA)
where:
Base-Base interactions energy: -146.118
where: short stacking energy: -56.127
Base-Backbone interact. energy: -0.053
local terms energy: -68.520772
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -12.797
tors. eta vs tors. theta energy: -14.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -204.819120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.819120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.890763 (E_RNA)
where:
Base-Base interactions energy: -144.003
where: short stacking energy: -59.008
Base-Backbone interact. energy: -0.011
local terms energy: -60.877610
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -11.781
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -5.190
tors. eta vs tors. theta energy: -13.890
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: 20
Temperature: 1.100000
Total energy: -210.579270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.579270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.619363 (E_RNA)
where:
Base-Base interactions energy: -144.488
where: short stacking energy: -58.633
Base-Backbone interact. energy: -0.001
local terms energy: -66.130630
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -18.031
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: 6
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -216.392188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.392188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.447699 (E_RNA)
where:
Base-Base interactions energy: -145.079
where: short stacking energy: -60.898
Base-Backbone interact. energy: -0.179
local terms energy: -71.189371
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -16.007
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: 20
Temperature: 1.200000
Total energy: -201.733077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.733077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.965578 (E_RNA)
where:
Base-Base interactions energy: -140.473
where: short stacking energy: -60.430
Base-Backbone interact. energy: 0.224
local terms energy: -61.717416
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -11.394
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -14.966
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: 8, replica: 4
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -184.704452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.704452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.211204 (E_RNA)
where:
Base-Base interactions energy: -132.857
where: short stacking energy: -58.937
Base-Backbone interact. energy: -1.440
local terms energy: -57.914478
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -7.650
flat angles P-C4'-P energy: -5.706
tors. eta vs tors. theta energy: -16.494
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: 20
Temperature: 1.300000
Total energy: -174.365709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.365709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.315771 (E_RNA)
where:
Base-Base interactions energy: -131.224
where: short stacking energy: -55.860
Base-Backbone interact. energy: -0.006
local terms energy: -50.085720
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -8.123
flat angles C4'-P-C4' energy: -11.908
flat angles P-C4'-P energy: -6.677
tors. eta vs tors. theta energy: -12.985
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: 7
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -199.059899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.059899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.196913 (E_RNA)
where:
Base-Base interactions energy: -140.755
where: short stacking energy: -56.092
Base-Backbone interact. energy: -0.211
local terms energy: -58.231041
where:
bonds (distance) C4'-P energy: -8.001
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -10.806
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -15.022
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: 3
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -231.286878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.286878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.380973 (E_RNA)
where:
Base-Base interactions energy: -169.230
where: short stacking energy: -67.146
Base-Backbone interact. energy: -0.002
local terms energy: -62.149087
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -13.265
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -3.798
tors. eta vs tors. theta energy: -16.826
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: 2
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -221.218540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.218540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.251188 (E_RNA)
where:
Base-Base interactions energy: -159.427
where: short stacking energy: -60.049
Base-Backbone interact. energy: -0.005
local terms energy: -61.818889
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -6.836
tors. eta vs tors. theta energy: -13.567
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: 21
Temperature: 1.000000
Total energy: -207.169436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.169436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.169436 (E_RNA)
where:
Base-Base interactions energy: -143.562
where: short stacking energy: -59.878
Base-Backbone interact. energy: -0.012
local terms energy: -63.595978
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -13.302
flat angles C4'-P-C4' energy: -11.899
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: -17.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -225.317573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.317573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.349795 (E_RNA)
where:
Base-Base interactions energy: -157.187
where: short stacking energy: -64.344
Base-Backbone interact. energy: -0.156
local terms energy: -68.006109
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -13.178
flat angles C4'-P-C4' energy: -13.289
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -16.640
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: 8
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -219.108195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.108195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.167546 (E_RNA)
where:
Base-Base interactions energy: -162.510
where: short stacking energy: -64.197
Base-Backbone interact. energy: -0.009
local terms energy: -56.648328
where:
bonds (distance) C4'-P energy: -9.759
bonds (distance) P-C4' energy: -10.399
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -6.426
tors. eta vs tors. theta energy: -16.479
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: 21
Temperature: 1.150000
Total energy: -210.208291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.208291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.379423 (E_RNA)
where:
Base-Base interactions energy: -150.496
where: short stacking energy: -57.485
Base-Backbone interact. energy: -0.001
local terms energy: -59.881770
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -10.091
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: -14.971
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: 7, replica: 6
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -206.587548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.587548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.620067 (E_RNA)
where:
Base-Base interactions energy: -157.276
where: short stacking energy: -55.610
Base-Backbone interact. energy: 0.342
local terms energy: -49.685944
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -6.737
flat angles C4'-P-C4' energy: -11.430
flat angles P-C4'-P energy: -4.790
tors. eta vs tors. theta energy: -14.531
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: 8, replica: 5
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -181.932361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.932361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.307590 (E_RNA)
where:
Base-Base interactions energy: -131.670
where: short stacking energy: -48.717
Base-Backbone interact. energy: -0.100
local terms energy: -57.537099
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -11.999
flat angles C4'-P-C4' energy: -11.137
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -13.030
Dist. restrs. and SS energy: 7.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -171.928156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.928156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.343237 (E_RNA)
where:
Base-Base interactions energy: -130.045
where: short stacking energy: -57.390
Base-Backbone interact. energy: -0.005
local terms energy: -49.293812
where:
bonds (distance) C4'-P energy: -8.199
bonds (distance) P-C4' energy: -9.077
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -8.254
tors. eta vs tors. theta energy: -12.070
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: 10, replica: 7
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -192.156619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.156619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.546449 (E_RNA)
where:
Base-Base interactions energy: -135.629
where: short stacking energy: -55.106
Base-Backbone interact. energy: -0.177
local terms energy: -56.739950
where:
bonds (distance) C4'-P energy: -6.344
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -7.874
tors. eta vs tors. theta energy: -14.131
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: 1, replica: 2
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -222.935183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.935183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.096302 (E_RNA)
where:
Base-Base interactions energy: -162.918
where: short stacking energy: -65.649
Base-Backbone interact. energy: -0.001
local terms energy: -60.177264
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -1.796
tors. eta vs tors. theta energy: -16.007
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: 3
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -233.545768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.545768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.653522 (E_RNA)
where:
Base-Base interactions energy: -175.228
where: short stacking energy: -68.067
Base-Backbone interact. energy: -0.097
local terms energy: -58.329176
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -12.959
flat angles C4'-P-C4' energy: -14.247
flat angles P-C4'-P energy: -3.193
tors. eta vs tors. theta energy: -16.192
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: 9
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -220.076330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.076330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.112497 (E_RNA)
where:
Base-Base interactions energy: -151.356
where: short stacking energy: -62.868
Base-Backbone interact. energy: -0.022
local terms energy: -68.735089
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -12.698
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -12.753
tors. eta vs tors. theta energy: -17.120
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: 10
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -215.063139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.063139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.141011 (E_RNA)
where:
Base-Base interactions energy: -151.480
where: short stacking energy: -64.420
Base-Backbone interact. energy: -0.005
local terms energy: -63.656583
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -12.024
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -9.311
tors. eta vs tors. theta energy: -13.960
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: 1
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -207.418556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.418556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.455455 (E_RNA)
where:
Base-Base interactions energy: -145.976
where: short stacking energy: -61.049
Base-Backbone interact. energy: -0.388
local terms energy: -61.092116
where:
bonds (distance) C4'-P energy: -11.439
bonds (distance) P-C4' energy: -15.313
flat angles C4'-P-C4' energy: -11.577
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -14.445
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: 8
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -210.755580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.755580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.787489 (E_RNA)
where:
Base-Base interactions energy: -154.698
where: short stacking energy: -56.042
Base-Backbone interact. energy: -0.220
local terms energy: -55.869451
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -13.104
flat angles P-C4'-P energy: -4.212
tors. eta vs tors. theta energy: -10.799
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: 22
Temperature: 1.200000
Total energy: -218.273863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.273863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.519394 (E_RNA)
where:
Base-Base interactions energy: -153.650
where: short stacking energy: -61.820
Base-Backbone interact. energy: -0.236
local terms energy: -64.633379
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -10.800
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -8.461
tors. eta vs tors. theta energy: -15.308
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: 5
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -173.190365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.190365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.680901 (E_RNA)
where:
Base-Base interactions energy: -120.894
where: short stacking energy: -53.875
Base-Backbone interact. energy: -0.409
local terms energy: -59.377692
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -10.706
flat angles C4'-P-C4' energy: -11.925
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -12.004
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: 9, replica: 7
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -191.360197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.360197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.427796 (E_RNA)
where:
Base-Base interactions energy: -138.138
where: short stacking energy: -59.364
Base-Backbone interact. energy: -0.001
local terms energy: -53.289202
where:
bonds (distance) C4'-P energy: -7.631
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -9.132
flat angles P-C4'-P energy: -8.424
tors. eta vs tors. theta energy: -14.052
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: 22
Temperature: 1.350000
Total energy: -182.722920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.722920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.100705 (E_RNA)
where:
Base-Base interactions energy: -129.676
where: short stacking energy: -54.773
Base-Backbone interact. energy: -2.017
local terms energy: -58.407100
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -7.922
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -14.517
Dist. restrs. and SS energy: 7.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -220.595933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.595933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.787101 (E_RNA)
where:
Base-Base interactions energy: -164.861
where: short stacking energy: -63.584
Base-Backbone interact. energy: -0.011
local terms energy: -55.914951
where:
bonds (distance) C4'-P energy: -9.569
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -2.171
tors. eta vs tors. theta energy: -15.615
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: 3
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -230.071814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.071814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.078110 (E_RNA)
where:
Base-Base interactions energy: -167.154
where: short stacking energy: -64.719
Base-Backbone interact. energy: -0.080
local terms energy: -62.843679
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -12.561
flat angles P-C4'-P energy: -4.939
tors. eta vs tors. theta energy: -15.533
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: 23
Temperature: 1.000000
Total energy: -215.575798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.575798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.586212 (E_RNA)
where:
Base-Base interactions energy: -150.426
where: short stacking energy: -63.129
Base-Backbone interact. energy: -0.000
local terms energy: -65.160449
where:
bonds (distance) C4'-P energy: -11.094
bonds (distance) P-C4' energy: -10.602
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -17.588
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: 23
Temperature: 1.050000
Total energy: -220.806514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.806514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.831137 (E_RNA)
where:
Base-Base interactions energy: -159.039
where: short stacking energy: -59.883
Base-Backbone interact. energy: -0.155
local terms energy: -61.637372
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: -14.556
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: 10
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -214.807543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.807543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.810125 (E_RNA)
where:
Base-Base interactions energy: -150.659
where: short stacking energy: -64.196
Base-Backbone interact. energy: -0.011
local terms energy: -64.140925
where:
bonds (distance) C4'-P energy: -7.548
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -16.581
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: 6, replica: 6
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -206.419589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.419589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.434711 (E_RNA)
where:
Base-Base interactions energy: -146.963
where: short stacking energy: -58.932
Base-Backbone interact. energy: -0.067
local terms energy: -59.404624
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -9.591
flat angles C4'-P-C4' energy: -11.816
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -16.760
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: 8
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -210.303103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.303103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.438282 (E_RNA)
where:
Base-Base interactions energy: -149.783
where: short stacking energy: -65.218
Base-Backbone interact. energy: -0.075
local terms energy: -60.580781
where:
bonds (distance) C4'-P energy: -10.058
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -16.239
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: 8, replica: 7
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -192.159354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.159354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.314260 (E_RNA)
where:
Base-Base interactions energy: -132.905
where: short stacking energy: -55.860
Base-Backbone interact. energy: -0.034
local terms energy: -59.375018
where:
bonds (distance) C4'-P energy: -9.724
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -12.964
flat angles P-C4'-P energy: -7.365
tors. eta vs tors. theta energy: -15.060
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: 9, replica: 5
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -175.969813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.969813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.524540 (E_RNA)
where:
Base-Base interactions energy: -126.753
where: short stacking energy: -53.905
Base-Backbone interact. energy: -0.187
local terms energy: -56.583951
where:
bonds (distance) C4'-P energy: -9.313
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -12.966
Dist. restrs. and SS energy: 7.555 (S_DIST_RNA)
chem. 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: -183.049433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.049433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.832574 (E_RNA)
where:
Base-Base interactions energy: -125.602
where: short stacking energy: -54.949
Base-Backbone interact. energy: -0.218
local terms energy: -64.013342
where:
bonds (distance) C4'-P energy: -12.396
bonds (distance) P-C4' energy: -9.862
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -16.963
Dist. restrs. and SS energy: 6.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -237.216967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.216967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.272551 (E_RNA)
where:
Base-Base interactions energy: -175.686
where: short stacking energy: -72.093
Base-Backbone interact. energy: -0.252
local terms energy: -61.334169
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -2.131
tors. eta vs tors. theta energy: -17.928
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: 2
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -219.690152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.690152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.895632 (E_RNA)
where:
Base-Base interactions energy: -158.989
where: short stacking energy: -60.460
Base-Backbone interact. energy: 0.680
local terms energy: -61.586043
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -14.068
flat angles P-C4'-P energy: -7.329
tors. eta vs tors. theta energy: -13.270
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: 3, replica: 9
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -218.493203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.493203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.496421 (E_RNA)
where:
Base-Base interactions energy: -156.997
where: short stacking energy: -64.284
Base-Backbone interact. energy: 1.780
local terms energy: -63.278860
where:
bonds (distance) C4'-P energy: -8.332
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -11.176
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -18.442
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: 1
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -208.252342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.252342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.390009 (E_RNA)
where:
Base-Base interactions energy: -149.334
where: short stacking energy: -54.304
Base-Backbone interact. energy: 0.510
local terms energy: -59.566197
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -5.644
tors. eta vs tors. theta energy: -13.779
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: 6
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -202.543549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.543549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.647993 (E_RNA)
where:
Base-Base interactions energy: -143.805
where: short stacking energy: -59.326
Base-Backbone interact. energy: -0.077
local terms energy: -58.765770
where:
bonds (distance) C4'-P energy: -9.359
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -9.619
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -15.903
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: 10
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -198.829367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.829367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.922656 (E_RNA)
where:
Base-Base interactions energy: -132.394
where: short stacking energy: -53.585
Base-Backbone interact. energy: -0.066
local terms energy: -66.462216
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -13.351
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: 8
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -202.359521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.359521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.383356 (E_RNA)
where:
Base-Base interactions energy: -140.746
where: short stacking energy: -57.384
Base-Backbone interact. energy: 1.515
local terms energy: -63.152111
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -12.811
flat angles C4'-P-C4' energy: -11.936
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -15.983
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: 8, replica: 7
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -200.161126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.161126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.272799 (E_RNA)
where:
Base-Base interactions energy: -138.204
where: short stacking energy: -55.267
Base-Backbone interact. energy: -0.053
local terms energy: -62.016148
where:
bonds (distance) C4'-P energy: -11.854
bonds (distance) P-C4' energy: -11.626
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -7.318
tors. eta vs tors. theta energy: -16.874
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: 4
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -178.109900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.109900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.840554 (E_RNA)
where:
Base-Base interactions energy: -126.564
where: short stacking energy: -54.054
Base-Backbone interact. energy: -1.341
local terms energy: -58.935465
where:
bonds (distance) C4'-P energy: -8.104
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -15.332
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: 10, replica: 5
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -180.153295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.153295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.467477 (E_RNA)
where:
Base-Base interactions energy: -131.007
where: short stacking energy: -53.684
Base-Backbone interact. energy: -0.358
local terms energy: -56.101816
where:
bonds (distance) C4'-P energy: -8.372
bonds (distance) P-C4' energy: -10.772
flat angles C4'-P-C4' energy: -11.470
flat angles P-C4'-P energy: -10.780
tors. eta vs tors. theta energy: -14.709
Dist. restrs. and SS energy: 7.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -236.553351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.553351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.579671 (E_RNA)
where:
Base-Base interactions energy: -175.390
where: short stacking energy: -68.833
Base-Backbone interact. energy: -0.133
local terms energy: -61.057090
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -15.232
flat angles C4'-P-C4' energy: -11.597
flat angles P-C4'-P energy: -4.121
tors. eta vs tors. theta energy: -16.406
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: 9
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -213.919030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.919030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.048548 (E_RNA)
where:
Base-Base interactions energy: -145.118
where: short stacking energy: -59.548
Base-Backbone interact. energy: -0.005
local terms energy: -68.925743
where:
bonds (distance) C4'-P energy: -15.161
bonds (distance) P-C4' energy: -12.173
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -18.204
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: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -213.473279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.473279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.473279 (E_RNA)
where:
Base-Base interactions energy: -150.911
where: short stacking energy: -61.448
Base-Backbone interact. energy: -0.004
local terms energy: -62.558497
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -13.740
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -216.855484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.855484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.857042 (E_RNA)
where:
Base-Base interactions energy: -160.157
where: short stacking energy: -63.646
Base-Backbone interact. energy: -0.003
local terms energy: -56.697040
where:
bonds (distance) C4'-P energy: -10.352
bonds (distance) P-C4' energy: -8.591
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: -16.124
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: 25
Temperature: 1.100000
Total energy: -213.960019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.960019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.111673 (E_RNA)
where:
Base-Base interactions energy: -156.509
where: short stacking energy: -62.939
Base-Backbone interact. energy: -0.323
local terms energy: -57.278763
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -8.400
flat angles C4'-P-C4' energy: -10.934
flat angles P-C4'-P energy: -6.764
tors. eta vs tors. theta energy: -17.135
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: 6, replica: 8
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -216.962887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.962887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.027187 (E_RNA)
where:
Base-Base interactions energy: -146.748
where: short stacking energy: -66.817
Base-Backbone interact. energy: -0.003
local terms energy: -70.275853
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -11.958
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: -19.981
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: 10
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -210.411975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.411975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.621572 (E_RNA)
where:
Base-Base interactions energy: -160.231
where: short stacking energy: -64.742
Base-Backbone interact. energy: -0.009
local terms energy: -50.381994
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -9.744
flat angles C4'-P-C4' energy: -11.508
flat angles P-C4'-P energy: 0.167
tors. eta vs tors. theta energy: -17.075
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: 8, replica: 7
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -194.837020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.837020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.876462 (E_RNA)
where:
Base-Base interactions energy: -138.077
where: short stacking energy: -54.264
Base-Backbone interact. energy: -0.044
local terms energy: -56.755298
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -3.693
tors. eta vs tors. theta energy: -13.176
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: 9, replica: 4
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -198.483913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.483913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.290545 (E_RNA)
where:
Base-Base interactions energy: -136.410
where: short stacking energy: -56.433
Base-Backbone interact. energy: -0.508
local terms energy: -69.372305
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -16.458
Dist. restrs. and SS energy: 7.807 (S_DIST_RNA)
chem. 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: -172.044340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.044340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.990728 (E_RNA)
where:
Base-Base interactions energy: -129.001
where: short stacking energy: -55.360
Base-Backbone interact. energy: -2.112
local terms energy: -48.877084
where:
bonds (distance) C4'-P energy: -9.202
bonds (distance) P-C4' energy: -9.796
flat angles C4'-P-C4' energy: -9.445
flat angles P-C4'-P energy: -5.394
tors. eta vs tors. theta energy: -15.040
Dist. restrs. and SS energy: 7.946 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -239.283549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.283549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.283549 (E_RNA)
where:
Base-Base interactions energy: -175.112
where: short stacking energy: -72.612
Base-Backbone interact. energy: -0.016
local terms energy: -64.155540
where:
bonds (distance) C4'-P energy: -12.797
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -13.168
flat angles P-C4'-P energy: -6.459
tors. eta vs tors. theta energy: -17.650
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: 9
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -214.778692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.778692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.907875 (E_RNA)
where:
Base-Base interactions energy: -145.594
where: short stacking energy: -57.575
Base-Backbone interact. energy: -0.580
local terms energy: -68.734486
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -15.191
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: 3, replica: 2
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -219.725704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.725704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.725704 (E_RNA)
where:
Base-Base interactions energy: -152.792
where: short stacking energy: -63.506
Base-Backbone interact. energy: -0.281
local terms energy: -66.653500
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -11.446
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -18.423
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -220.353074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.353074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.412125 (E_RNA)
where:
Base-Base interactions energy: -159.873
where: short stacking energy: -65.944
Base-Backbone interact. energy: -0.894
local terms energy: -59.645172
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -11.242
flat angles P-C4'-P energy: -1.869
tors. eta vs tors. theta energy: -16.933
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: 8
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -211.561070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.561070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.661223 (E_RNA)
where:
Base-Base interactions energy: -149.232
where: short stacking energy: -63.140
Base-Backbone interact. energy: 0.021
local terms energy: -62.450138
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -11.465
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: -17.208
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: 1
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -209.953606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.953606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.963762 (E_RNA)
where:
Base-Base interactions energy: -151.007
where: short stacking energy: -66.451
Base-Backbone interact. energy: -0.009
local terms energy: -58.948203
where:
bonds (distance) C4'-P energy: -8.775
bonds (distance) P-C4' energy: -8.599
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -17.640
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: 7
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -198.049629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.049629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.107254 (E_RNA)
where:
Base-Base interactions energy: -145.371
where: short stacking energy: -59.908
Base-Backbone interact. energy: -0.103
local terms energy: -52.632689
where:
bonds (distance) C4'-P energy: -7.333
bonds (distance) P-C4' energy: -11.766
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -7.855
tors. eta vs tors. theta energy: -11.593
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: 10
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -203.692418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.692418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.952099 (E_RNA)
where:
Base-Base interactions energy: -137.656
where: short stacking energy: -54.081
Base-Backbone interact. energy: 0.425
local terms energy: -66.720399
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -15.425
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -14.042
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: 9, replica: 5
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -176.018405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.018405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.585959 (E_RNA)
where:
Base-Base interactions energy: -124.496
where: short stacking energy: -55.767
Base-Backbone interact. energy: -0.892
local terms energy: -58.198000
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -9.676
flat angles C4'-P-C4' energy: -10.877
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -15.025
Dist. restrs. and SS energy: 7.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -178.245579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.245579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.287779 (E_RNA)
where:
Base-Base interactions energy: -138.888
where: short stacking energy: -54.037
Base-Backbone interact. energy: -0.887
local terms energy: -45.513129
where:
bonds (distance) C4'-P energy: -5.776
bonds (distance) P-C4' energy: -8.797
flat angles C4'-P-C4' energy: -10.032
flat angles P-C4'-P energy: -5.025
tors. eta vs tors. theta energy: -15.884
Dist. restrs. and SS energy: 7.042 (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: 27
Temperature: 0.900000
Total energy: -238.684000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.684000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.738829 (E_RNA)
where:
Base-Base interactions energy: -177.096
where: short stacking energy: -72.257
Base-Backbone interact. energy: -0.592
local terms energy: -61.050350
where:
bonds (distance) C4'-P energy: -11.811
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -4.391
tors. eta vs tors. theta energy: -17.476
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: 9
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -220.128994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.128994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.185727 (E_RNA)
where:
Base-Base interactions energy: -150.395
where: short stacking energy: -64.771
Base-Backbone interact. energy: -0.245
local terms energy: -69.545401
where:
bonds (distance) C4'-P energy: -11.284
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: -17.196
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: 2
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -214.701972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.701972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.759555 (E_RNA)
where:
Base-Base interactions energy: -147.777
where: short stacking energy: -64.545
Base-Backbone interact. energy: -0.583
local terms energy: -66.398644
where:
bonds (distance) C4'-P energy: -10.862
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -17.850
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: 8
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -215.427852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.427852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.427852 (E_RNA)
where:
Base-Base interactions energy: -149.787
where: short stacking energy: -60.456
Base-Backbone interact. energy: -0.004
local terms energy: -65.637232
where:
bonds (distance) C4'-P energy: -10.417
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -17.211
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -210.145298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.145298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.155126 (E_RNA)
where:
Base-Base interactions energy: -148.199
where: short stacking energy: -58.227
Base-Backbone interact. energy: -0.177
local terms energy: -61.779304
where:
bonds (distance) C4'-P energy: -9.505
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -7.428
tors. eta vs tors. theta energy: -15.969
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: 7
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -211.193584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.193584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.282159 (E_RNA)
where:
Base-Base interactions energy: -147.769
where: short stacking energy: -62.455
Base-Backbone interact. energy: 0.674
local terms energy: -64.186663
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -7.884
tors. eta vs tors. theta energy: -13.873
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: 1
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -201.778470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.778470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.015186 (E_RNA)
where:
Base-Base interactions energy: -140.709
where: short stacking energy: -58.757
Base-Backbone interact. energy: -0.014
local terms energy: -61.292222
where:
bonds (distance) C4'-P energy: -10.215
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -12.904
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: 10
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -200.755752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.755752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.163877 (E_RNA)
where:
Base-Base interactions energy: -133.969
where: short stacking energy: -54.658
Base-Backbone interact. energy: -0.002
local terms energy: -67.192067
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -12.372
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -17.223
Dist. restrs. and SS energy: 0.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -176.314782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.314782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.087863 (E_RNA)
where:
Base-Base interactions energy: -129.447
where: short stacking energy: -50.942
Base-Backbone interact. energy: -0.731
local terms energy: -52.909930
where:
bonds (distance) C4'-P energy: -10.541
bonds (distance) P-C4' energy: -7.116
flat angles C4'-P-C4' energy: -12.381
flat angles P-C4'-P energy: -7.874
tors. eta vs tors. theta energy: -14.998
Dist. restrs. and SS energy: 6.773 (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: 27
Temperature: 1.350000
Total energy: -180.571898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.571898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.608798 (E_RNA)
where:
Base-Base interactions energy: -131.452
where: short stacking energy: -52.169
Base-Backbone interact. energy: -1.848
local terms energy: -55.308498
where:
bonds (distance) C4'-P energy: -10.671
bonds (distance) P-C4' energy: -16.002
flat angles C4'-P-C4' energy: -10.477
flat angles P-C4'-P energy: -0.491
tors. eta vs tors. theta energy: -17.669
Dist. restrs. and SS energy: 8.037 (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: 28
Temperature: 0.900000
Total energy: -237.778659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.778659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.827551 (E_RNA)
where:
Base-Base interactions energy: -175.079
where: short stacking energy: -74.123
Base-Backbone interact. energy: -0.416
local terms energy: -62.332562
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -11.438
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -4.381
tors. eta vs tors. theta energy: -19.064
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: 9
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -224.352330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.352330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.440132 (E_RNA)
where:
Base-Base interactions energy: -158.146
where: short stacking energy: -68.774
Base-Backbone interact. energy: -0.128
local terms energy: -66.165564
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -7.190
tors. eta vs tors. theta energy: -15.786
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: 8
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -214.870414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.870414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.022990 (E_RNA)
where:
Base-Base interactions energy: -152.945
where: short stacking energy: -63.925
Base-Backbone interact. energy: -0.061
local terms energy: -62.017456
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -11.855
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -15.678
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: 2
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -210.704521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.704521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.751509 (E_RNA)
where:
Base-Base interactions energy: -146.373
where: short stacking energy: -59.831
Base-Backbone interact. energy: -0.010
local terms energy: -64.368155
where:
bonds (distance) C4'-P energy: -11.518
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -7.763
tors. eta vs tors. theta energy: -15.968
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: 28
Temperature: 1.100000
Total energy: -204.273706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.273706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.362272 (E_RNA)
where:
Base-Base interactions energy: -145.655
where: short stacking energy: -63.658
Base-Backbone interact. energy: -0.001
local terms energy: -58.705814
where:
bonds (distance) C4'-P energy: -5.512
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -7.416
tors. eta vs tors. theta energy: -17.574
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: 6
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -202.402153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.402153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.424640 (E_RNA)
where:
Base-Base interactions energy: -138.344
where: short stacking energy: -55.466
Base-Backbone interact. energy: -0.031
local terms energy: -64.050009
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -3.969
tors. eta vs tors. theta energy: -18.974
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: 7, replica: 10
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -195.147679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.147679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.185591 (E_RNA)
where:
Base-Base interactions energy: -139.872
where: short stacking energy: -54.098
Base-Backbone interact. energy: 0.043
local terms energy: -55.356380
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -12.138
flat angles C4'-P-C4' energy: -9.743
flat angles P-C4'-P energy: -6.139
tors. eta vs tors. theta energy: -13.517
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: 1
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -206.295875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.295875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.429455 (E_RNA)
where:
Base-Base interactions energy: -154.707
where: short stacking energy: -57.312
Base-Backbone interact. energy: -0.014
local terms energy: -51.708437
where:
bonds (distance) C4'-P energy: -7.754
bonds (distance) P-C4' energy: -11.671
flat angles C4'-P-C4' energy: -9.630
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -13.089
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: 4
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -184.978112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.978112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.486772 (E_RNA)
where:
Base-Base interactions energy: -134.392
where: short stacking energy: -59.601
Base-Backbone interact. energy: -0.022
local terms energy: -57.073200
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -11.355
flat angles C4'-P-C4' energy: -9.833
flat angles P-C4'-P energy: -8.399
tors. eta vs tors. theta energy: -16.657
Dist. restrs. and SS energy: 6.509 (S_DIST_RNA)
chem. 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: -174.885673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.885673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.488533 (E_RNA)
where:
Base-Base interactions energy: -131.817
where: short stacking energy: -56.485
Base-Backbone interact. energy: 0.058
local terms energy: -52.729092
where:
bonds (distance) C4'-P energy: -5.956
bonds (distance) P-C4' energy: -10.663
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -8.685
tors. eta vs tors. theta energy: -14.177
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: 29
Temperature: 0.900000
Total energy: -236.137880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.137880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.142667 (E_RNA)
where:
Base-Base interactions energy: -172.181
where: short stacking energy: -70.810
Base-Backbone interact. energy: -0.005
local terms energy: -63.956613
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -4.561
tors. eta vs tors. theta energy: -18.817
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: 9
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -215.028334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.028334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.203444 (E_RNA)
where:
Base-Base interactions energy: -147.909
where: short stacking energy: -55.706
Base-Backbone interact. energy: -0.305
local terms energy: -66.989387
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -11.844
tors. eta vs tors. theta energy: -12.790
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: 8
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -214.957201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.957201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.012995 (E_RNA)
where:
Base-Base interactions energy: -149.514
where: short stacking energy: -60.065
Base-Backbone interact. energy: -0.132
local terms energy: -65.367222
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: -15.674
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: 7
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -212.264240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.264240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.284224 (E_RNA)
where:
Base-Base interactions energy: -143.892
where: short stacking energy: -58.658
Base-Backbone interact. energy: -0.060
local terms energy: -68.332205
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -13.195
tors. eta vs tors. theta energy: -13.817
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: 2
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -209.202323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.202323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.247848 (E_RNA)
where:
Base-Base interactions energy: -145.533
where: short stacking energy: -58.935
Base-Backbone interact. energy: -0.003
local terms energy: -63.711616
where:
bonds (distance) C4'-P energy: -10.745
bonds (distance) P-C4' energy: -9.691
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -12.249
tors. eta vs tors. theta energy: -17.793
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: 10
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -206.872014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.872014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.936249 (E_RNA)
where:
Base-Base interactions energy: -141.167
where: short stacking energy: -56.589
Base-Backbone interact. energy: -0.243
local terms energy: -65.525455
where:
bonds (distance) C4'-P energy: -11.088
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -15.118
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: 6
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -201.799968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.799968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.800321 (E_RNA)
where:
Base-Base interactions energy: -143.925
where: short stacking energy: -56.625
Base-Backbone interact. energy: -0.001
local terms energy: -57.874123
where:
bonds (distance) C4'-P energy: -10.984
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -10.926
flat angles P-C4'-P energy: -6.872
tors. eta vs tors. theta energy: -14.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -197.221472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.221472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.244328 (E_RNA)
where:
Base-Base interactions energy: -136.653
where: short stacking energy: -50.209
Base-Backbone interact. energy: -0.146
local terms energy: -60.445960
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -8.877
tors. eta vs tors. theta energy: -11.584
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: 4
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -172.907257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.907257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.256396 (E_RNA)
where:
Base-Base interactions energy: -129.151
where: short stacking energy: -57.095
Base-Backbone interact. energy: -0.042
local terms energy: -50.063458
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -11.637
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -2.584
tors. eta vs tors. theta energy: -13.058
Dist. restrs. and SS energy: 6.349 (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: 5
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -167.540171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.540171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.375287 (E_RNA)
where:
Base-Base interactions energy: -115.205
where: short stacking energy: -48.275
Base-Backbone interact. energy: -0.004
local terms energy: -60.166482
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -12.582
Dist. restrs. and SS energy: 7.835 (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: 3
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -224.289323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.289323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.303411 (E_RNA)
where:
Base-Base interactions energy: -166.413
where: short stacking energy: -62.400
Base-Backbone interact. energy: 0.398
local terms energy: -58.288174
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -11.370
flat angles C4'-P-C4' energy: -12.514
flat angles P-C4'-P energy: -6.493
tors. eta vs tors. theta energy: -16.135
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: 30
Temperature: 0.950000
Total energy: -234.243264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.243264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.268227 (E_RNA)
where:
Base-Base interactions energy: -170.936
where: short stacking energy: -68.250
Base-Backbone interact. energy: -0.002
local terms energy: -63.330479
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -2.967
tors. eta vs tors. theta energy: -17.467
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: 30
Temperature: 1.000000
Total energy: -209.726258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.726258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.919529 (E_RNA)
where:
Base-Base interactions energy: -146.758
where: short stacking energy: -62.159
Base-Backbone interact. energy: -0.000
local terms energy: -63.161002
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -7.775
tors. eta vs tors. theta energy: -15.928
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: 30
Temperature: 1.050000
Total energy: -218.809616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.809616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.817534 (E_RNA)
where:
Base-Base interactions energy: -166.485
where: short stacking energy: -65.934
Base-Backbone interact. energy: -0.003
local terms energy: -52.329360
where:
bonds (distance) C4'-P energy: -6.617
bonds (distance) P-C4' energy: -12.059
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -3.728
tors. eta vs tors. theta energy: -15.837
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: 30
Temperature: 1.100000
Total energy: -213.549133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.549133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.582060 (E_RNA)
where:
Base-Base interactions energy: -158.440
where: short stacking energy: -56.880
Base-Backbone interact. energy: -0.035
local terms energy: -55.107592
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -11.566
flat angles C4'-P-C4' energy: -10.817
flat angles P-C4'-P energy: -5.423
tors. eta vs tors. theta energy: -15.521
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: 10
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -199.818312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.818312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.186499 (E_RNA)
where:
Base-Base interactions energy: -146.353
where: short stacking energy: -50.912
Base-Backbone interact. energy: -0.116
local terms energy: -53.717910
where:
bonds (distance) C4'-P energy: -7.926
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -11.704
flat angles P-C4'-P energy: -6.975
tors. eta vs tors. theta energy: -12.246
Dist. restrs. and SS energy: 0.368 (S_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: 30
Temperature: 1.200000
Total energy: -201.094283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.094283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.202984 (E_RNA)
where:
Base-Base interactions energy: -140.549
where: short stacking energy: -63.243
Base-Backbone interact. energy: -0.125
local terms energy: -60.528677
where:
bonds (distance) C4'-P energy: -11.466
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -10.995
flat angles P-C4'-P energy: -6.800
tors. eta vs tors. theta energy: -15.472
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: 30
Temperature: 1.250000
Total energy: -200.962319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.962319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.064240 (E_RNA)
where:
Base-Base interactions energy: -142.234
where: short stacking energy: -58.860
Base-Backbone interact. energy: 0.395
local terms energy: -59.225899
where:
bonds (distance) C4'-P energy: -11.183
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -4.549
tors. eta vs tors. theta energy: -14.303
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: 5
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -169.585411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.585411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.783190 (E_RNA)
where:
Base-Base interactions energy: -117.035
where: short stacking energy: -43.911
Base-Backbone interact. energy: -0.038
local terms energy: -59.710349
where:
bonds (distance) C4'-P energy: -11.210
bonds (distance) P-C4' energy: -11.999
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -14.612
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: 10, replica: 4
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -174.193924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.193924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.607885 (E_RNA)
where:
Base-Base interactions energy: -125.691
where: short stacking energy: -53.456
Base-Backbone interact. energy: 0.264
local terms energy: -54.180630
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -7.098
flat angles C4'-P-C4' energy: -9.305
flat angles P-C4'-P energy: -12.727
tors. eta vs tors. theta energy: -14.772
Dist. restrs. and SS energy: 5.414 (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: 3
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -219.522392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.522392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.561808 (E_RNA)
where:
Base-Base interactions energy: -148.517
where: short stacking energy: -60.360
Base-Backbone interact. energy: -1.938
local terms energy: -69.107345
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -16.403
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: 9
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -231.130289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.130289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.250339 (E_RNA)
where:
Base-Base interactions energy: -166.707
where: short stacking energy: -65.563
Base-Backbone interact. energy: -0.069
local terms energy: -64.474236
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -5.739
tors. eta vs tors. theta energy: -17.172
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: 7
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -215.497750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.497750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.563023 (E_RNA)
where:
Base-Base interactions energy: -154.204
where: short stacking energy: -60.430
Base-Backbone interact. energy: -0.123
local terms energy: -61.236505
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -5.928
tors. eta vs tors. theta energy: -14.308
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: 2
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -237.053795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.053795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.079456 (E_RNA)
where:
Base-Base interactions energy: -175.530
where: short stacking energy: -71.103
Base-Backbone interact. energy: -0.011
local terms energy: -61.538110
where:
bonds (distance) C4'-P energy: -11.555
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -3.005
tors. eta vs tors. theta energy: -16.071
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: 5, replica: 8
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -211.645758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.645758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.645758 (E_RNA)
where:
Base-Base interactions energy: -147.778
where: short stacking energy: -63.093
Base-Backbone interact. energy: -0.296
local terms energy: -63.571689
where:
bonds (distance) C4'-P energy: -10.120
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -5.521
tors. eta vs tors. theta energy: -16.401
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: 6, replica: 1
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -208.481456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.481456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.742384 (E_RNA)
where:
Base-Base interactions energy: -142.037
where: short stacking energy: -59.995
Base-Backbone interact. energy: -0.000
local terms energy: -66.704683
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -13.397
flat angles C4'-P-C4' energy: -14.041
flat angles P-C4'-P energy: -7.325
tors. eta vs tors. theta energy: -16.800
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: 10
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -204.432878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.432878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.442178 (E_RNA)
where:
Base-Base interactions energy: -139.565
where: short stacking energy: -50.929
Base-Backbone interact. energy: -0.342
local terms energy: -64.535408
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -6.969
tors. eta vs tors. theta energy: -17.300
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: 6
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -193.315941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.315941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.338642 (E_RNA)
where:
Base-Base interactions energy: -137.748
where: short stacking energy: -55.342
Base-Backbone interact. energy: -0.013
local terms energy: -55.577556
where:
bonds (distance) C4'-P energy: -8.261
bonds (distance) P-C4' energy: -12.274
flat angles C4'-P-C4' energy: -10.611
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -14.522
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: 31
Temperature: 1.300000
Total energy: -179.580325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.580325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.656544 (E_RNA)
where:
Base-Base interactions energy: -129.815
where: short stacking energy: -59.040
Base-Backbone interact. energy: -0.062
local terms energy: -58.779417
where:
bonds (distance) C4'-P energy: -9.644
bonds (distance) P-C4' energy: -10.179
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -17.110
Dist. restrs. and SS energy: 9.076 (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: 31
Temperature: 1.350000
Total energy: -180.287679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.287679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.509381 (E_RNA)
where:
Base-Base interactions energy: -129.637
where: short stacking energy: -61.268
Base-Backbone interact. energy: -1.236
local terms energy: -58.636635
where:
bonds (distance) C4'-P energy: -10.423
bonds (distance) P-C4' energy: -12.561
flat angles C4'-P-C4' energy: -12.579
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -14.456
Dist. restrs. and SS energy: 9.222 (S_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: 32
Temperature: 0.900000
Total energy: -232.212552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.212552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.212552 (E_RNA)
where:
Base-Base interactions energy: -167.729
where: short stacking energy: -65.581
Base-Backbone interact. energy: -0.005
local terms energy: -64.478169
where:
bonds (distance) C4'-P energy: -12.369
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -5.608
tors. eta vs tors. theta energy: -18.822
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -219.083413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.083413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.213374 (E_RNA)
where:
Base-Base interactions energy: -146.511
where: short stacking energy: -60.781
Base-Backbone interact. energy: -0.004
local terms energy: -72.697910
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -19.590
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: 2
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -222.456230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.456230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.525343 (E_RNA)
where:
Base-Base interactions energy: -163.458
where: short stacking energy: -67.638
Base-Backbone interact. energy: -0.013
local terms energy: -59.054600
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -9.295
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -4.507
tors. eta vs tors. theta energy: -19.579
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: 7
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -219.495207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.495207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.598672 (E_RNA)
where:
Base-Base interactions energy: -167.513
where: short stacking energy: -64.989
Base-Backbone interact. energy: -0.028
local terms energy: -52.057938
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -9.332
flat angles C4'-P-C4' energy: -9.585
flat angles P-C4'-P energy: -6.581
tors. eta vs tors. theta energy: -12.805
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: 1
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -208.775762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.775762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.857368 (E_RNA)
where:
Base-Base interactions energy: -141.043
where: short stacking energy: -57.868
Base-Backbone interact. energy: -0.006
local terms energy: -67.808460
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -11.670
flat angles P-C4'-P energy: -12.060
tors. eta vs tors. theta energy: -17.871
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: 32
Temperature: 1.150000
Total energy: -207.075630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.075630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.137762 (E_RNA)
where:
Base-Base interactions energy: -144.881
where: short stacking energy: -54.473
Base-Backbone interact. energy: -0.013
local terms energy: -62.244337
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -6.358
tors. eta vs tors. theta energy: -14.343
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: 6
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -201.627920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.627920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.643490 (E_RNA)
where:
Base-Base interactions energy: -146.916
where: short stacking energy: -64.941
Base-Backbone interact. energy: -0.001
local terms energy: -54.726846
where:
bonds (distance) C4'-P energy: -7.851
bonds (distance) P-C4' energy: -12.460
flat angles C4'-P-C4' energy: -12.051
flat angles P-C4'-P energy: -7.960
tors. eta vs tors. theta energy: -14.405
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: 10
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -201.515842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.515842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.561716 (E_RNA)
where:
Base-Base interactions energy: -141.996
where: short stacking energy: -56.453
Base-Backbone interact. energy: -0.092
local terms energy: -59.474375
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -12.233
flat angles P-C4'-P energy: -8.823
tors. eta vs tors. theta energy: -11.361
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: 9, replica: 5
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -171.530095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.530095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.475993 (E_RNA)
where:
Base-Base interactions energy: -120.574
where: short stacking energy: -51.118
Base-Backbone interact. energy: -0.117
local terms energy: -58.784894
where:
bonds (distance) C4'-P energy: -10.443
bonds (distance) P-C4' energy: -12.692
flat angles C4'-P-C4' energy: -11.794
flat angles P-C4'-P energy: -12.114
tors. eta vs tors. theta energy: -11.742
Dist. restrs. and SS energy: 7.946 (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: 4
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -172.967814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.967814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.116861 (E_RNA)
where:
Base-Base interactions energy: -122.959
where: short stacking energy: -50.296
Base-Backbone interact. energy: -0.662
local terms energy: -58.495937
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -11.710
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -6.953
tors. eta vs tors. theta energy: -12.480
Dist. restrs. and SS energy: 9.149 (S_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: 33
Temperature: 0.900000
Total energy: -218.014228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.014228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.034158 (E_RNA)
where:
Base-Base interactions energy: -156.666
where: short stacking energy: -67.695
Base-Backbone interact. energy: -0.010
local terms energy: -61.358050
where:
bonds (distance) C4'-P energy: -12.775
bonds (distance) P-C4' energy: -10.715
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -5.608
tors. eta vs tors. theta energy: -18.963
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: 3
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -216.370445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.370445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.492521 (E_RNA)
where:
Base-Base interactions energy: -151.785
where: short stacking energy: -58.829
Base-Backbone interact. energy: -0.006
local terms energy: -64.701123
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -13.050
flat angles P-C4'-P energy: -6.814
tors. eta vs tors. theta energy: -16.452
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: 3, replica: 2
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -219.515376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.515376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.516924 (E_RNA)
where:
Base-Base interactions energy: -151.472
where: short stacking energy: -61.896
Base-Backbone interact. energy: 1.624
local terms energy: -69.668312
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: -15.581
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: 1
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -213.434354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.434354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.443953 (E_RNA)
where:
Base-Base interactions energy: -145.236
where: short stacking energy: -56.917
Base-Backbone interact. energy: -0.024
local terms energy: -68.184004
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -11.274
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: -14.173
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: 33
Temperature: 1.100000
Total energy: -217.961439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.961439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.977365 (E_RNA)
where:
Base-Base interactions energy: -153.852
where: short stacking energy: -60.470
Base-Backbone interact. energy: -0.000
local terms energy: -64.125390
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -11.517
flat angles P-C4'-P energy: -5.087
tors. eta vs tors. theta energy: -18.948
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: 6
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -205.027019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.027019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.214700 (E_RNA)
where:
Base-Base interactions energy: -152.181
where: short stacking energy: -61.993
Base-Backbone interact. energy: -0.000
local terms energy: -53.033181
where:
bonds (distance) C4'-P energy: -10.373
bonds (distance) P-C4' energy: -10.821
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: -4.436
tors. eta vs tors. theta energy: -13.677
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: 7, replica: 8
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -209.152788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.152788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.226528 (E_RNA)
where:
Base-Base interactions energy: -142.707
where: short stacking energy: -57.053
Base-Backbone interact. energy: -0.006
local terms energy: -66.513988
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -16.144
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: 10
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -192.674006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.674006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.856998 (E_RNA)
where:
Base-Base interactions energy: -139.367
where: short stacking energy: -53.501
Base-Backbone interact. energy: 0.844
local terms energy: -54.333442
where:
bonds (distance) C4'-P energy: -11.692
bonds (distance) P-C4' energy: -11.665
flat angles C4'-P-C4' energy: -9.228
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -12.933
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: 9, replica: 5
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -183.051882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.051882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.193792 (E_RNA)
where:
Base-Base interactions energy: -130.916
where: short stacking energy: -53.469
Base-Backbone interact. energy: -1.618
local terms energy: -58.660406
where:
bonds (distance) C4'-P energy: -9.879
bonds (distance) P-C4' energy: -12.374
flat angles C4'-P-C4' energy: -12.793
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -14.795
Dist. restrs. and SS energy: 8.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -169.697748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.697748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.736195 (E_RNA)
where:
Base-Base interactions energy: -119.156
where: short stacking energy: -53.452
Base-Backbone interact. energy: -0.008
local terms energy: -58.572109
where:
bonds (distance) C4'-P energy: -9.581
bonds (distance) P-C4' energy: -11.090
flat angles C4'-P-C4' energy: -11.102
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -15.677
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: 1, replica: 9
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -217.627415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.627415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.714520 (E_RNA)
where:
Base-Base interactions energy: -150.267
where: short stacking energy: -63.377
Base-Backbone interact. energy: -0.412
local terms energy: -67.036198
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -12.182
tors. eta vs tors. theta energy: -17.402
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: 34
Temperature: 0.950000
Total energy: -216.233577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.233577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.372657 (E_RNA)
where:
Base-Base interactions energy: -149.769
where: short stacking energy: -64.139
Base-Backbone interact. energy: -0.001
local terms energy: -66.602518
where:
bonds (distance) C4'-P energy: -10.718
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -19.495
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: 1
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -215.320744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.320744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.345456 (E_RNA)
where:
Base-Base interactions energy: -150.581
where: short stacking energy: -67.942
Base-Backbone interact. energy: -0.056
local terms energy: -64.708206
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -11.439
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -10.805
tors. eta vs tors. theta energy: -16.475
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: 2
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -220.521391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.521391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.607960 (E_RNA)
where:
Base-Base interactions energy: -162.831
where: short stacking energy: -63.788
Base-Backbone interact. energy: -0.337
local terms energy: -57.439965
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -3.272
tors. eta vs tors. theta energy: -16.388
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: 6
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -206.259076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.259076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.413445 (E_RNA)
where:
Base-Base interactions energy: -144.063
where: short stacking energy: -56.749
Base-Backbone interact. energy: -0.031
local terms energy: -62.319269
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -12.542
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: -12.836
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: 7
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -204.019813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.019813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.122319 (E_RNA)
where:
Base-Base interactions energy: -135.760
where: short stacking energy: -56.362
Base-Backbone interact. energy: -0.000
local terms energy: -68.362485
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -19.004
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: 8
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -200.510706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.510706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.672122 (E_RNA)
where:
Base-Base interactions energy: -145.073
where: short stacking energy: -58.096
Base-Backbone interact. energy: 1.401
local terms energy: -56.999469
where:
bonds (distance) C4'-P energy: -8.940
bonds (distance) P-C4' energy: -11.591
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -13.382
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: 10
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -199.143352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.143352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.261755 (E_RNA)
where:
Base-Base interactions energy: -146.422
where: short stacking energy: -60.012
Base-Backbone interact. energy: -0.003
local terms energy: -52.837239
where:
bonds (distance) C4'-P energy: -11.454
bonds (distance) P-C4' energy: -10.638
flat angles C4'-P-C4' energy: -10.882
flat angles P-C4'-P energy: -8.557
tors. eta vs tors. theta energy: -11.305
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: 34
Temperature: 1.300000
Total energy: -172.804174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.804174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.671188 (E_RNA)
where:
Base-Base interactions energy: -125.302
where: short stacking energy: -56.855
Base-Backbone interact. energy: -0.004
local terms energy: -54.364822
where:
bonds (distance) C4'-P energy: -7.383
bonds (distance) P-C4' energy: -12.797
flat angles C4'-P-C4' energy: -11.896
flat angles P-C4'-P energy: -8.312
tors. eta vs tors. theta energy: -13.977
Dist. restrs. and SS energy: 6.867 (S_DIST_RNA)
chem. 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: -171.466233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.466233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.714190 (E_RNA)
where:
Base-Base interactions energy: -122.062
where: short stacking energy: -50.829
Base-Backbone interact. energy: -0.081
local terms energy: -57.571714
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -16.236
flat angles C4'-P-C4' energy: -11.297
flat angles P-C4'-P energy: -4.172
tors. eta vs tors. theta energy: -13.387
Dist. restrs. and SS energy: 8.248 (S_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: 35
Temperature: 0.900000
Total energy: -224.493645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.493645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.493645 (E_RNA)
where:
Base-Base interactions energy: -155.660
where: short stacking energy: -68.318
Base-Backbone interact. energy: -0.001
local terms energy: -68.832327
where:
bonds (distance) C4'-P energy: -11.998
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -17.174
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -221.007550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.007550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.141733 (E_RNA)
where:
Base-Base interactions energy: -152.701
where: short stacking energy: -66.655
Base-Backbone interact. energy: -0.002
local terms energy: -68.438581
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -16.016
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -13.342
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: 3
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -215.549698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.549698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.693263 (E_RNA)
where:
Base-Base interactions energy: -149.081
where: short stacking energy: -65.348
Base-Backbone interact. energy: 0.024
local terms energy: -66.635825
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -6.822
tors. eta vs tors. theta energy: -17.550
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: 4, replica: 6
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -204.134477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.134477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.165355 (E_RNA)
where:
Base-Base interactions energy: -140.899
where: short stacking energy: -59.808
Base-Backbone interact. energy: -0.372
local terms energy: -62.894426
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -10.747
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -15.624
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: 35
Temperature: 1.100000
Total energy: -217.968165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.968165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.976503 (E_RNA)
where:
Base-Base interactions energy: -158.345
where: short stacking energy: -64.005
Base-Backbone interact. energy: -0.395
local terms energy: -59.236841
where:
bonds (distance) C4'-P energy: -9.295
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -14.347
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: 8
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -202.859582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.859582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.859582 (E_RNA)
where:
Base-Base interactions energy: -142.372
where: short stacking energy: -58.485
Base-Backbone interact. energy: -0.108
local terms energy: -60.379947
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -10.376
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -16.173
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -200.539871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.539871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.550899 (E_RNA)
where:
Base-Base interactions energy: -144.962
where: short stacking energy: -56.172
Base-Backbone interact. energy: -0.033
local terms energy: -55.556026
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -9.737
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -6.053
tors. eta vs tors. theta energy: -13.030
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: 35
Temperature: 1.250000
Total energy: -178.058649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.058649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.104388 (E_RNA)
where:
Base-Base interactions energy: -131.652
where: short stacking energy: -61.606
Base-Backbone interact. energy: -0.027
local terms energy: -54.425477
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -6.210
flat angles C4'-P-C4' energy: -9.489
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -14.837
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: 9, replica: 10
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -193.202395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.202395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.324105 (E_RNA)
where:
Base-Base interactions energy: -129.070
where: short stacking energy: -47.374
Base-Backbone interact. energy: -0.297
local terms energy: -63.956981
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -13.265
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: 10, replica: 5
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -176.907922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.907922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.318967 (E_RNA)
where:
Base-Base interactions energy: -125.109
where: short stacking energy: -50.964
Base-Backbone interact. energy: -0.115
local terms energy: -59.094674
where:
bonds (distance) C4'-P energy: -13.417
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -12.243
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: -12.814
Dist. restrs. and SS energy: 7.411 (S_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: 36
Temperature: 0.900000
Total energy: -222.177013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.177013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.391352 (E_RNA)
where:
Base-Base interactions energy: -157.109
where: short stacking energy: -67.729
Base-Backbone interact. energy: -0.364
local terms energy: -64.919090
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -12.554
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: 2, replica: 9
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -215.084128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.084128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.171083 (E_RNA)
where:
Base-Base interactions energy: -151.001
where: short stacking energy: -66.188
Base-Backbone interact. energy: -0.002
local terms energy: -64.168760
where:
bonds (distance) C4'-P energy: -12.537
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -16.757
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: 3, replica: 6
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -215.517149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.517149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.558068 (E_RNA)
where:
Base-Base interactions energy: -148.346
where: short stacking energy: -64.330
Base-Backbone interact. energy: 0.561
local terms energy: -67.772555
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -11.820
tors. eta vs tors. theta energy: -17.679
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: 3
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -209.956976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.956976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.085288 (E_RNA)
where:
Base-Base interactions energy: -146.581
where: short stacking energy: -55.818
Base-Backbone interact. energy: 0.982
local terms energy: -64.486358
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -9.570
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -17.035
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: 5, replica: 8
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -207.736799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.736799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.799073 (E_RNA)
where:
Base-Base interactions energy: -140.011
where: short stacking energy: -61.626
Base-Backbone interact. energy: -0.004
local terms energy: -67.784870
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -12.228
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -11.874
tors. eta vs tors. theta energy: -16.847
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: 36
Temperature: 1.150000
Total energy: -202.728273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.728273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.802554 (E_RNA)
where:
Base-Base interactions energy: -146.495
where: short stacking energy: -63.237
Base-Backbone interact. energy: -0.165
local terms energy: -56.142457
where:
bonds (distance) C4'-P energy: -12.208
bonds (distance) P-C4' energy: -9.921
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -5.458
tors. eta vs tors. theta energy: -14.964
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: 36
Temperature: 1.200000
Total energy: -198.484590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.484590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.369484 (E_RNA)
where:
Base-Base interactions energy: -141.290
where: short stacking energy: -64.030
Base-Backbone interact. energy: -0.095
local terms energy: -64.984511
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -7.469
tors. eta vs tors. theta energy: -14.635
Dist. restrs. and SS energy: 7.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -196.820035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.820035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.820035 (E_RNA)
where:
Base-Base interactions energy: -138.978
where: short stacking energy: -55.694
Base-Backbone interact. energy: -0.085
local terms energy: -57.756272
where:
bonds (distance) C4'-P energy: -9.834
bonds (distance) P-C4' energy: -11.897
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -13.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -186.985264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.985264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.009141 (E_RNA)
where:
Base-Base interactions energy: -129.479
where: short stacking energy: -47.767
Base-Backbone interact. energy: -0.058
local terms energy: -57.472356
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -5.975
tors. eta vs tors. theta energy: -14.359
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: 10, replica: 5
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -168.752842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.752842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.083950 (E_RNA)
where:
Base-Base interactions energy: -127.837
where: short stacking energy: -55.843
Base-Backbone interact. energy: -0.632
local terms energy: -48.614682
where:
bonds (distance) C4'-P energy: -7.150
bonds (distance) P-C4' energy: -8.468
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -7.169
tors. eta vs tors. theta energy: -10.481
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: 1
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -230.977164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.977164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.983093 (E_RNA)
where:
Base-Base interactions energy: -171.828
where: short stacking energy: -70.110
Base-Backbone interact. energy: -0.084
local terms energy: -59.071501
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -7.990
flat angles P-C4'-P energy: -6.608
tors. eta vs tors. theta energy: -18.067
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: 37
Temperature: 0.950000
Total energy: -215.363533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.363533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.386535 (E_RNA)
where:
Base-Base interactions energy: -151.788
where: short stacking energy: -60.604
Base-Backbone interact. energy: -0.584
local terms energy: -63.014267
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -6.360
tors. eta vs tors. theta energy: -16.887
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: 9
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -219.428789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.428789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.428789 (E_RNA)
where:
Base-Base interactions energy: -162.165
where: short stacking energy: -65.649
Base-Backbone interact. energy: -0.025
local terms energy: -57.238374
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -4.567
tors. eta vs tors. theta energy: -15.089
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -205.429622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.429622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.496188 (E_RNA)
where:
Base-Base interactions energy: -146.260
where: short stacking energy: -58.035
Base-Backbone interact. energy: -0.027
local terms energy: -59.209281
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -11.194
flat angles P-C4'-P energy: -2.038
tors. eta vs tors. theta energy: -16.581
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: 3
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -204.890604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.890604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.890604 (E_RNA)
where:
Base-Base interactions energy: -148.115
where: short stacking energy: -61.069
Base-Backbone interact. energy: -0.084
local terms energy: -56.692059
where:
bonds (distance) C4'-P energy: -12.673
bonds (distance) P-C4' energy: -10.912
flat angles C4'-P-C4' energy: -12.191
flat angles P-C4'-P energy: -7.211
tors. eta vs tors. theta energy: -13.705
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -192.058525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.058525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.147705 (E_RNA)
where:
Base-Base interactions energy: -141.287
where: short stacking energy: -60.725
Base-Backbone interact. energy: -0.108
local terms energy: -57.752735
where:
bonds (distance) C4'-P energy: -6.531
bonds (distance) P-C4' energy: -13.193
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -6.640
tors. eta vs tors. theta energy: -17.686
Dist. restrs. and SS energy: 7.089 (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: 2
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -203.426401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.426401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.441151 (E_RNA)
where:
Base-Base interactions energy: -138.351
where: short stacking energy: -52.578
Base-Backbone interact. energy: -0.004
local terms energy: -65.086673
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -11.339
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -15.672
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: 10
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -192.745364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.745364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.905041 (E_RNA)
where:
Base-Base interactions energy: -132.440
where: short stacking energy: -50.361
Base-Backbone interact. energy: -0.222
local terms energy: -60.242965
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -13.667
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: 9, replica: 7
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -195.882801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.882801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.917981 (E_RNA)
where:
Base-Base interactions energy: -137.248
where: short stacking energy: -55.045
Base-Backbone interact. energy: 0.223
local terms energy: -58.892395
where:
bonds (distance) C4'-P energy: -12.913
bonds (distance) P-C4' energy: -8.548
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -6.072
tors. eta vs tors. theta energy: -18.762
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: 37
Temperature: 1.350000
Total energy: -179.140228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.140228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.488556 (E_RNA)
where:
Base-Base interactions energy: -128.685
where: short stacking energy: -54.882
Base-Backbone interact. energy: -0.030
local terms energy: -59.774083
where:
bonds (distance) C4'-P energy: -11.268
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -13.595
Dist. restrs. and SS energy: 9.348 (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: 6
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -223.451204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.451204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.451204 (E_RNA)
where:
Base-Base interactions energy: -156.299
where: short stacking energy: -69.287
Base-Backbone interact. energy: -0.278
local terms energy: -66.873801
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -6.927
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: 2, replica: 1
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -219.424807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.424807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.537593 (E_RNA)
where:
Base-Base interactions energy: -161.452
where: short stacking energy: -66.485
Base-Backbone interact. energy: -0.002
local terms energy: -58.083681
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -8.436
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -5.924
tors. eta vs tors. theta energy: -16.237
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: 9
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -218.626339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.626339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.741719 (E_RNA)
where:
Base-Base interactions energy: -159.034
where: short stacking energy: -61.898
Base-Backbone interact. energy: -0.155
local terms energy: -59.552337
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -12.081
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -3.896
tors. eta vs tors. theta energy: -17.006
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: 8
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -212.178116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.178116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.499206 (E_RNA)
where:
Base-Base interactions energy: -147.245
where: short stacking energy: -64.011
Base-Backbone interact. energy: -0.486
local terms energy: -64.768345
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -12.978
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: -14.473
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: 5, replica: 4
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -194.979975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.979975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.141200 (E_RNA)
where:
Base-Base interactions energy: -140.241
where: short stacking energy: -64.838
Base-Backbone interact. energy: -0.008
local terms energy: -61.891945
where:
bonds (distance) C4'-P energy: -9.587
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -16.996
Dist. restrs. and SS energy: 7.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -203.864627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.864627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.919270 (E_RNA)
where:
Base-Base interactions energy: -143.378
where: short stacking energy: -55.623
Base-Backbone interact. energy: -0.044
local terms energy: -60.497717
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -11.600
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -16.079
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: 10
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -202.377264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.377264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.384504 (E_RNA)
where:
Base-Base interactions energy: -139.996
where: short stacking energy: -55.949
Base-Backbone interact. energy: -0.150
local terms energy: -62.238564
where:
bonds (distance) C4'-P energy: -11.684
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -12.768
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: 2
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -201.571949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.571949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.587296 (E_RNA)
where:
Base-Base interactions energy: -137.807
where: short stacking energy: -56.190
Base-Backbone interact. energy: -0.031
local terms energy: -63.749282
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -12.123
flat angles C4'-P-C4' energy: -11.778
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -15.011
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: 38
Temperature: 1.300000
Total energy: -194.950735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.950735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.783046 (E_RNA)
where:
Base-Base interactions energy: -142.003
where: short stacking energy: -60.896
Base-Backbone interact. energy: -0.004
local terms energy: -60.775180
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -10.100
flat angles C4'-P-C4' energy: -11.126
flat angles P-C4'-P energy: -8.283
tors. eta vs tors. theta energy: -17.867
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: 7
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -187.502849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.502849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.597948 (E_RNA)
where:
Base-Base interactions energy: -131.486
where: short stacking energy: -49.557
Base-Backbone interact. energy: -0.004
local terms energy: -56.108327
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -12.292
flat angles P-C4'-P energy: -7.902
tors. eta vs tors. theta energy: -12.469
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: 1, replica: 6
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -228.685451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.685451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.695558 (E_RNA)
where:
Base-Base interactions energy: -167.043
where: short stacking energy: -66.452
Base-Backbone interact. energy: -0.410
local terms energy: -61.242678
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -2.660
tors. eta vs tors. theta energy: -17.709
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: 9
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -225.617491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.617491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.638679 (E_RNA)
where:
Base-Base interactions energy: -168.722
where: short stacking energy: -69.989
Base-Backbone interact. energy: 0.787
local terms energy: -57.703588
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -10.802
flat angles P-C4'-P energy: -2.755
tors. eta vs tors. theta energy: -15.639
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: 1
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -217.435594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.435594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.476379 (E_RNA)
where:
Base-Base interactions energy: -148.330
where: short stacking energy: -62.816
Base-Backbone interact. energy: -0.002
local terms energy: -69.144697
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -13.729
flat angles C4'-P-C4' energy: -12.964
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -17.995
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: 4
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -207.103984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.103984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.110379 (E_RNA)
where:
Base-Base interactions energy: -151.864
where: short stacking energy: -65.633
Base-Backbone interact. energy: -0.042
local terms energy: -63.204939
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -8.253
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -19.583
Dist. restrs. and SS energy: 8.006 (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: 39
Temperature: 1.100000
Total energy: -206.910660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.910660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.192533 (E_RNA)
where:
Base-Base interactions energy: -143.914
where: short stacking energy: -59.844
Base-Backbone interact. energy: 0.081
local terms energy: -63.360178
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -11.181
flat angles C4'-P-C4' energy: -10.986
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -16.999
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: 6, replica: 10
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -200.757731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.757731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.816906 (E_RNA)
where:
Base-Base interactions energy: -138.314
where: short stacking energy: -50.414
Base-Backbone interact. energy: -0.003
local terms energy: -62.500093
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -12.213
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -12.137
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: 7, replica: 3
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -201.528995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.528995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.666313 (E_RNA)
where:
Base-Base interactions energy: -137.296
where: short stacking energy: -56.821
Base-Backbone interact. energy: -0.070
local terms energy: -64.299547
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -9.258
tors. eta vs tors. theta energy: -14.042
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: 2
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -199.075343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.075343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.109592 (E_RNA)
where:
Base-Base interactions energy: -136.852
where: short stacking energy: -59.273
Base-Backbone interact. energy: -0.051
local terms energy: -62.206159
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -7.952
tors. eta vs tors. theta energy: -14.684
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: 5
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -176.082359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.082359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.751705 (E_RNA)
where:
Base-Base interactions energy: -138.739
where: short stacking energy: -57.732
Base-Backbone interact. energy: -0.391
local terms energy: -43.621035
where:
bonds (distance) C4'-P energy: -7.048
bonds (distance) P-C4' energy: -9.142
flat angles C4'-P-C4' energy: -8.786
flat angles P-C4'-P energy: -5.640
tors. eta vs tors. theta energy: -13.006
Dist. restrs. and SS energy: 6.669 (S_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: 39
Temperature: 1.350000
Total energy: -195.575175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.575175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.626284 (E_RNA)
where:
Base-Base interactions energy: -140.778
where: short stacking energy: -54.791
Base-Backbone interact. energy: -0.034
local terms energy: -54.814441
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -11.050
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -3.590
tors. eta vs tors. theta energy: -11.833
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: 1, replica: 6
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -229.791086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.791086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.813216 (E_RNA)
where:
Base-Base interactions energy: -167.127
where: short stacking energy: -66.469
Base-Backbone interact. energy: -0.273
local terms energy: -62.413159
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -11.007
flat angles P-C4'-P energy: -5.458
tors. eta vs tors. theta energy: -17.545
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: 40
Temperature: 0.950000
Total energy: -234.260191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.260191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.321405 (E_RNA)
where:
Base-Base interactions energy: -173.689
where: short stacking energy: -70.655
Base-Backbone interact. energy: -0.005
local terms energy: -60.626951
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -13.072
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -3.190
tors. eta vs tors. theta energy: -17.372
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: 1
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -230.255771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.255771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.264321 (E_RNA)
where:
Base-Base interactions energy: -168.963
where: short stacking energy: -68.427
Base-Backbone interact. energy: -0.012
local terms energy: -61.289671
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -2.946
tors. eta vs tors. theta energy: -17.787
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: 4
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -208.691713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.691713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.693398 (E_RNA)
where:
Base-Base interactions energy: -148.603
where: short stacking energy: -64.900
Base-Backbone interact. energy: -0.575
local terms energy: -67.515383
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -8.523
tors. eta vs tors. theta energy: -16.905
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: 5, replica: 8
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -229.904700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.904700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.951026 (E_RNA)
where:
Base-Base interactions energy: -172.001
where: short stacking energy: -69.682
Base-Backbone interact. energy: -0.437
local terms energy: -57.513072
where:
bonds (distance) C4'-P energy: -8.488
bonds (distance) P-C4' energy: -11.014
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -4.475
tors. eta vs tors. theta energy: -18.046
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: 10
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -205.547244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.547244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.612885 (E_RNA)
where:
Base-Base interactions energy: -139.006
where: short stacking energy: -59.903
Base-Backbone interact. energy: -0.143
local terms energy: -66.464039
where:
bonds (distance) C4'-P energy: -8.996
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -12.852
tors. eta vs tors. theta energy: -14.833
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: 2
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -199.662015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.662015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.852427 (E_RNA)
where:
Base-Base interactions energy: -142.639
where: short stacking energy: -59.037
Base-Backbone interact. energy: -0.005
local terms energy: -57.208379
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -10.703
flat angles C4'-P-C4' energy: -8.351
flat angles P-C4'-P energy: -8.052
tors. eta vs tors. theta energy: -17.001
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: 3
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -199.934158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.934158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.111667 (E_RNA)
where:
Base-Base interactions energy: -157.347
where: short stacking energy: -62.025
Base-Backbone interact. energy: -0.069
local terms energy: -42.694873
where:
bonds (distance) C4'-P energy: -8.887
bonds (distance) P-C4' energy: -13.421
flat angles C4'-P-C4' energy: -6.559
flat angles P-C4'-P energy: -4.203
tors. eta vs tors. theta energy: -9.625
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: 7
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -196.374795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.374795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.411833 (E_RNA)
where:
Base-Base interactions energy: -136.415
where: short stacking energy: -52.795
Base-Backbone interact. energy: -0.248
local terms energy: -59.748599
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -7.238
tors. eta vs tors. theta energy: -15.075
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: 40
Temperature: 1.350000
Total energy: -173.955528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.955528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.465415 (E_RNA)
where:
Base-Base interactions energy: -127.049
where: short stacking energy: -52.448
Base-Backbone interact. energy: -0.490
local terms energy: -54.925736
where:
bonds (distance) C4'-P energy: -9.520
bonds (distance) P-C4' energy: -8.583
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -8.044
tors. eta vs tors. theta energy: -13.801
Dist. restrs. and SS energy: 8.510 (S_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: 41
Temperature: 0.900000
Total energy: -229.440412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.440412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.525721 (E_RNA)
where:
Base-Base interactions energy: -171.743
where: short stacking energy: -68.985
Base-Backbone interact. energy: -0.124
local terms energy: -57.658957
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -13.238
flat angles C4'-P-C4' energy: -11.988
flat angles P-C4'-P energy: -3.094
tors. eta vs tors. theta energy: -17.137
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: 1
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -225.493752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.493752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.539604 (E_RNA)
where:
Base-Base interactions energy: -163.622
where: short stacking energy: -69.235
Base-Backbone interact. energy: -0.012
local terms energy: -61.906065
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -11.679
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -6.607
tors. eta vs tors. theta energy: -17.565
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: 41
Temperature: 1.000000
Total energy: -232.096819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.096819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.116725 (E_RNA)
where:
Base-Base interactions energy: -172.150
where: short stacking energy: -72.885
Base-Backbone interact. energy: -0.072
local terms energy: -59.894476
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -13.053
flat angles P-C4'-P energy: -3.270
tors. eta vs tors. theta energy: -18.331
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: 4
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -203.840675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.840675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.359226 (E_RNA)
where:
Base-Base interactions energy: -157.040
where: short stacking energy: -62.912
Base-Backbone interact. energy: -0.043
local terms energy: -54.276109
where:
bonds (distance) C4'-P energy: -10.700
bonds (distance) P-C4' energy: -9.490
flat angles C4'-P-C4' energy: -12.415
flat angles P-C4'-P energy: -3.931
tors. eta vs tors. theta energy: -17.741
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: 5, replica: 8
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -215.896320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.896320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.922562 (E_RNA)
where:
Base-Base interactions energy: -160.636
where: short stacking energy: -62.402
Base-Backbone interact. energy: -0.007
local terms energy: -55.279351
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -12.314
flat angles P-C4'-P energy: -3.116
tors. eta vs tors. theta energy: -16.469
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: 2
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -204.846445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.846445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.952777 (E_RNA)
where:
Base-Base interactions energy: -142.213
where: short stacking energy: -55.772
Base-Backbone interact. energy: -0.086
local terms energy: -62.654095
where:
bonds (distance) C4'-P energy: -8.687
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -15.045
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: 7, replica: 10
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -203.441613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.441613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.661315 (E_RNA)
where:
Base-Base interactions energy: -138.862
where: short stacking energy: -55.243
Base-Backbone interact. energy: 0.608
local terms energy: -65.407655
where:
bonds (distance) C4'-P energy: -10.322
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -16.471
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: 3
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -199.113280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.113280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.184438 (E_RNA)
where:
Base-Base interactions energy: -148.108
where: short stacking energy: -57.308
Base-Backbone interact. energy: -0.385
local terms energy: -50.691231
where:
bonds (distance) C4'-P energy: -8.705
bonds (distance) P-C4' energy: -12.213
flat angles C4'-P-C4' energy: -10.566
flat angles P-C4'-P energy: -6.676
tors. eta vs tors. theta energy: -12.532
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: 9, replica: 7
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -195.929967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.929967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.972597 (E_RNA)
where:
Base-Base interactions energy: -134.059
where: short stacking energy: -50.425
Base-Backbone interact. energy: -0.044
local terms energy: -61.869082
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -10.665
flat angles P-C4'-P energy: -9.947
tors. eta vs tors. theta energy: -15.705
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: 41
Temperature: 1.350000
Total energy: -165.643325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.643325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.902110 (E_RNA)
where:
Base-Base interactions energy: -120.638
where: short stacking energy: -48.681
Base-Backbone interact. energy: -0.152
local terms energy: -53.112022
where:
bonds (distance) C4'-P energy: -8.198
bonds (distance) P-C4' energy: -10.850
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -10.810
Dist. restrs. and SS energy: 8.259 (S_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: 42
Temperature: 0.900000
Total energy: -229.011199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.011199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.011199 (E_RNA)
where:
Base-Base interactions energy: -164.179
where: short stacking energy: -69.122
Base-Backbone interact. energy: -0.001
local terms energy: -64.831136
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -11.998
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: -15.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -229.546053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.546053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.616033 (E_RNA)
where:
Base-Base interactions energy: -168.687
where: short stacking energy: -67.035
Base-Backbone interact. energy: -0.315
local terms energy: -60.613872
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -13.880
flat angles C4'-P-C4' energy: -12.658
flat angles P-C4'-P energy: -3.870
tors. eta vs tors. theta energy: -15.330
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: 9
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -211.561706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.561706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.728733 (E_RNA)
where:
Base-Base interactions energy: -145.459
where: short stacking energy: -59.245
Base-Backbone interact. energy: -0.305
local terms energy: -65.965066
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -11.248
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -15.376
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: 4, replica: 4
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -194.513968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.513968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.625823 (E_RNA)
where:
Base-Base interactions energy: -136.083
where: short stacking energy: -64.289
Base-Backbone interact. energy: -0.024
local terms energy: -65.519089
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -12.042
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -16.327
Dist. restrs. and SS energy: 7.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -204.998345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.998345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.998345 (E_RNA)
where:
Base-Base interactions energy: -142.152
where: short stacking energy: -56.909
Base-Backbone interact. energy: 0.994
local terms energy: -63.840510
where:
bonds (distance) C4'-P energy: -10.166
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -12.689
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: -16.492
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -206.831470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.831470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.912685 (E_RNA)
where:
Base-Base interactions energy: -141.019
where: short stacking energy: -54.815
Base-Backbone interact. energy: -0.007
local terms energy: -65.886500
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -12.944
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -15.186
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: 3
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -198.099580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.099580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.099580 (E_RNA)
where:
Base-Base interactions energy: -144.370
where: short stacking energy: -61.997
Base-Backbone interact. energy: -0.117
local terms energy: -53.611879
where:
bonds (distance) C4'-P energy: -10.707
bonds (distance) P-C4' energy: -7.306
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -12.096
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -204.919480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.919480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.998951 (E_RNA)
where:
Base-Base interactions energy: -152.385
where: short stacking energy: -56.563
Base-Backbone interact. energy: -0.066
local terms energy: -52.547520
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -10.725
flat angles C4'-P-C4' energy: -10.139
flat angles P-C4'-P energy: -3.623
tors. eta vs tors. theta energy: -13.718
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: 7
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -202.928865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.928865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.076631 (E_RNA)
where:
Base-Base interactions energy: -146.454
where: short stacking energy: -58.761
Base-Backbone interact. energy: -0.089
local terms energy: -56.533667
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: -3.215
tors. eta vs tors. theta energy: -14.740
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: 5
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -169.960547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.960547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.731383 (E_RNA)
where:
Base-Base interactions energy: -126.826
where: short stacking energy: -50.687
Base-Backbone interact. energy: -0.727
local terms energy: -50.178561
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -8.815
flat angles C4'-P-C4' energy: -8.463
flat angles P-C4'-P energy: -6.822
tors. eta vs tors. theta energy: -13.236
Dist. restrs. and SS energy: 7.771 (S_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: 43
Temperature: 0.900000
Total energy: -223.400397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.400397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.593098 (E_RNA)
where:
Base-Base interactions energy: -156.110
where: short stacking energy: -63.147
Base-Backbone interact. energy: -0.001
local terms energy: -67.482190
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -15.742
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: 2, replica: 6
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -228.063844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.063844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.092227 (E_RNA)
where:
Base-Base interactions energy: -168.346
where: short stacking energy: -67.588
Base-Backbone interact. energy: 0.004
local terms energy: -59.749398
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -12.406
flat angles C4'-P-C4' energy: -10.176
flat angles P-C4'-P energy: -6.305
tors. eta vs tors. theta energy: -17.949
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: 43
Temperature: 1.000000
Total energy: -212.475567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.475567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.475567 (E_RNA)
where:
Base-Base interactions energy: -148.756
where: short stacking energy: -60.170
Base-Backbone interact. energy: -0.011
local terms energy: -63.708179
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -8.566
tors. eta vs tors. theta energy: -13.290
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -213.992028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.992028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.197872 (E_RNA)
where:
Base-Base interactions energy: -151.937
where: short stacking energy: -67.030
Base-Backbone interact. energy: 0.894
local terms energy: -63.154751
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -10.465
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -9.533
tors. eta vs tors. theta energy: -16.490
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: 5, replica: 4
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -188.587733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.587733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.272519 (E_RNA)
where:
Base-Base interactions energy: -132.942
where: short stacking energy: -51.668
Base-Backbone interact. energy: -1.445
local terms energy: -60.885369
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -10.479
flat angles C4'-P-C4' energy: -11.682
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -17.962
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: 6, replica: 8
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -200.313137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.313137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.347788 (E_RNA)
where:
Base-Base interactions energy: -138.239
where: short stacking energy: -57.748
Base-Backbone interact. energy: -0.038
local terms energy: -62.070739
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -11.886
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -8.987
tors. eta vs tors. theta energy: -12.652
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: 3
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -190.304380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.304380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.357236 (E_RNA)
where:
Base-Base interactions energy: -135.040
where: short stacking energy: -53.453
Base-Backbone interact. energy: -0.010
local terms energy: -55.307266
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -11.256
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -6.603
tors. eta vs tors. theta energy: -13.447
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: 8, replica: 7
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -195.307052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.307052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.383601 (E_RNA)
where:
Base-Base interactions energy: -143.728
where: short stacking energy: -58.463
Base-Backbone interact. energy: -0.144
local terms energy: -51.512101
where:
bonds (distance) C4'-P energy: -5.945
bonds (distance) P-C4' energy: -9.907
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -5.335
tors. eta vs tors. theta energy: -16.007
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: 10
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -195.064592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.064592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.243221 (E_RNA)
where:
Base-Base interactions energy: -141.404
where: short stacking energy: -61.205
Base-Backbone interact. energy: -0.238
local terms energy: -53.601061
where:
bonds (distance) C4'-P energy: -10.198
bonds (distance) P-C4' energy: -11.823
flat angles C4'-P-C4' energy: -9.035
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -13.454
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: 10, replica: 5
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -180.434208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.434208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.510116 (E_RNA)
where:
Base-Base interactions energy: -128.897
where: short stacking energy: -55.823
Base-Backbone interact. energy: -1.378
local terms energy: -57.235311
where:
bonds (distance) C4'-P energy: -11.126
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -10.367
flat angles P-C4'-P energy: -6.543
tors. eta vs tors. theta energy: -14.704
Dist. restrs. and SS energy: 7.076 (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: 6
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -225.535624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.535624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.587165 (E_RNA)
where:
Base-Base interactions energy: -161.960
where: short stacking energy: -64.973
Base-Backbone interact. energy: -0.331
local terms energy: -63.295558
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -11.784
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -15.050
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: 1
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -218.183864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.183864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.297508 (E_RNA)
where:
Base-Base interactions energy: -157.787
where: short stacking energy: -67.653
Base-Backbone interact. energy: -0.004
local terms energy: -60.507083
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -2.889
tors. eta vs tors. theta energy: -18.221
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: 2
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -216.236418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.236418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.306012 (E_RNA)
where:
Base-Base interactions energy: -147.625
where: short stacking energy: -62.945
Base-Backbone interact. energy: -0.006
local terms energy: -68.675703
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -15.607
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: 44
Temperature: 1.050000
Total energy: -213.850152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.850152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.893788 (E_RNA)
where:
Base-Base interactions energy: -149.741
where: short stacking energy: -62.625
Base-Backbone interact. energy: 1.699
local terms energy: -65.851867
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -17.988
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: 8
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -206.662641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.662641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.693474 (E_RNA)
where:
Base-Base interactions energy: -145.673
where: short stacking energy: -61.919
Base-Backbone interact. energy: -0.019
local terms energy: -61.001761
where:
bonds (distance) C4'-P energy: -9.079
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -12.436
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -14.136
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: 4
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -184.792666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.792666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.676330 (E_RNA)
where:
Base-Base interactions energy: -128.213
where: short stacking energy: -56.622
Base-Backbone interact. energy: -0.036
local terms energy: -64.428234
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -13.419
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -15.081
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: 7, replica: 7
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -201.566719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.566719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.616409 (E_RNA)
where:
Base-Base interactions energy: -140.033
where: short stacking energy: -53.817
Base-Backbone interact. energy: 0.200
local terms energy: -61.783569
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -15.037
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: 8, replica: 3
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -193.283323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.283323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.298916 (E_RNA)
where:
Base-Base interactions energy: -139.342
where: short stacking energy: -58.335
Base-Backbone interact. energy: -0.042
local terms energy: -53.914337
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -10.167
flat angles P-C4'-P energy: -4.413
tors. eta vs tors. theta energy: -14.962
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: 44
Temperature: 1.300000
Total energy: -181.438858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.438858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.698722 (E_RNA)
where:
Base-Base interactions energy: -132.154
where: short stacking energy: -58.609
Base-Backbone interact. energy: -0.083
local terms energy: -56.461590
where:
bonds (distance) C4'-P energy: -9.533
bonds (distance) P-C4' energy: -11.637
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -5.805
tors. eta vs tors. theta energy: -16.592
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: 10, replica: 10
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -195.429615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.429615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.531304 (E_RNA)
where:
Base-Base interactions energy: -134.755
where: short stacking energy: -55.390
Base-Backbone interact. energy: -0.017
local terms energy: -60.758599
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -10.323
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -6.770
tors. eta vs tors. theta energy: -17.106
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: 6
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -231.606892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.606892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.606892 (E_RNA)
where:
Base-Base interactions energy: -170.171
where: short stacking energy: -68.979
Base-Backbone interact. energy: -0.007
local terms energy: -61.429188
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -4.980
tors. eta vs tors. theta energy: -17.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -217.960653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.960653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.971426 (E_RNA)
where:
Base-Base interactions energy: -149.797
where: short stacking energy: -63.602
Base-Backbone interact. energy: -0.001
local terms energy: -68.173454
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -6.072
tors. eta vs tors. theta energy: -17.762
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: 45
Temperature: 1.000000
Total energy: -214.583716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.583716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.610909 (E_RNA)
where:
Base-Base interactions energy: -160.085
where: short stacking energy: -62.801
Base-Backbone interact. energy: -0.001
local terms energy: -54.525732
where:
bonds (distance) C4'-P energy: -9.506
bonds (distance) P-C4' energy: -8.064
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -6.404
tors. eta vs tors. theta energy: -16.416
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: 45
Temperature: 1.050000
Total energy: -216.720693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.720693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.728746 (E_RNA)
where:
Base-Base interactions energy: -160.362
where: short stacking energy: -59.240
Base-Backbone interact. energy: -0.073
local terms energy: -56.294167
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -12.504
flat angles P-C4'-P energy: -4.170
tors. eta vs tors. theta energy: -15.497
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: 45
Temperature: 1.100000
Total energy: -204.838025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.838025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.890809 (E_RNA)
where:
Base-Base interactions energy: -141.969
where: short stacking energy: -58.903
Base-Backbone interact. energy: -0.005
local terms energy: -62.916189
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -10.085
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -17.611
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: 7
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -204.351118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.351118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.437763 (E_RNA)
where:
Base-Base interactions energy: -153.331
where: short stacking energy: -57.891
Base-Backbone interact. energy: -0.002
local terms energy: -51.104339
where:
bonds (distance) C4'-P energy: -11.068
bonds (distance) P-C4' energy: -10.756
flat angles C4'-P-C4' energy: -11.712
flat angles P-C4'-P energy: -1.493
tors. eta vs tors. theta energy: -16.075
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: 45
Temperature: 1.200000
Total energy: -189.469779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.469779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.775270 (E_RNA)
where:
Base-Base interactions energy: -137.736
where: short stacking energy: -63.749
Base-Backbone interact. energy: -0.072
local terms energy: -59.967878
where:
bonds (distance) C4'-P energy: -9.652
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -12.085
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -15.299
Dist. restrs. and SS energy: 8.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -181.213272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.213272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.632095 (E_RNA)
where:
Base-Base interactions energy: -136.388
where: short stacking energy: -61.757
Base-Backbone interact. energy: -0.125
local terms energy: -53.118980
where:
bonds (distance) C4'-P energy: -7.618
bonds (distance) P-C4' energy: -8.961
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -6.855
tors. eta vs tors. theta energy: -15.632
Dist. restrs. and SS energy: 8.419 (S_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: 45
Temperature: 1.300000
Total energy: -196.174532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.174532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.177118 (E_RNA)
where:
Base-Base interactions energy: -141.061
where: short stacking energy: -57.511
Base-Backbone interact. energy: -0.014
local terms energy: -55.102381
where:
bonds (distance) C4'-P energy: -11.047
bonds (distance) P-C4' energy: -9.646
flat angles C4'-P-C4' energy: -11.003
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: -14.986
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: 45
Temperature: 1.350000
Total energy: -192.233894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.233894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.287386 (E_RNA)
where:
Base-Base interactions energy: -138.130
where: short stacking energy: -56.892
Base-Backbone interact. energy: -0.498
local terms energy: -53.660319
where:
bonds (distance) C4'-P energy: -7.515
bonds (distance) P-C4' energy: -12.647
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -4.617
tors. eta vs tors. theta energy: -15.249
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: 1, replica: 6
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -231.233461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.233461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.342712 (E_RNA)
where:
Base-Base interactions energy: -165.894
where: short stacking energy: -66.784
Base-Backbone interact. energy: -0.251
local terms energy: -65.197547
where:
bonds (distance) C4'-P energy: -12.926
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -7.744
tors. eta vs tors. theta energy: -18.816
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: 46
Temperature: 0.950000
Total energy: -222.383072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.383072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.409722 (E_RNA)
where:
Base-Base interactions energy: -156.255
where: short stacking energy: -67.868
Base-Backbone interact. energy: -0.009
local terms energy: -66.145283
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -12.906
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: -16.509
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: 46
Temperature: 1.000000
Total energy: -225.718498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.718498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.721533 (E_RNA)
where:
Base-Base interactions energy: -170.742
where: short stacking energy: -68.021
Base-Backbone interact. energy: -0.043
local terms energy: -54.936766
where:
bonds (distance) C4'-P energy: -12.156
bonds (distance) P-C4' energy: -11.506
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -3.304
tors. eta vs tors. theta energy: -14.943
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: 4, replica: 1
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -214.864132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.864132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.876040 (E_RNA)
where:
Base-Base interactions energy: -145.209
where: short stacking energy: -57.165
Base-Backbone interact. energy: -0.122
local terms energy: -69.545277
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -15.681
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: 46
Temperature: 1.100000
Total energy: -203.389270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.389270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.394980 (E_RNA)
where:
Base-Base interactions energy: -143.814
where: short stacking energy: -53.682
Base-Backbone interact. energy: -0.338
local terms energy: -59.243787
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -3.652
tors. eta vs tors. theta energy: -13.823
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: 7
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -206.024707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.024707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.084879 (E_RNA)
where:
Base-Base interactions energy: -144.686
where: short stacking energy: -58.766
Base-Backbone interact. energy: -0.618
local terms energy: -60.781024
where:
bonds (distance) C4'-P energy: -9.172
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -11.093
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -15.204
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: 4
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -188.995552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.995552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.686687 (E_RNA)
where:
Base-Base interactions energy: -133.501
where: short stacking energy: -59.503
Base-Backbone interact. energy: -0.210
local terms energy: -63.975366
where:
bonds (distance) C4'-P energy: -7.883
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -7.360
tors. eta vs tors. theta energy: -17.772
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: 8, replica: 5
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -184.641571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.641571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.181474 (E_RNA)
where:
Base-Base interactions energy: -131.457
where: short stacking energy: -50.410
Base-Backbone interact. energy: -0.109
local terms energy: -60.615118
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -11.320
flat angles C4'-P-C4' energy: -13.498
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: -13.289
Dist. restrs. and SS energy: 7.540 (S_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: 46
Temperature: 1.300000
Total energy: -194.857989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.857989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.874086 (E_RNA)
where:
Base-Base interactions energy: -141.069
where: short stacking energy: -57.349
Base-Backbone interact. energy: -0.001
local terms energy: -53.804672
where:
bonds (distance) C4'-P energy: -8.401
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -8.268
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -14.738
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: 3
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -194.726428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.726428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.863923 (E_RNA)
where:
Base-Base interactions energy: -132.106
where: short stacking energy: -51.158
Base-Backbone interact. energy: -0.008
local terms energy: -62.749795
where:
bonds (distance) C4'-P energy: -7.014
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -12.798
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: -16.001
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: 6
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -227.359473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.359473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.384002 (E_RNA)
where:
Base-Base interactions energy: -168.521
where: short stacking energy: -66.487
Base-Backbone interact. energy: 0.048
local terms energy: -58.911311
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -2.884
tors. eta vs tors. theta energy: -16.273
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: 8
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -218.457816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.457816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.496730 (E_RNA)
where:
Base-Base interactions energy: -150.810
where: short stacking energy: -66.813
Base-Backbone interact. energy: -0.001
local terms energy: -67.685107
where:
bonds (distance) C4'-P energy: -9.329
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -13.039
flat angles P-C4'-P energy: -12.322
tors. eta vs tors. theta energy: -17.917
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: 2
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -215.373854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.373854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.373854 (E_RNA)
where:
Base-Base interactions energy: -149.208
where: short stacking energy: -57.551
Base-Backbone interact. energy: 0.249
local terms energy: -66.413872
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -11.686
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -16.519
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -210.287103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.287103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.316462 (E_RNA)
where:
Base-Base interactions energy: -147.008
where: short stacking energy: -60.078
Base-Backbone interact. energy: -0.301
local terms energy: -63.007600
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -10.172
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -16.924
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: 9
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -200.521289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.521289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.578462 (E_RNA)
where:
Base-Base interactions energy: -138.729
where: short stacking energy: -56.053
Base-Backbone interact. energy: 0.329
local terms energy: -62.178407
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -11.885
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -14.524
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: 4
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -183.018748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.018748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.237868 (E_RNA)
where:
Base-Base interactions energy: -132.427
where: short stacking energy: -51.158
Base-Backbone interact. energy: -0.202
local terms energy: -57.609129
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -9.582
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -5.634
tors. eta vs tors. theta energy: -15.656
Dist. restrs. and SS energy: 7.219 (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: 7
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -199.765446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.765446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.773682 (E_RNA)
where:
Base-Base interactions energy: -134.076
where: short stacking energy: -52.036
Base-Backbone interact. energy: -0.268
local terms energy: -65.429538
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -11.376
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -16.415
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: 10
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -199.363727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.363727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.400263 (E_RNA)
where:
Base-Base interactions energy: -142.003
where: short stacking energy: -61.121
Base-Backbone interact. energy: -0.038
local terms energy: -57.359152
where:
bonds (distance) C4'-P energy: -11.043
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -5.107
tors. eta vs tors. theta energy: -13.569
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: 47
Temperature: 1.300000
Total energy: -180.353371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.353371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.289691 (E_RNA)
where:
Base-Base interactions energy: -124.048
where: short stacking energy: -58.412
Base-Backbone interact. energy: -0.241
local terms energy: -65.000622
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -12.668
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: -18.261
Dist. restrs. and SS energy: 8.936 (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: 3
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -191.131431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.131431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.135361 (E_RNA)
where:
Base-Base interactions energy: -134.735
where: short stacking energy: -52.717
Base-Backbone interact. energy: -0.099
local terms energy: -56.301036
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -7.561
flat angles C4'-P-C4' energy: -11.077
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -12.441
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: 6
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -225.772196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.772196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.772196 (E_RNA)
where:
Base-Base interactions energy: -168.181
where: short stacking energy: -62.591
Base-Backbone interact. energy: -0.058
local terms energy: -57.533201
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -4.521
tors. eta vs tors. theta energy: -13.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -212.700684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.700684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.700684 (E_RNA)
where:
Base-Base interactions energy: -148.164
where: short stacking energy: -61.172
Base-Backbone interact. energy: 0.750
local terms energy: -65.286572
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -12.511
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -16.574
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -213.230493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.230493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.319470 (E_RNA)
where:
Base-Base interactions energy: -152.728
where: short stacking energy: -67.213
Base-Backbone interact. energy: -0.001
local terms energy: -60.590273
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -10.828
flat angles C4'-P-C4' energy: -11.430
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -14.971
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: 48
Temperature: 1.050000
Total energy: -210.545616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.545616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.581707 (E_RNA)
where:
Base-Base interactions energy: -153.775
where: short stacking energy: -67.815
Base-Backbone interact. energy: -0.001
local terms energy: -56.805734
where:
bonds (distance) C4'-P energy: -6.370
bonds (distance) P-C4' energy: -11.826
flat angles C4'-P-C4' energy: -12.318
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -18.713
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: 4
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -204.523096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.523096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.923481 (E_RNA)
where:
Base-Base interactions energy: -146.415
where: short stacking energy: -64.906
Base-Backbone interact. energy: -0.006
local terms energy: -66.502578
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -8.458
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -19.698
Dist. restrs. and SS energy: 8.400 (S_DIST_RNA)
chem. 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: -207.028784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.028784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.050228 (E_RNA)
where:
Base-Base interactions energy: -142.622
where: short stacking energy: -56.265
Base-Backbone interact. energy: 0.067
local terms energy: -64.494862
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -11.573
flat angles P-C4'-P energy: -11.256
tors. eta vs tors. theta energy: -15.162
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: 48
Temperature: 1.200000
Total energy: -211.240194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.240194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.331864 (E_RNA)
where:
Base-Base interactions energy: -157.889
where: short stacking energy: -60.527
Base-Backbone interact. energy: -0.027
local terms energy: -53.415560
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -10.317
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -1.379
tors. eta vs tors. theta energy: -15.446
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: 8, replica: 7
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -196.419125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.419125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.434301 (E_RNA)
where:
Base-Base interactions energy: -141.382
where: short stacking energy: -51.432
Base-Backbone interact. energy: -0.061
local terms energy: -54.990784
where:
bonds (distance) C4'-P energy: -8.194
bonds (distance) P-C4' energy: -11.338
flat angles C4'-P-C4' energy: -12.916
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: -15.476
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: 3
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -194.431791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.431791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.433659 (E_RNA)
where:
Base-Base interactions energy: -138.342
where: short stacking energy: -54.270
Base-Backbone interact. energy: 0.039
local terms energy: -56.130564
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -9.679
flat angles C4'-P-C4' energy: -7.082
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -14.973
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: 10, replica: 5
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -180.649701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.649701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.875795 (E_RNA)
where:
Base-Base interactions energy: -134.889
where: short stacking energy: -51.435
Base-Backbone interact. energy: 0.427
local terms energy: -53.413568
where:
bonds (distance) C4'-P energy: -13.269
bonds (distance) P-C4' energy: -9.437
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -3.255
tors. eta vs tors. theta energy: -13.346
Dist. restrs. and SS energy: 7.226 (S_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: 49
Temperature: 0.900000
Total energy: -229.779988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.779988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.784496 (E_RNA)
where:
Base-Base interactions energy: -163.952
where: short stacking energy: -63.992
Base-Backbone interact. energy: -0.089
local terms energy: -65.742719
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: -13.178
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: 8
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -216.626795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.626795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.667647 (E_RNA)
where:
Base-Base interactions energy: -154.605
where: short stacking energy: -63.516
Base-Backbone interact. energy: 0.428
local terms energy: -62.490695
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -11.757
flat angles C4'-P-C4' energy: -12.461
flat angles P-C4'-P energy: -7.594
tors. eta vs tors. theta energy: -18.163
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: 1
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -208.567799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.567799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.593377 (E_RNA)
where:
Base-Base interactions energy: -149.704
where: short stacking energy: -64.811
Base-Backbone interact. energy: 0.639
local terms energy: -59.528513
where:
bonds (distance) C4'-P energy: -10.637
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -8.501
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -17.373
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: 4
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -211.037792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.037792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.405779 (E_RNA)
where:
Base-Base interactions energy: -152.101
where: short stacking energy: -67.030
Base-Backbone interact. energy: -0.672
local terms energy: -66.632547
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -19.136
Dist. restrs. and SS energy: 8.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -211.956354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.956354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.112912 (E_RNA)
where:
Base-Base interactions energy: -145.074
where: short stacking energy: -59.549
Base-Backbone interact. energy: -0.065
local terms energy: -66.973952
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -13.857
flat angles C4'-P-C4' energy: -11.672
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -17.315
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: 49
Temperature: 1.150000
Total energy: -208.068767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.068767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.136685 (E_RNA)
where:
Base-Base interactions energy: -139.945
where: short stacking energy: -56.281
Base-Backbone interact. energy: 0.084
local terms energy: -68.275696
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -15.922
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: 49
Temperature: 1.200000
Total energy: -199.994096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.994096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.100172 (E_RNA)
where:
Base-Base interactions energy: -133.665
where: short stacking energy: -50.350
Base-Backbone interact. energy: -1.039
local terms energy: -65.396084
where:
bonds (distance) C4'-P energy: -9.379
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -11.876
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -19.184
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: 8, replica: 3
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -202.497998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.497998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.514950 (E_RNA)
where:
Base-Base interactions energy: -149.453
where: short stacking energy: -63.389
Base-Backbone interact. energy: -0.101
local terms energy: -52.961776
where:
bonds (distance) C4'-P energy: -10.417
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -4.789
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -14.423
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: 9, replica: 7
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -186.163287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.163287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.403810 (E_RNA)
where:
Base-Base interactions energy: -139.464
where: short stacking energy: -46.274
Base-Backbone interact. energy: -0.163
local terms energy: -46.777123
where:
bonds (distance) C4'-P energy: -7.656
bonds (distance) P-C4' energy: -11.575
flat angles C4'-P-C4' energy: -10.381
flat angles P-C4'-P energy: -7.892
tors. eta vs tors. theta energy: -9.273
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: 10, replica: 5
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -170.293548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.293548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.348528 (E_RNA)
where:
Base-Base interactions energy: -122.397
where: short stacking energy: -51.960
Base-Backbone interact. energy: -0.016
local terms energy: -54.935919
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -9.687
flat angles C4'-P-C4' energy: -10.690
flat angles P-C4'-P energy: -6.058
tors. eta vs tors. theta energy: -16.617
Dist. restrs. and SS energy: 7.055 (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: 50
Temperature: 0.900000
Total energy: -229.893100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.893100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.933510 (E_RNA)
where:
Base-Base interactions energy: -169.615
where: short stacking energy: -65.645
Base-Backbone interact. energy: -0.495
local terms energy: -59.823911
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -2.772
tors. eta vs tors. theta energy: -16.912
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: 50
Temperature: 0.950000
Total energy: -219.558347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.558347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.652374 (E_RNA)
where:
Base-Base interactions energy: -148.123
where: short stacking energy: -66.198
Base-Backbone interact. energy: -0.001
local terms energy: -71.527902
where:
bonds (distance) C4'-P energy: -11.893
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -19.803
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: 4
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -204.043707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.043707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.950929 (E_RNA)
where:
Base-Base interactions energy: -150.846
where: short stacking energy: -62.235
Base-Backbone interact. energy: -0.990
local terms energy: -60.115296
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -10.750
flat angles C4'-P-C4' energy: -12.797
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -14.899
Dist. restrs. and SS energy: 7.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -213.524571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.524571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.533525 (E_RNA)
where:
Base-Base interactions energy: -147.647
where: short stacking energy: -60.129
Base-Backbone interact. energy: -0.016
local terms energy: -65.871010
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -14.988
flat angles C4'-P-C4' energy: -10.533
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -16.884
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: 50
Temperature: 1.100000
Total energy: -212.735263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.735263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.807458 (E_RNA)
where:
Base-Base interactions energy: -149.317
where: short stacking energy: -64.429
Base-Backbone interact. energy: -0.246
local terms energy: -63.243998
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -13.260
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -6.059
tors. eta vs tors. theta energy: -15.951
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: 2
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -200.368020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.368020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.483327 (E_RNA)
where:
Base-Base interactions energy: -139.218
where: short stacking energy: -56.624
Base-Backbone interact. energy: -0.097
local terms energy: -61.168067
where:
bonds (distance) C4'-P energy: -9.830
bonds (distance) P-C4' energy: -11.918
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -15.504
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: 3
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -196.384819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.384819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.489732 (E_RNA)
where:
Base-Base interactions energy: -130.694
where: short stacking energy: -48.072
Base-Backbone interact. energy: -0.405
local terms energy: -65.390113
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: -11.883
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: 8, replica: 9
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -201.787830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.787830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.864193 (E_RNA)
where:
Base-Base interactions energy: -147.626
where: short stacking energy: -61.901
Base-Backbone interact. energy: -0.294
local terms energy: -53.944226
where:
bonds (distance) C4'-P energy: -8.476
bonds (distance) P-C4' energy: -8.207
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -8.962
tors. eta vs tors. theta energy: -16.013
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: 5
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -182.908633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.908633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.006032 (E_RNA)
where:
Base-Base interactions energy: -133.574
where: short stacking energy: -55.380
Base-Backbone interact. energy: 0.806
local terms energy: -57.238415
where:
bonds (distance) C4'-P energy: -10.728
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -10.530
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -14.380
Dist. restrs. and SS energy: 7.097 (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: 7
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -198.756098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.756098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.138094 (E_RNA)
where:
Base-Base interactions energy: -146.035
where: short stacking energy: -57.738
Base-Backbone interact. energy: 0.105
local terms energy: -53.208744
where:
bonds (distance) C4'-P energy: -11.482
bonds (distance) P-C4' energy: -10.825
flat angles C4'-P-C4' energy: -9.927
flat angles P-C4'-P energy: -3.617
tors. eta vs tors. theta energy: -17.359
Dist. restrs. and SS energy: 0.382 (S_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: -231.130430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.130430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.221146 (E_RNA)
where:
Base-Base interactions energy: -168.721
where: short stacking energy: -70.978
Base-Backbone interact. energy: -0.015
local terms energy: -62.485770
where:
bonds (distance) C4'-P energy: -10.547
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -5.916
tors. eta vs tors. theta energy: -18.540
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: 4
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -199.089711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.089711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.435794 (E_RNA)
where:
Base-Base interactions energy: -142.541
where: short stacking energy: -64.020
Base-Backbone interact. energy: -0.637
local terms energy: -64.257495
where:
bonds (distance) C4'-P energy: -9.024
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -15.054
Dist. restrs. and SS energy: 8.346 (S_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: -219.544266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.544266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.569112 (E_RNA)
where:
Base-Base interactions energy: -148.259
where: short stacking energy: -60.653
Base-Backbone interact. energy: -0.211
local terms energy: -71.099266
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -19.208
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: 51
Temperature: 1.050000
Total energy: -209.533855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.533855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.552978 (E_RNA)
where:
Base-Base interactions energy: -142.123
where: short stacking energy: -61.817
Base-Backbone interact. energy: -0.002
local terms energy: -67.427525
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -14.730
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: 1
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -206.362536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.362536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.552404 (E_RNA)
where:
Base-Base interactions energy: -143.672
where: short stacking energy: -65.088
Base-Backbone interact. energy: -0.062
local terms energy: -62.818685
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -14.599
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: 6, replica: 3
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -198.656198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.656198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.658257 (E_RNA)
where:
Base-Base interactions energy: -137.317
where: short stacking energy: -52.985
Base-Backbone interact. energy: -0.036
local terms energy: -61.305306
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -11.029
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: -14.279
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: 2
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -209.321433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.321433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.336064 (E_RNA)
where:
Base-Base interactions energy: -143.330
where: short stacking energy: -57.785
Base-Backbone interact. energy: -0.066
local terms energy: -65.940171
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -16.294
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: 9
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -202.584844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.584844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.626288 (E_RNA)
where:
Base-Base interactions energy: -137.678
where: short stacking energy: -55.637
Base-Backbone interact. energy: -0.123
local terms energy: -64.824608
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -11.797
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -17.694
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: 5
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -177.689070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.689070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.045640 (E_RNA)
where:
Base-Base interactions energy: -128.412
where: short stacking energy: -55.235
Base-Backbone interact. energy: -0.111
local terms energy: -55.523521
where:
bonds (distance) C4'-P energy: -11.359
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -11.973
flat angles P-C4'-P energy: -3.852
tors. eta vs tors. theta energy: -14.659
Dist. restrs. and SS energy: 6.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -185.306766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.306766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.626841 (E_RNA)
where:
Base-Base interactions energy: -129.108
where: short stacking energy: -50.645
Base-Backbone interact. energy: -0.078
local terms energy: -56.440584
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -12.168
flat angles C4'-P-C4' energy: -8.693
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: -14.493
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: 1, replica: 6
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -226.773976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.773976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.773976 (E_RNA)
where:
Base-Base interactions energy: -166.644
where: short stacking energy: -67.317
Base-Backbone interact. energy: -0.063
local terms energy: -60.067131
where:
bonds (distance) C4'-P energy: -13.807
bonds (distance) P-C4' energy: -14.443
flat angles C4'-P-C4' energy: -10.470
flat angles P-C4'-P energy: -4.997
tors. eta vs tors. theta energy: -16.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -200.185263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.185263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.221102 (E_RNA)
where:
Base-Base interactions energy: -139.230
where: short stacking energy: -56.268
Base-Backbone interact. energy: -0.477
local terms energy: -67.513875
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -13.054
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -16.590
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: 3, replica: 8
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -209.587469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.587469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.603994 (E_RNA)
where:
Base-Base interactions energy: -154.353
where: short stacking energy: -66.442
Base-Backbone interact. energy: -0.188
local terms energy: -55.063401
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -12.280
flat angles C4'-P-C4' energy: -10.450
flat angles P-C4'-P energy: -7.467
tors. eta vs tors. theta energy: -14.038
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: 52
Temperature: 1.050000
Total energy: -211.047785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.047785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.047785 (E_RNA)
where:
Base-Base interactions energy: -148.965
where: short stacking energy: -58.737
Base-Backbone interact. energy: -0.032
local terms energy: -62.050359
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -10.634
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -12.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -217.931111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.931111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.117333 (E_RNA)
where:
Base-Base interactions energy: -156.827
where: short stacking energy: -69.269
Base-Backbone interact. energy: -0.002
local terms energy: -61.288198
where:
bonds (distance) C4'-P energy: -13.116
bonds (distance) P-C4' energy: -11.630
flat angles C4'-P-C4' energy: -8.928
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -18.702
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: 6, replica: 3
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -210.026860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.026860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.100326 (E_RNA)
where:
Base-Base interactions energy: -148.223
where: short stacking energy: -58.086
Base-Backbone interact. energy: -0.006
local terms energy: -61.871428
where:
bonds (distance) C4'-P energy: -9.109
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -10.925
tors. eta vs tors. theta energy: -15.537
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: 9
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -197.921900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.921900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.035495 (E_RNA)
where:
Base-Base interactions energy: -143.678
where: short stacking energy: -50.435
Base-Backbone interact. energy: -0.000
local terms energy: -54.357515
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -10.763
flat angles P-C4'-P energy: -6.339
tors. eta vs tors. theta energy: -12.599
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: 2
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -197.956448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.956448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.087825 (E_RNA)
where:
Base-Base interactions energy: -138.346
where: short stacking energy: -53.711
Base-Backbone interact. energy: -0.180
local terms energy: -59.561739
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -9.431
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -12.628
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: 7
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -190.113500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.113500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.211587 (E_RNA)
where:
Base-Base interactions energy: -134.205
where: short stacking energy: -49.092
Base-Backbone interact. energy: -0.254
local terms energy: -55.753380
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -11.383
flat angles C4'-P-C4' energy: -12.367
flat angles P-C4'-P energy: -5.940
tors. eta vs tors. theta energy: -11.728
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: 52
Temperature: 1.350000
Total energy: -171.956197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.956197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.239241 (E_RNA)
where:
Base-Base interactions energy: -127.480
where: short stacking energy: -50.013
Base-Backbone interact. energy: -0.281
local terms energy: -53.478402
where:
bonds (distance) C4'-P energy: -11.485
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -11.356
flat angles P-C4'-P energy: -5.577
tors. eta vs tors. theta energy: -12.657
Dist. restrs. and SS energy: 9.283 (S_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: -228.769396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.769396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.774542 (E_RNA)
where:
Base-Base interactions energy: -166.459
where: short stacking energy: -68.232
Base-Backbone interact. energy: -0.003
local terms energy: -62.312409
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -5.528
tors. eta vs tors. theta energy: -14.507
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: 8
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -218.917542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.917542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.921501 (E_RNA)
where:
Base-Base interactions energy: -153.984
where: short stacking energy: -61.440
Base-Backbone interact. energy: -0.002
local terms energy: -64.934987
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -11.631
flat angles C4'-P-C4' energy: -11.049
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -15.242
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: 4
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -207.615651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.615651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.683685 (E_RNA)
where:
Base-Base interactions energy: -148.814
where: short stacking energy: -65.976
Base-Backbone interact. energy: -0.018
local terms energy: -65.851955
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -7.373
tors. eta vs tors. theta energy: -18.089
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: 4, replica: 1
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -211.405956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.405956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.536570 (E_RNA)
where:
Base-Base interactions energy: -149.448
where: short stacking energy: -61.913
Base-Backbone interact. energy: -0.044
local terms energy: -62.044927
where:
bonds (distance) C4'-P energy: -10.740
bonds (distance) P-C4' energy: -10.566
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: -16.652
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: 5, replica: 10
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -203.434375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.434375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.541176 (E_RNA)
where:
Base-Base interactions energy: -141.272
where: short stacking energy: -54.432
Base-Backbone interact. energy: -0.000
local terms energy: -62.268707
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -11.433
flat angles C4'-P-C4' energy: -11.754
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -13.884
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: 53
Temperature: 1.150000
Total energy: -215.476973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.476973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.633641 (E_RNA)
where:
Base-Base interactions energy: -148.289
where: short stacking energy: -61.856
Base-Backbone interact. energy: -0.417
local terms energy: -66.927495
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -12.509
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: 3
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -203.284373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.284373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.348292 (E_RNA)
where:
Base-Base interactions energy: -146.422
where: short stacking energy: -60.074
Base-Backbone interact. energy: -0.004
local terms energy: -56.921557
where:
bonds (distance) C4'-P energy: -8.137
bonds (distance) P-C4' energy: -11.639
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -14.435
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: 53
Temperature: 1.250000
Total energy: -202.228759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.228759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.291820 (E_RNA)
where:
Base-Base interactions energy: -144.063
where: short stacking energy: -58.353
Base-Backbone interact. energy: -0.001
local terms energy: -58.228048
where:
bonds (distance) C4'-P energy: -10.570
bonds (distance) P-C4' energy: -7.517
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -16.144
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: 2
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -196.957527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.957527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.177926 (E_RNA)
where:
Base-Base interactions energy: -134.282
where: short stacking energy: -50.950
Base-Backbone interact. energy: -0.350
local terms energy: -62.545908
where:
bonds (distance) C4'-P energy: -9.337
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -15.761
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: 10, replica: 5
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -169.954795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.954795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.227795 (E_RNA)
where:
Base-Base interactions energy: -126.306
where: short stacking energy: -56.904
Base-Backbone interact. energy: -0.294
local terms energy: -50.627577
where:
bonds (distance) C4'-P energy: -7.301
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -11.885
flat angles P-C4'-P energy: -7.062
tors. eta vs tors. theta energy: -10.713
Dist. restrs. and SS energy: 7.273 (S_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: 54
Temperature: 0.900000
Total energy: -224.125998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.125998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.161092 (E_RNA)
where:
Base-Base interactions energy: -163.343
where: short stacking energy: -64.977
Base-Backbone interact. energy: -0.007
local terms energy: -60.811745
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -12.433
flat angles P-C4'-P energy: -5.980
tors. eta vs tors. theta energy: -15.300
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: 8
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -229.315961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.315961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.344070 (E_RNA)
where:
Base-Base interactions energy: -162.862
where: short stacking energy: -65.272
Base-Backbone interact. energy: 0.627
local terms energy: -67.109355
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -7.287
tors. eta vs tors. theta energy: -15.552
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: 1
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -214.496173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.496173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.641511 (E_RNA)
where:
Base-Base interactions energy: -147.239
where: short stacking energy: -60.184
Base-Backbone interact. energy: -0.300
local terms energy: -67.102592
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -12.914
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -16.953
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: 4
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -207.895804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.895804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.858191 (E_RNA)
where:
Base-Base interactions energy: -150.099
where: short stacking energy: -66.721
Base-Backbone interact. energy: -0.008
local terms energy: -64.750367
where:
bonds (distance) C4'-P energy: -10.439
bonds (distance) P-C4' energy: -12.232
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -17.436
Dist. restrs. and SS energy: 6.962 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -203.843871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.843871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.847133 (E_RNA)
where:
Base-Base interactions energy: -142.040
where: short stacking energy: -56.740
Base-Backbone interact. energy: -0.001
local terms energy: -61.806575
where:
bonds (distance) C4'-P energy: -10.773
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -11.639
flat angles P-C4'-P energy: -11.285
tors. eta vs tors. theta energy: -14.838
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: 10
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -200.815735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.815735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.862882 (E_RNA)
where:
Base-Base interactions energy: -140.232
where: short stacking energy: -51.461
Base-Backbone interact. energy: -0.082
local terms energy: -60.548734
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -7.471
tors. eta vs tors. theta energy: -9.233
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: 54
Temperature: 1.200000
Total energy: -204.229166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.229166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.269391 (E_RNA)
where:
Base-Base interactions energy: -142.663
where: short stacking energy: -62.927
Base-Backbone interact. energy: -0.001
local terms energy: -61.605995
where:
bonds (distance) C4'-P energy: -12.175
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -12.243
flat angles P-C4'-P energy: -7.069
tors. eta vs tors. theta energy: -15.968
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: 3
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -196.367882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.367882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.404743 (E_RNA)
where:
Base-Base interactions energy: -136.204
where: short stacking energy: -52.409
Base-Backbone interact. energy: -0.263
local terms energy: -59.938070
where:
bonds (distance) C4'-P energy: -13.435
bonds (distance) P-C4' energy: -13.051
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -7.501
tors. eta vs tors. theta energy: -13.036
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: 54
Temperature: 1.300000
Total energy: -186.750900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.750900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.627779 (E_RNA)
where:
Base-Base interactions energy: -134.366
where: short stacking energy: -58.922
Base-Backbone interact. energy: -0.398
local terms energy: -60.863677
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -7.488
tors. eta vs tors. theta energy: -12.980
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: 10, replica: 2
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -186.873668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.873668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.930579 (E_RNA)
where:
Base-Base interactions energy: -133.438
where: short stacking energy: -56.908
Base-Backbone interact. energy: -0.018
local terms energy: -53.474556
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -8.852
flat angles C4'-P-C4' energy: -11.299
flat angles P-C4'-P energy: -6.336
tors. eta vs tors. theta energy: -14.234
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: 6
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -228.469611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.469611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.599597 (E_RNA)
where:
Base-Base interactions energy: -165.917
where: short stacking energy: -63.586
Base-Backbone interact. energy: -0.331
local terms energy: -62.351607
where:
bonds (distance) C4'-P energy: -11.936
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -6.175
tors. eta vs tors. theta energy: -17.028
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: 8
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -234.403740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.403740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.421302 (E_RNA)
where:
Base-Base interactions energy: -171.984
where: short stacking energy: -69.098
Base-Backbone interact. energy: -0.063
local terms energy: -62.374238
where:
bonds (distance) C4'-P energy: -10.620
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -12.911
flat angles P-C4'-P energy: -5.555
tors. eta vs tors. theta energy: -18.293
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: 55
Temperature: 1.000000
Total energy: -209.081017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.081017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.081017 (E_RNA)
where:
Base-Base interactions energy: -148.646
where: short stacking energy: -62.429
Base-Backbone interact. energy: -0.028
local terms energy: -60.406490
where:
bonds (distance) C4'-P energy: -9.856
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -12.697
flat angles P-C4'-P energy: -6.643
tors. eta vs tors. theta energy: -16.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -199.112809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.112809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.318716 (E_RNA)
where:
Base-Base interactions energy: -145.316
where: short stacking energy: -59.213
Base-Backbone interact. energy: -0.010
local terms energy: -60.992029
where:
bonds (distance) C4'-P energy: -12.142
bonds (distance) P-C4' energy: -11.682
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -13.063
Dist. restrs. and SS energy: 7.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -210.096087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.096087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.495936 (E_RNA)
where:
Base-Base interactions energy: -155.717
where: short stacking energy: -58.447
Base-Backbone interact. energy: -0.044
local terms energy: -54.734173
where:
bonds (distance) C4'-P energy: -10.466
bonds (distance) P-C4' energy: -7.555
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -5.218
tors. eta vs tors. theta energy: -16.300
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: 6, replica: 7
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -207.484347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.484347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.486391 (E_RNA)
where:
Base-Base interactions energy: -144.425
where: short stacking energy: -59.467
Base-Backbone interact. energy: -0.007
local terms energy: -63.054517
where:
bonds (distance) C4'-P energy: -9.465
bonds (distance) P-C4' energy: -12.894
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -16.350
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: 55
Temperature: 1.200000
Total energy: -204.114174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.114174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.191445 (E_RNA)
where:
Base-Base interactions energy: -143.472
where: short stacking energy: -59.917
Base-Backbone interact. energy: -0.277
local terms energy: -60.441934
where:
bonds (distance) C4'-P energy: -9.860
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -11.212
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: -15.129
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: 55
Temperature: 1.250000
Total energy: -191.255857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.255857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.202312 (E_RNA)
where:
Base-Base interactions energy: -147.235
where: short stacking energy: -63.755
Base-Backbone interact. energy: -0.097
local terms energy: -50.870071
where:
bonds (distance) C4'-P energy: -9.438
bonds (distance) P-C4' energy: -9.209
flat angles C4'-P-C4' energy: -12.601
flat angles P-C4'-P energy: -4.324
tors. eta vs tors. theta energy: -15.299
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: 9, replica: 3
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -194.591064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.591064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.625794 (E_RNA)
where:
Base-Base interactions energy: -139.287
where: short stacking energy: -51.491
Base-Backbone interact. energy: -0.017
local terms energy: -55.322150
where:
bonds (distance) C4'-P energy: -7.603
bonds (distance) P-C4' energy: -10.805
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -6.078
tors. eta vs tors. theta energy: -15.746
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: 2
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -207.556266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.556266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.616694 (E_RNA)
where:
Base-Base interactions energy: -143.978
where: short stacking energy: -53.582
Base-Backbone interact. energy: -0.096
local terms energy: -63.542058
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -11.661
flat angles P-C4'-P energy: -4.971
tors. eta vs tors. theta energy: -19.325
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: 8
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -235.419603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.419603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.507405 (E_RNA)
where:
Base-Base interactions energy: -172.196
where: short stacking energy: -70.340
Base-Backbone interact. energy: -0.018
local terms energy: -63.293039
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -7.435
tors. eta vs tors. theta energy: -17.840
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: 2, replica: 6
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -230.193680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.193680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.207005 (E_RNA)
where:
Base-Base interactions energy: -167.611
where: short stacking energy: -68.248
Base-Backbone interact. energy: -0.320
local terms energy: -62.275962
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -6.536
tors. eta vs tors. theta energy: -15.752
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: 56
Temperature: 1.000000
Total energy: -219.078028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.078028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.172509 (E_RNA)
where:
Base-Base interactions energy: -156.097
where: short stacking energy: -65.067
Base-Backbone interact. energy: -0.510
local terms energy: -62.565384
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -12.112
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -6.158
tors. eta vs tors. theta energy: -17.510
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: 4, replica: 4
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -207.588030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.588030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.157427 (E_RNA)
where:
Base-Base interactions energy: -148.005
where: short stacking energy: -63.319
Base-Backbone interact. energy: -1.124
local terms energy: -67.028473
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -17.577
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: 5, replica: 7
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -207.311701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.311701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.317595 (E_RNA)
where:
Base-Base interactions energy: -147.404
where: short stacking energy: -60.457
Base-Backbone interact. energy: -0.002
local terms energy: -59.911681
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -8.172
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -9.141
tors. eta vs tors. theta energy: -15.430
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: 56
Temperature: 1.150000
Total energy: -216.184543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.184543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.202128 (E_RNA)
where:
Base-Base interactions energy: -151.487
where: short stacking energy: -66.482
Base-Backbone interact. energy: -0.001
local terms energy: -64.714789
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -10.520
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -7.501
tors. eta vs tors. theta energy: -19.115
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: 56
Temperature: 1.200000
Total energy: -190.344754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.344754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.815755 (E_RNA)
where:
Base-Base interactions energy: -139.552
where: short stacking energy: -63.012
Base-Backbone interact. energy: -0.002
local terms energy: -58.262002
where:
bonds (distance) C4'-P energy: -10.488
bonds (distance) P-C4' energy: -8.560
flat angles C4'-P-C4' energy: -12.500
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -16.640
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: 8, replica: 10
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -196.386524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.386524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.412726 (E_RNA)
where:
Base-Base interactions energy: -140.235
where: short stacking energy: -56.818
Base-Backbone interact. energy: -0.001
local terms energy: -56.176240
where:
bonds (distance) C4'-P energy: -10.012
bonds (distance) P-C4' energy: -10.367
flat angles C4'-P-C4' energy: -12.148
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -13.158
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: 3
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -192.650974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.650974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.779266 (E_RNA)
where:
Base-Base interactions energy: -134.853
where: short stacking energy: -52.623
Base-Backbone interact. energy: -0.057
local terms energy: -57.869592
where:
bonds (distance) C4'-P energy: -8.368
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -11.119
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -15.486
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: 2
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -189.791350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.791350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.055259 (E_RNA)
where:
Base-Base interactions energy: -125.906
where: short stacking energy: -51.429
Base-Backbone interact. energy: -0.001
local terms energy: -64.149121
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -16.686
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: 1, replica: 8
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -221.992958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.992958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.054857 (E_RNA)
where:
Base-Base interactions energy: -150.106
where: short stacking energy: -61.350
Base-Backbone interact. energy: -0.738
local terms energy: -71.211368
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -17.908
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: 1
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -220.157662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.157662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.157662 (E_RNA)
where:
Base-Base interactions energy: -154.691
where: short stacking energy: -63.660
Base-Backbone interact. energy: -0.032
local terms energy: -65.434990
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -16.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -223.066906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.066906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.066906 (E_RNA)
where:
Base-Base interactions energy: -160.634
where: short stacking energy: -64.728
Base-Backbone interact. energy: -0.004
local terms energy: -62.428837
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -13.820
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -5.224
tors. eta vs tors. theta energy: -17.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -222.863928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.863928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.982557 (E_RNA)
where:
Base-Base interactions energy: -161.280
where: short stacking energy: -68.784
Base-Backbone interact. energy: -0.005
local terms energy: -61.697419
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -7.072
tors. eta vs tors. theta energy: -17.984
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: 5, replica: 4
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -195.824424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.824424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.018137 (E_RNA)
where:
Base-Base interactions energy: -137.178
where: short stacking energy: -57.538
Base-Backbone interact. energy: -1.769
local terms energy: -64.071115
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -12.191
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -6.199
tors. eta vs tors. theta energy: -16.767
Dist. restrs. and SS energy: 7.194 (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: 9
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -202.303992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.303992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.430248 (E_RNA)
where:
Base-Base interactions energy: -139.958
where: short stacking energy: -56.005
Base-Backbone interact. energy: -0.417
local terms energy: -62.055816
where:
bonds (distance) C4'-P energy: -10.724
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -13.555
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: 7, replica: 5
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -190.462539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.462539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.375664 (E_RNA)
where:
Base-Base interactions energy: -134.164
where: short stacking energy: -57.728
Base-Backbone interact. energy: -0.032
local terms energy: -63.179383
where:
bonds (distance) C4'-P energy: -8.972
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -12.472
Dist. restrs. and SS energy: 6.913 (S_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: 57
Temperature: 1.250000
Total energy: -201.349659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.349659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.357244 (E_RNA)
where:
Base-Base interactions energy: -139.290
where: short stacking energy: -56.871
Base-Backbone interact. energy: -0.093
local terms energy: -61.974349
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -14.599
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -4.964
tors. eta vs tors. theta energy: -14.337
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: 9, replica: 10
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -197.293595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.293595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.343491 (E_RNA)
where:
Base-Base interactions energy: -137.553
where: short stacking energy: -58.216
Base-Backbone interact. energy: -0.102
local terms energy: -59.688685
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -10.640
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -6.739
tors. eta vs tors. theta energy: -15.356
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: 57
Temperature: 1.350000
Total energy: -191.192160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.192160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.501161 (E_RNA)
where:
Base-Base interactions energy: -131.200
where: short stacking energy: -50.578
Base-Backbone interact. energy: -0.054
local terms energy: -60.247267
where:
bonds (distance) C4'-P energy: -11.879
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -11.136
flat angles P-C4'-P energy: -7.443
tors. eta vs tors. theta energy: -14.939
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: 1, replica: 1
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -212.449850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.449850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.500231 (E_RNA)
where:
Base-Base interactions energy: -147.365
where: short stacking energy: -59.905
Base-Backbone interact. energy: -0.434
local terms energy: -64.700868
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -14.475
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: 8
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -220.633291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.633291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.760273 (E_RNA)
where:
Base-Base interactions energy: -153.697
where: short stacking energy: -63.829
Base-Backbone interact. energy: -0.004
local terms energy: -67.058754
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -11.476
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -17.131
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: 7
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -216.670427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.670427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.762224 (E_RNA)
where:
Base-Base interactions energy: -143.343
where: short stacking energy: -57.704
Base-Backbone interact. energy: -0.076
local terms energy: -73.343626
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -12.131
tors. eta vs tors. theta energy: -15.694
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: 6
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -223.310558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.310558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.391308 (E_RNA)
where:
Base-Base interactions energy: -164.397
where: short stacking energy: -64.033
Base-Backbone interact. energy: -0.245
local terms energy: -58.749471
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -10.953
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -5.729
tors. eta vs tors. theta energy: -16.183
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: 9
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -208.358955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.358955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.397981 (E_RNA)
where:
Base-Base interactions energy: -157.870
where: short stacking energy: -60.458
Base-Backbone interact. energy: -0.005
local terms energy: -50.523228
where:
bonds (distance) C4'-P energy: -8.908
bonds (distance) P-C4' energy: -10.554
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -5.624
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: 6, replica: 4
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -193.753055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.753055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.900943 (E_RNA)
where:
Base-Base interactions energy: -140.049
where: short stacking energy: -55.155
Base-Backbone interact. energy: -0.067
local terms energy: -60.784838
where:
bonds (distance) C4'-P energy: -10.181
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -7.632
tors. eta vs tors. theta energy: -16.348
Dist. restrs. and SS energy: 7.148 (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: 3
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -202.441025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.441025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.596811 (E_RNA)
where:
Base-Base interactions energy: -144.373
where: short stacking energy: -62.651
Base-Backbone interact. energy: -0.003
local terms energy: -58.221387
where:
bonds (distance) C4'-P energy: -9.529
bonds (distance) P-C4' energy: -9.586
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -14.366
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: 8, replica: 5
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -184.456223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.456223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.638142 (E_RNA)
where:
Base-Base interactions energy: -133.041
where: short stacking energy: -61.063
Base-Backbone interact. energy: 0.226
local terms energy: -58.823869
where:
bonds (distance) C4'-P energy: -10.397
bonds (distance) P-C4' energy: -11.199
flat angles C4'-P-C4' energy: -14.417
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -12.418
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: 9, replica: 2
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -192.424550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.424550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.481142 (E_RNA)
where:
Base-Base interactions energy: -138.217
where: short stacking energy: -50.274
Base-Backbone interact. energy: -0.032
local terms energy: -54.231991
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -11.518
flat angles C4'-P-C4' energy: -8.381
flat angles P-C4'-P energy: -6.542
tors. eta vs tors. theta energy: -14.231
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: 10, replica: 10
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -193.990565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.990565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.229942 (E_RNA)
where:
Base-Base interactions energy: -133.734
where: short stacking energy: -50.181
Base-Backbone interact. energy: -0.247
local terms energy: -60.248943
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -12.579
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: -10.802
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: 1, replica: 1
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -228.418661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.418661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.730837 (E_RNA)
where:
Base-Base interactions energy: -169.949
where: short stacking energy: -71.961
Base-Backbone interact. energy: -0.042
local terms energy: -58.739861
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -11.896
flat angles C4'-P-C4' energy: -10.492
flat angles P-C4'-P energy: -4.809
tors. eta vs tors. theta energy: -19.034
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: 2, replica: 7
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -219.809439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.809439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.809439 (E_RNA)
where:
Base-Base interactions energy: -159.385
where: short stacking energy: -61.217
Base-Backbone interact. energy: -0.002
local terms energy: -60.422060
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -11.786
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -6.367
tors. eta vs tors. theta energy: -14.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -222.491689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.491689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.611942 (E_RNA)
where:
Base-Base interactions energy: -161.390
where: short stacking energy: -59.530
Base-Backbone interact. energy: -0.134
local terms energy: -61.088165
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -12.406
flat angles P-C4'-P energy: -5.977
tors. eta vs tors. theta energy: -14.917
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: 4, replica: 9
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -208.844654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.844654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.844654 (E_RNA)
where:
Base-Base interactions energy: -143.676
where: short stacking energy: -60.814
Base-Backbone interact. energy: -0.001
local terms energy: -65.168259
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -11.398
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -15.055
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -203.390822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.390822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.433119 (E_RNA)
where:
Base-Base interactions energy: -145.050
where: short stacking energy: -55.649
Base-Backbone interact. energy: -0.222
local terms energy: -58.161148
where:
bonds (distance) C4'-P energy: -10.035
bonds (distance) P-C4' energy: -12.831
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -10.244
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: 3
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -205.841368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.841368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.921938 (E_RNA)
where:
Base-Base interactions energy: -146.615
where: short stacking energy: -61.714
Base-Backbone interact. energy: -0.240
local terms energy: -59.066609
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -11.985
flat angles C4'-P-C4' energy: -6.811
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -16.726
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: 4
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -187.247759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.247759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.755861 (E_RNA)
where:
Base-Base interactions energy: -136.833
where: short stacking energy: -58.188
Base-Backbone interact. energy: -0.781
local terms energy: -56.142051
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -8.379
flat angles C4'-P-C4' energy: -11.886
flat angles P-C4'-P energy: -7.706
tors. eta vs tors. theta energy: -14.289
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: 8, replica: 2
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -193.008835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.008835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.229541 (E_RNA)
where:
Base-Base interactions energy: -133.807
where: short stacking energy: -50.170
Base-Backbone interact. energy: -0.045
local terms energy: -59.377888
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -13.677
flat angles C4'-P-C4' energy: -9.650
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -14.103
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: 9, replica: 5
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -189.780453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.780453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.755017 (E_RNA)
where:
Base-Base interactions energy: -133.240
where: short stacking energy: -61.720
Base-Backbone interact. energy: -0.290
local terms energy: -64.224357
where:
bonds (distance) C4'-P energy: -12.599
bonds (distance) P-C4' energy: -12.442
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -16.210
Dist. restrs. and SS energy: 7.975 (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: 10
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -197.298103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.298103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.505139 (E_RNA)
where:
Base-Base interactions energy: -135.607
where: short stacking energy: -56.397
Base-Backbone interact. energy: -0.093
local terms energy: -61.804506
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -14.080
flat angles C4'-P-C4' energy: -11.913
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -13.417
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: 1, replica: 7
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -221.632943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.632943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.697407 (E_RNA)
where:
Base-Base interactions energy: -160.639
where: short stacking energy: -63.932
Base-Backbone interact. energy: -0.083
local terms energy: -60.975208
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -13.015
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -3.772
tors. eta vs tors. theta energy: -16.442
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: 1
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -229.872036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.872036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.983455 (E_RNA)
where:
Base-Base interactions energy: -166.460
where: short stacking energy: -72.913
Base-Backbone interact. energy: -0.002
local terms energy: -63.521584
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -12.101
flat angles P-C4'-P energy: -3.221
tors. eta vs tors. theta energy: -20.738
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: 3, replica: 9
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -225.039052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.039052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.051587 (E_RNA)
where:
Base-Base interactions energy: -152.590
where: short stacking energy: -59.470
Base-Backbone interact. energy: -0.006
local terms energy: -72.455550
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -17.442
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: 60
Temperature: 1.050000
Total energy: -215.658203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.658203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.677103 (E_RNA)
where:
Base-Base interactions energy: -162.730
where: short stacking energy: -65.912
Base-Backbone interact. energy: -0.021
local terms energy: -52.925731
where:
bonds (distance) C4'-P energy: -8.667
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -11.925
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -12.395
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: 3
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -210.489069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.489069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.675143 (E_RNA)
where:
Base-Base interactions energy: -148.343
where: short stacking energy: -59.425
Base-Backbone interact. energy: -0.111
local terms energy: -62.221276
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -8.426
flat angles C4'-P-C4' energy: -15.529
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -15.212
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: 6, replica: 6
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -213.101397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.101397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.107948 (E_RNA)
where:
Base-Base interactions energy: -152.421
where: short stacking energy: -64.836
Base-Backbone interact. energy: -0.000
local terms energy: -60.686886
where:
bonds (distance) C4'-P energy: -9.613
bonds (distance) P-C4' energy: -10.376
flat angles C4'-P-C4' energy: -11.618
flat angles P-C4'-P energy: -12.286
tors. eta vs tors. theta energy: -16.793
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: 60
Temperature: 1.200000
Total energy: -182.880140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.880140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.763965 (E_RNA)
where:
Base-Base interactions energy: -128.705
where: short stacking energy: -55.744
Base-Backbone interact. energy: -0.001
local terms energy: -62.058631
where:
bonds (distance) C4'-P energy: -12.280
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -12.629
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: 8, replica: 2
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -202.570439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.570439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.663562 (E_RNA)
where:
Base-Base interactions energy: -152.522
where: short stacking energy: -58.971
Base-Backbone interact. energy: 0.440
local terms energy: -50.581509
where:
bonds (distance) C4'-P energy: -10.290
bonds (distance) P-C4' energy: -8.051
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -6.613
tors. eta vs tors. theta energy: -12.715
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: 9, replica: 10
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -187.340192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.340192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.462871 (E_RNA)
where:
Base-Base interactions energy: -137.820
where: short stacking energy: -52.078
Base-Backbone interact. energy: -0.020
local terms energy: -49.622227
where:
bonds (distance) C4'-P energy: -10.734
bonds (distance) P-C4' energy: -7.027
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -3.990
tors. eta vs tors. theta energy: -14.432
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: 5
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -176.256376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.256376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.479050 (E_RNA)
where:
Base-Base interactions energy: -134.117
where: short stacking energy: -54.641
Base-Backbone interact. energy: -0.001
local terms energy: -48.361760
where:
bonds (distance) C4'-P energy: -8.856
bonds (distance) P-C4' energy: -7.532
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -5.682
tors. eta vs tors. theta energy: -13.403
Dist. restrs. and SS energy: 6.223 (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: 7
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -215.941184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.941184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.081880 (E_RNA)
where:
Base-Base interactions energy: -145.358
where: short stacking energy: -65.849
Base-Backbone interact. energy: -0.239
local terms energy: -70.484960
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -11.166
tors. eta vs tors. theta energy: -18.918
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: 9
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -218.955899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.955899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.989471 (E_RNA)
where:
Base-Base interactions energy: -152.215
where: short stacking energy: -65.565
Base-Backbone interact. energy: -0.003
local terms energy: -66.771051
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -11.211
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -17.986
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: 1
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -220.475016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.475016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.476464 (E_RNA)
where:
Base-Base interactions energy: -155.025
where: short stacking energy: -65.257
Base-Backbone interact. energy: -0.083
local terms energy: -65.368160
where:
bonds (distance) C4'-P energy: -11.090
bonds (distance) P-C4' energy: -14.510
flat angles C4'-P-C4' energy: -13.141
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -16.154
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: 3
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -224.968053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.968053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.993913 (E_RNA)
where:
Base-Base interactions energy: -159.903
where: short stacking energy: -60.539
Base-Backbone interact. energy: -0.002
local terms energy: -65.089123
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -13.312
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -7.886
tors. eta vs tors. theta energy: -16.133
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: 8
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -208.085079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.085079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.176968 (E_RNA)
where:
Base-Base interactions energy: -149.228
where: short stacking energy: -65.222
Base-Backbone interact. energy: -0.041
local terms energy: -58.907801
where:
bonds (distance) C4'-P energy: -9.370
bonds (distance) P-C4' energy: -16.218
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -4.815
tors. eta vs tors. theta energy: -15.029
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: 4
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -188.558456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.558456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.314665 (E_RNA)
where:
Base-Base interactions energy: -134.560
where: short stacking energy: -57.911
Base-Backbone interact. energy: -0.409
local terms energy: -61.346088
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -8.886
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -11.915
tors. eta vs tors. theta energy: -12.950
Dist. restrs. and SS energy: 7.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -199.466303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.466303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.542674 (E_RNA)
where:
Base-Base interactions energy: -136.109
where: short stacking energy: -57.177
Base-Backbone interact. energy: -0.213
local terms energy: -63.220516
where:
bonds (distance) C4'-P energy: -11.040
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -11.974
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -17.238
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: 2
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -201.869560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.869560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.869560 (E_RNA)
where:
Base-Base interactions energy: -138.691
where: short stacking energy: -53.601
Base-Backbone interact. energy: -0.528
local terms energy: -62.650542
where:
bonds (distance) C4'-P energy: -10.239
bonds (distance) P-C4' energy: -13.139
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -14.803
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -198.185465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.185465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.276148 (E_RNA)
where:
Base-Base interactions energy: -139.765
where: short stacking energy: -51.806
Base-Backbone interact. energy: -0.023
local terms energy: -58.488198
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -10.413
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: 10, replica: 5
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -165.891811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.891811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.628439 (E_RNA)
where:
Base-Base interactions energy: -117.601
where: short stacking energy: -49.781
Base-Backbone interact. energy: -0.779
local terms energy: -54.248406
where:
bonds (distance) C4'-P energy: -9.011
bonds (distance) P-C4' energy: -11.013
flat angles C4'-P-C4' energy: -10.908
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -12.771
Dist. restrs. and SS energy: 6.737 (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: 9
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -219.398733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.398733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.426579 (E_RNA)
where:
Base-Base interactions energy: -152.207
where: short stacking energy: -64.212
Base-Backbone interact. energy: -0.202
local terms energy: -67.017736
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -10.467
tors. eta vs tors. theta energy: -15.401
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: 7
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -221.114034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.114034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.155993 (E_RNA)
where:
Base-Base interactions energy: -150.096
where: short stacking energy: -61.021
Base-Backbone interact. energy: -0.001
local terms energy: -71.059027
where:
bonds (distance) C4'-P energy: -12.458
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -17.298
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: 3
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -211.898179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.898179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.898179 (E_RNA)
where:
Base-Base interactions energy: -145.338
where: short stacking energy: -59.852
Base-Backbone interact. energy: -0.000
local terms energy: -66.560033
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -11.877
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -15.399
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -206.400979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.400979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.434888 (E_RNA)
where:
Base-Base interactions energy: -141.021
where: short stacking energy: -53.545
Base-Backbone interact. energy: 0.105
local terms energy: -65.518890
where:
bonds (distance) C4'-P energy: -14.768
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -12.475
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -13.277
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: 8
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -210.656076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.656076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.703337 (E_RNA)
where:
Base-Base interactions energy: -152.927
where: short stacking energy: -59.335
Base-Backbone interact. energy: -0.035
local terms energy: -57.741074
where:
bonds (distance) C4'-P energy: -11.043
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -11.776
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: -14.789
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: 4
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -196.277750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.277750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.139104 (E_RNA)
where:
Base-Base interactions energy: -136.403
where: short stacking energy: -60.638
Base-Backbone interact. energy: -0.000
local terms energy: -67.735730
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -17.896
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: 7, replica: 2
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -203.186440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.186440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.273250 (E_RNA)
where:
Base-Base interactions energy: -140.857
where: short stacking energy: -53.669
Base-Backbone interact. energy: -0.068
local terms energy: -62.347973
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -12.228
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: -13.260
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: 8, replica: 6
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -197.676211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.676211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.690462 (E_RNA)
where:
Base-Base interactions energy: -137.039
where: short stacking energy: -54.675
Base-Backbone interact. energy: -1.021
local terms energy: -59.630556
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -9.967
flat angles C4'-P-C4' energy: -11.198
flat angles P-C4'-P energy: -11.021
tors. eta vs tors. theta energy: -13.943
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: 62
Temperature: 1.300000
Total energy: -171.673089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.673089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.614207 (E_RNA)
where:
Base-Base interactions energy: -124.595
where: short stacking energy: -51.492
Base-Backbone interact. energy: -0.515
local terms energy: -54.504517
where:
bonds (distance) C4'-P energy: -10.442
bonds (distance) P-C4' energy: -11.513
flat angles C4'-P-C4' energy: -10.433
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -12.849
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: 10, replica: 10
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -199.085341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.085341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.085341 (E_RNA)
where:
Base-Base interactions energy: -141.980
where: short stacking energy: -51.851
Base-Backbone interact. energy: -0.102
local terms energy: -57.002778
where:
bonds (distance) C4'-P energy: -11.175
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -10.867
flat angles P-C4'-P energy: -7.424
tors. eta vs tors. theta energy: -15.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -225.471083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.471083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.512564 (E_RNA)
where:
Base-Base interactions energy: -163.895
where: short stacking energy: -67.988
Base-Backbone interact. energy: -0.261
local terms energy: -61.356446
where:
bonds (distance) C4'-P energy: -8.692
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -4.666
tors. eta vs tors. theta energy: -17.011
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: 7
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -218.460428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.460428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.472076 (E_RNA)
where:
Base-Base interactions energy: -162.324
where: short stacking energy: -60.445
Base-Backbone interact. energy: -0.001
local terms energy: -56.147327
where:
bonds (distance) C4'-P energy: -10.082
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -1.493
tors. eta vs tors. theta energy: -15.529
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: 63
Temperature: 1.000000
Total energy: -211.933637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.933637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.112118 (E_RNA)
where:
Base-Base interactions energy: -151.847
where: short stacking energy: -61.181
Base-Backbone interact. energy: -0.101
local terms energy: -60.163861
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -10.395
flat angles C4'-P-C4' energy: -12.129
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -13.680
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: 4, replica: 8
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -216.866522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.866522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.080756 (E_RNA)
where:
Base-Base interactions energy: -154.666
where: short stacking energy: -65.869
Base-Backbone interact. energy: -0.001
local terms energy: -62.413563
where:
bonds (distance) C4'-P energy: -12.151
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: -15.474
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: 1
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -219.994950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.994950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.994950 (E_RNA)
where:
Base-Base interactions energy: -155.797
where: short stacking energy: -59.570
Base-Backbone interact. energy: -0.124
local terms energy: -64.073501
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -6.761
tors. eta vs tors. theta energy: -17.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -201.879468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.879468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.984104 (E_RNA)
where:
Base-Base interactions energy: -139.683
where: short stacking energy: -58.756
Base-Backbone interact. energy: -0.002
local terms energy: -62.298747
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -10.664
flat angles P-C4'-P energy: -12.239
tors. eta vs tors. theta energy: -15.685
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: 4
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -186.193815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.193815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.801572 (E_RNA)
where:
Base-Base interactions energy: -133.250
where: short stacking energy: -56.310
Base-Backbone interact. energy: -0.119
local terms energy: -61.432068
where:
bonds (distance) C4'-P energy: -11.332
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -11.088
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -13.587
Dist. restrs. and SS energy: 8.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -186.014797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.014797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.966552 (E_RNA)
where:
Base-Base interactions energy: -133.515
where: short stacking energy: -63.585
Base-Backbone interact. energy: -0.001
local terms energy: -60.451413
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -10.049
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -6.321
tors. eta vs tors. theta energy: -15.765
Dist. restrs. and SS energy: 7.952 (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: 6
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -196.245880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.245880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.431763 (E_RNA)
where:
Base-Base interactions energy: -131.392
where: short stacking energy: -52.467
Base-Backbone interact. energy: 0.404
local terms energy: -65.444552
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -11.607
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -16.130
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: 10, replica: 10
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -191.591951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.591951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.609051 (E_RNA)
where:
Base-Base interactions energy: -129.930
where: short stacking energy: -49.191
Base-Backbone interact. energy: -0.102
local terms energy: -61.577260
where:
bonds (distance) C4'-P energy: -8.986
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -15.148
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: 9
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -230.606676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.606676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.608737 (E_RNA)
where:
Base-Base interactions energy: -168.834
where: short stacking energy: -66.097
Base-Backbone interact. energy: -0.000
local terms energy: -61.774281
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -11.721
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -5.897
tors. eta vs tors. theta energy: -17.446
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: 64
Temperature: 0.950000
Total energy: -213.613409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.613409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.618065 (E_RNA)
where:
Base-Base interactions energy: -146.010
where: short stacking energy: -60.667
Base-Backbone interact. energy: -0.007
local terms energy: -67.600283
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -14.817
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: 8
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -225.631387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.631387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.631387 (E_RNA)
where:
Base-Base interactions energy: -173.655
where: short stacking energy: -68.595
Base-Backbone interact. energy: -0.037
local terms energy: -51.940041
where:
bonds (distance) C4'-P energy: -10.361
bonds (distance) P-C4' energy: -8.573
flat angles C4'-P-C4' energy: -12.129
flat angles P-C4'-P energy: -3.556
tors. eta vs tors. theta energy: -17.321
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -208.080229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.080229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.115375 (E_RNA)
where:
Base-Base interactions energy: -146.050
where: short stacking energy: -52.801
Base-Backbone interact. energy: -0.181
local terms energy: -61.884587
where:
bonds (distance) C4'-P energy: -12.896
bonds (distance) P-C4' energy: -13.015
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -7.690
tors. eta vs tors. theta energy: -14.685
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: 2
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -206.208247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.208247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.305589 (E_RNA)
where:
Base-Base interactions energy: -151.871
where: short stacking energy: -58.495
Base-Backbone interact. energy: -0.000
local terms energy: -54.434434
where:
bonds (distance) C4'-P energy: -11.173
bonds (distance) P-C4' energy: -10.042
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -5.106
tors. eta vs tors. theta energy: -15.299
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: 64
Temperature: 1.150000
Total energy: -202.691857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.691857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.922257 (E_RNA)
where:
Base-Base interactions energy: -140.829
where: short stacking energy: -61.037
Base-Backbone interact. energy: 0.064
local terms energy: -62.157283
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -10.966
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -7.850
tors. eta vs tors. theta energy: -15.016
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: 4
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -186.318292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.318292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.973344 (E_RNA)
where:
Base-Base interactions energy: -137.071
where: short stacking energy: -56.454
Base-Backbone interact. energy: -0.149
local terms energy: -55.753752
where:
bonds (distance) C4'-P energy: -10.682
bonds (distance) P-C4' energy: -10.939
flat angles C4'-P-C4' energy: -7.852
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -15.071
Dist. restrs. and SS energy: 6.655 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -176.135459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.135459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.408469 (E_RNA)
where:
Base-Base interactions energy: -125.497
where: short stacking energy: -58.382
Base-Backbone interact. energy: 0.819
local terms energy: -58.730234
where:
bonds (distance) C4'-P energy: -8.839
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -7.046
tors. eta vs tors. theta energy: -15.672
Dist. restrs. and SS energy: 7.273 (S_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: 64
Temperature: 1.300000
Total energy: -196.902671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.902671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.924570 (E_RNA)
where:
Base-Base interactions energy: -147.154
where: short stacking energy: -58.849
Base-Backbone interact. energy: 0.471
local terms energy: -50.242188
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -11.738
flat angles C4'-P-C4' energy: -10.110
flat angles P-C4'-P energy: -3.527
tors. eta vs tors. theta energy: -13.507
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: 6
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -191.552618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.552618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.703006 (E_RNA)
where:
Base-Base interactions energy: -137.335
where: short stacking energy: -55.171
Base-Backbone interact. energy: -0.016
local terms energy: -54.351550
where:
bonds (distance) C4'-P energy: -9.213
bonds (distance) P-C4' energy: -10.343
flat angles C4'-P-C4' energy: -9.945
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: -17.220
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: 1, replica: 9
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -219.716393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.716393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.788515 (E_RNA)
where:
Base-Base interactions energy: -151.983
where: short stacking energy: -62.191
Base-Backbone interact. energy: -0.042
local terms energy: -67.763699
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -15.351
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: 65
Temperature: 0.950000
Total energy: -220.059111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.059111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.198282 (E_RNA)
where:
Base-Base interactions energy: -160.661
where: short stacking energy: -62.138
Base-Backbone interact. energy: -0.040
local terms energy: -59.497157
where:
bonds (distance) C4'-P energy: -11.036
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -3.430
tors. eta vs tors. theta energy: -17.205
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: 7
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -214.998574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.998574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.052172 (E_RNA)
where:
Base-Base interactions energy: -155.571
where: short stacking energy: -59.982
Base-Backbone interact. energy: -0.871
local terms energy: -58.610225
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -0.316
tors. eta vs tors. theta energy: -15.866
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: 2
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -217.135255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.135255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.135255 (E_RNA)
where:
Base-Base interactions energy: -153.685
where: short stacking energy: -58.423
Base-Backbone interact. energy: -0.073
local terms energy: -63.377056
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -5.635
tors. eta vs tors. theta energy: -18.485
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -204.082281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.082281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.166499 (E_RNA)
where:
Base-Base interactions energy: -141.413
where: short stacking energy: -54.708
Base-Backbone interact. energy: -0.118
local terms energy: -62.635406
where:
bonds (distance) C4'-P energy: -7.805
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -16.531
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: 4
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -196.635978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.635978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.240474 (E_RNA)
where:
Base-Base interactions energy: -147.697
where: short stacking energy: -66.381
Base-Backbone interact. energy: -0.520
local terms energy: -57.024005
where:
bonds (distance) C4'-P energy: -6.359
bonds (distance) P-C4' energy: -9.194
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -18.234
Dist. restrs. and SS energy: 8.604 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -206.062001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.062001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.111401 (E_RNA)
where:
Base-Base interactions energy: -142.156
where: short stacking energy: -55.738
Base-Backbone interact. energy: -0.277
local terms energy: -63.678485
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -12.816
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -13.426
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: 65
Temperature: 1.250000
Total energy: -202.673681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.673681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.706758 (E_RNA)
where:
Base-Base interactions energy: -140.015
where: short stacking energy: -54.765
Base-Backbone interact. energy: -0.002
local terms energy: -62.689175
where:
bonds (distance) C4'-P energy: -9.994
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -16.129
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: 65
Temperature: 1.300000
Total energy: -178.184210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.184210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.649230 (E_RNA)
where:
Base-Base interactions energy: -125.606
where: short stacking energy: -50.553
Base-Backbone interact. energy: -1.182
local terms energy: -57.861661
where:
bonds (distance) C4'-P energy: -7.152
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -11.769
tors. eta vs tors. theta energy: -14.712
Dist. restrs. and SS energy: 6.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -197.228951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.228951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.527943 (E_RNA)
where:
Base-Base interactions energy: -137.246
where: short stacking energy: -58.474
Base-Backbone interact. energy: -0.009
local terms energy: -60.272986
where:
bonds (distance) C4'-P energy: -8.900
bonds (distance) P-C4' energy: -11.034
flat angles C4'-P-C4' energy: -12.586
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -18.226
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: 1, replica: 8
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -231.175784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.175784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.175784 (E_RNA)
where:
Base-Base interactions energy: -167.341
where: short stacking energy: -67.374
Base-Backbone interact. energy: -0.023
local terms energy: -63.812358
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -12.686
flat angles C4'-P-C4' energy: -14.390
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: -14.498
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -218.685356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.685356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.704437 (E_RNA)
where:
Base-Base interactions energy: -153.415
where: short stacking energy: -64.683
Base-Backbone interact. energy: -0.034
local terms energy: -65.255511
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -10.578
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -17.038
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: 66
Temperature: 1.000000
Total energy: -213.521757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.521757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.558426 (E_RNA)
where:
Base-Base interactions energy: -149.582
where: short stacking energy: -63.624
Base-Backbone interact. energy: -0.530
local terms energy: -63.445881
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -13.805
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -8.035
tors. eta vs tors. theta energy: -14.381
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: 7
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -211.681271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.681271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.715187 (E_RNA)
where:
Base-Base interactions energy: -147.803
where: short stacking energy: -59.856
Base-Backbone interact. energy: -0.016
local terms energy: -63.895258
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -7.757
tors. eta vs tors. theta energy: -18.323
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: 4
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -195.077174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.077174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.629313 (E_RNA)
where:
Base-Base interactions energy: -140.762
where: short stacking energy: -59.431
Base-Backbone interact. energy: -1.138
local terms energy: -61.729319
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -11.262
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -8.544
tors. eta vs tors. theta energy: -19.046
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: 6, replica: 3
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -203.080428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.080428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.107303 (E_RNA)
where:
Base-Base interactions energy: -144.027
where: short stacking energy: -58.376
Base-Backbone interact. energy: 0.044
local terms energy: -59.124271
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -12.123
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -11.885
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: 1
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -202.261414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.261414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.265875 (E_RNA)
where:
Base-Base interactions energy: -149.436
where: short stacking energy: -53.850
Base-Backbone interact. energy: -1.474
local terms energy: -51.355523
where:
bonds (distance) C4'-P energy: -10.914
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -4.659
tors. eta vs tors. theta energy: -10.135
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: 8, replica: 10
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -201.498600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.498600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.591419 (E_RNA)
where:
Base-Base interactions energy: -141.768
where: short stacking energy: -55.269
Base-Backbone interact. energy: -0.098
local terms energy: -59.725376
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -10.912
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -8.316
tors. eta vs tors. theta energy: -13.891
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: 9, replica: 6
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -192.927478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.927478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.977430 (E_RNA)
where:
Base-Base interactions energy: -136.699
where: short stacking energy: -53.463
Base-Backbone interact. energy: -0.105
local terms energy: -56.173544
where:
bonds (distance) C4'-P energy: -11.456
bonds (distance) P-C4' energy: -10.124
flat angles C4'-P-C4' energy: -10.458
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -11.750
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: 5
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -179.142725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.142725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.549928 (E_RNA)
where:
Base-Base interactions energy: -133.605
where: short stacking energy: -55.418
Base-Backbone interact. energy: -0.065
local terms energy: -52.879768
where:
bonds (distance) C4'-P energy: -7.336
bonds (distance) P-C4' energy: -10.547
flat angles C4'-P-C4' energy: -11.892
flat angles P-C4'-P energy: -6.263
tors. eta vs tors. theta energy: -16.842
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: 1, replica: 8
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -230.288553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.288553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.289589 (E_RNA)
where:
Base-Base interactions energy: -167.719
where: short stacking energy: -64.622
Base-Backbone interact. energy: -0.005
local terms energy: -62.565361
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -14.370
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -14.299
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: 67
Temperature: 0.950000
Total energy: -227.425276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.425276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.447245 (E_RNA)
where:
Base-Base interactions energy: -164.318
where: short stacking energy: -64.899
Base-Backbone interact. energy: -0.003
local terms energy: -63.126920
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -7.402
tors. eta vs tors. theta energy: -15.970
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: 9
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -212.963818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.963818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.195993 (E_RNA)
where:
Base-Base interactions energy: -153.747
where: short stacking energy: -60.454
Base-Backbone interact. energy: 0.112
local terms energy: -59.561016
where:
bonds (distance) C4'-P energy: -10.515
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -6.688
tors. eta vs tors. theta energy: -14.310
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: 4, replica: 7
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -216.550522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.550522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.550522 (E_RNA)
where:
Base-Base interactions energy: -159.875
where: short stacking energy: -64.651
Base-Backbone interact. energy: 0.348
local terms energy: -57.024324
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -0.421
tors. eta vs tors. theta energy: -14.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -202.474800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.474800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.647357 (E_RNA)
where:
Base-Base interactions energy: -139.769
where: short stacking energy: -61.216
Base-Backbone interact. energy: -0.001
local terms energy: -70.877737
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -17.670
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: 6, replica: 1
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -204.383917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.383917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.501466 (E_RNA)
where:
Base-Base interactions energy: -146.220
where: short stacking energy: -62.540
Base-Backbone interact. energy: -0.130
local terms energy: -58.150941
where:
bonds (distance) C4'-P energy: -10.654
bonds (distance) P-C4' energy: -9.315
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -15.079
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: 3
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -200.280982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.280982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.280982 (E_RNA)
where:
Base-Base interactions energy: -142.831
where: short stacking energy: -56.180
Base-Backbone interact. energy: 0.048
local terms energy: -57.498493
where:
bonds (distance) C4'-P energy: -8.994
bonds (distance) P-C4' energy: -11.209
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -14.174
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -198.347048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.347048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.366177 (E_RNA)
where:
Base-Base interactions energy: -140.607
where: short stacking energy: -58.999
Base-Backbone interact. energy: -0.673
local terms energy: -57.085971
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -11.500
flat angles P-C4'-P energy: -5.573
tors. eta vs tors. theta energy: -15.387
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: 10
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -198.244805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.244805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.273557 (E_RNA)
where:
Base-Base interactions energy: -141.615
where: short stacking energy: -55.391
Base-Backbone interact. energy: -0.008
local terms energy: -56.650931
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -8.858
flat angles C4'-P-C4' energy: -9.860
flat angles P-C4'-P energy: -8.074
tors. eta vs tors. theta energy: -15.943
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: 5
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -173.623330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.623330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.970272 (E_RNA)
where:
Base-Base interactions energy: -133.793
where: short stacking energy: -52.739
Base-Backbone interact. energy: -0.344
local terms energy: -46.833614
where:
bonds (distance) C4'-P energy: -5.766
bonds (distance) P-C4' energy: -10.373
flat angles C4'-P-C4' energy: -10.244
flat angles P-C4'-P energy: -7.630
tors. eta vs tors. theta energy: -12.821
Dist. restrs. and SS energy: 7.347 (S_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: 68
Temperature: 0.900000
Total energy: -230.429781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.429781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.533927 (E_RNA)
where:
Base-Base interactions energy: -165.044
where: short stacking energy: -68.795
Base-Backbone interact. energy: -0.099
local terms energy: -65.391064
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -12.074
flat angles P-C4'-P energy: -5.781
tors. eta vs tors. theta energy: -17.779
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: 2, replica: 2
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -214.352282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.352282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.366479 (E_RNA)
where:
Base-Base interactions energy: -149.408
where: short stacking energy: -60.952
Base-Backbone interact. energy: -0.353
local terms energy: -64.606270
where:
bonds (distance) C4'-P energy: -10.525
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -12.246
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -15.223
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: 7
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -225.207474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.207474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.325211 (E_RNA)
where:
Base-Base interactions energy: -166.138
where: short stacking energy: -68.222
Base-Backbone interact. energy: -0.195
local terms energy: -58.992160
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -13.115
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -4.628
tors. eta vs tors. theta energy: -16.484
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: 9
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -210.288005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.288005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.315226 (E_RNA)
where:
Base-Base interactions energy: -146.267
where: short stacking energy: -58.769
Base-Backbone interact. energy: -0.014
local terms energy: -64.034940
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -9.043
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -16.253
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: 1
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -210.259197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.259197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.348579 (E_RNA)
where:
Base-Base interactions energy: -150.111
where: short stacking energy: -61.287
Base-Backbone interact. energy: 0.228
local terms energy: -60.465055
where:
bonds (distance) C4'-P energy: -9.817
bonds (distance) P-C4' energy: -12.710
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -6.457
tors. eta vs tors. theta energy: -17.366
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: 4
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -181.021023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.021023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.410586 (E_RNA)
where:
Base-Base interactions energy: -131.748
where: short stacking energy: -55.242
Base-Backbone interact. energy: -0.007
local terms energy: -57.656237
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -13.193
flat angles C4'-P-C4' energy: -13.113
flat angles P-C4'-P energy: -7.313
tors. eta vs tors. theta energy: -11.552
Dist. restrs. and SS energy: 8.390 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -203.144392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.144392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.167658 (E_RNA)
where:
Base-Base interactions energy: -140.697
where: short stacking energy: -58.618
Base-Backbone interact. energy: -0.000
local terms energy: -62.470078
where:
bonds (distance) C4'-P energy: -10.894
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -12.863
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: -16.533
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: 68
Temperature: 1.250000
Total energy: -200.752985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.752985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.796689 (E_RNA)
where:
Base-Base interactions energy: -141.234
where: short stacking energy: -59.760
Base-Backbone interact. energy: -0.187
local terms energy: -59.375408
where:
bonds (distance) C4'-P energy: -8.666
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -10.841
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -16.836
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: 10
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -193.435177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.435177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.592917 (E_RNA)
where:
Base-Base interactions energy: -133.609
where: short stacking energy: -50.752
Base-Backbone interact. energy: -0.025
local terms energy: -59.958634
where:
bonds (distance) C4'-P energy: -9.856
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -6.730
tors. eta vs tors. theta energy: -15.053
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: 5
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -178.553128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.553128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.783068 (E_RNA)
where:
Base-Base interactions energy: -134.433
where: short stacking energy: -55.041
Base-Backbone interact. energy: -0.139
local terms energy: -51.211384
where:
bonds (distance) C4'-P energy: -9.508
bonds (distance) P-C4' energy: -11.095
flat angles C4'-P-C4' energy: -10.576
flat angles P-C4'-P energy: -5.786
tors. eta vs tors. theta energy: -14.247
Dist. restrs. and SS energy: 7.230 (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: 8
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -232.700341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.700341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.711242 (E_RNA)
where:
Base-Base interactions energy: -170.460
where: short stacking energy: -64.072
Base-Backbone interact. energy: -0.022
local terms energy: -62.229877
where:
bonds (distance) C4'-P energy: -12.192
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -5.745
tors. eta vs tors. theta energy: -15.649
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: 2
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -216.289204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.289204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.363754 (E_RNA)
where:
Base-Base interactions energy: -149.906
where: short stacking energy: -63.668
Base-Backbone interact. energy: -0.156
local terms energy: -66.301605
where:
bonds (distance) C4'-P energy: -12.593
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: -16.834
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: 7
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -208.375190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.375190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.445179 (E_RNA)
where:
Base-Base interactions energy: -147.958
where: short stacking energy: -53.798
Base-Backbone interact. energy: -0.045
local terms energy: -60.442223
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -6.017
tors. eta vs tors. theta energy: -14.262
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: 1
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -222.299047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.299047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.314596 (E_RNA)
where:
Base-Base interactions energy: -156.797
where: short stacking energy: -65.569
Base-Backbone interact. energy: -0.001
local terms energy: -65.516225
where:
bonds (distance) C4'-P energy: -9.981
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -11.891
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: -20.259
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: 9
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -210.185934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.185934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.244746 (E_RNA)
where:
Base-Base interactions energy: -143.966
where: short stacking energy: -61.708
Base-Backbone interact. energy: -0.299
local terms energy: -65.979794
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -16.473
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: 6
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -204.697326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.697326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.722794 (E_RNA)
where:
Base-Base interactions energy: -146.389
where: short stacking energy: -57.733
Base-Backbone interact. energy: -0.001
local terms energy: -58.332652
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -10.748
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -14.628
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: 69
Temperature: 1.200000
Total energy: -186.272321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.272321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.431513 (E_RNA)
where:
Base-Base interactions energy: -137.480
where: short stacking energy: -54.457
Base-Backbone interact. energy: -0.100
local terms energy: -55.850691
where:
bonds (distance) C4'-P energy: -8.863
bonds (distance) P-C4' energy: -11.817
flat angles C4'-P-C4' energy: -12.117
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -14.709
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: 8, replica: 10
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -192.583041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.583041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.822329 (E_RNA)
where:
Base-Base interactions energy: -136.215
where: short stacking energy: -51.159
Base-Backbone interact. energy: -0.087
local terms energy: -56.519964
where:
bonds (distance) C4'-P energy: -8.650
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -10.369
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: 9, replica: 3
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -200.689216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.689216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.739465 (E_RNA)
where:
Base-Base interactions energy: -138.254
where: short stacking energy: -57.675
Base-Backbone interact. energy: -0.076
local terms energy: -62.408901
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -11.866
flat angles C4'-P-C4' energy: -13.894
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -16.213
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: 5
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -178.154223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.154223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.854072 (E_RNA)
where:
Base-Base interactions energy: -122.759
where: short stacking energy: -56.773
Base-Backbone interact. energy: -0.153
local terms energy: -61.942037
where:
bonds (distance) C4'-P energy: -10.732
bonds (distance) P-C4' energy: -11.838
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -15.175
Dist. restrs. and SS energy: 6.700 (S_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: 70
Temperature: 0.900000
Total energy: -229.781251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.781251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.806115 (E_RNA)
where:
Base-Base interactions energy: -168.429
where: short stacking energy: -67.304
Base-Backbone interact. energy: -0.020
local terms energy: -61.357664
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -3.749
tors. eta vs tors. theta energy: -15.703
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: 2
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -221.060032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.060032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.060032 (E_RNA)
where:
Base-Base interactions energy: -153.538
where: short stacking energy: -67.018
Base-Backbone interact. energy: -0.000
local terms energy: -67.521862
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -15.562
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -224.856848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.856848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.974378 (E_RNA)
where:
Base-Base interactions energy: -160.167
where: short stacking energy: -71.814
Base-Backbone interact. energy: -0.294
local terms energy: -64.513268
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -7.354
tors. eta vs tors. theta energy: -16.780
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: 70
Temperature: 1.050000
Total energy: -209.879013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.879013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.942835 (E_RNA)
where:
Base-Base interactions energy: -147.043
where: short stacking energy: -62.108
Base-Backbone interact. energy: -0.069
local terms energy: -62.831094
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -9.923
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -17.002
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: 6
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -211.426393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.426393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.622871 (E_RNA)
where:
Base-Base interactions energy: -155.583
where: short stacking energy: -60.420
Base-Backbone interact. energy: -0.033
local terms energy: -56.006518
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -7.757
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -5.276
tors. eta vs tors. theta energy: -14.729
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: 6, replica: 9
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -203.926202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.926202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.037940 (E_RNA)
where:
Base-Base interactions energy: -140.451
where: short stacking energy: -58.998
Base-Backbone interact. energy: -0.897
local terms energy: -62.690376
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -8.966
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -17.009
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: 10
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -198.980685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.980685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.005419 (E_RNA)
where:
Base-Base interactions energy: -152.682
where: short stacking energy: -57.649
Base-Backbone interact. energy: -0.164
local terms energy: -46.159114
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -6.716
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -0.728
tors. eta vs tors. theta energy: -10.801
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: 70
Temperature: 1.250000
Total energy: -182.049680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.049680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.177460 (E_RNA)
where:
Base-Base interactions energy: -133.820
where: short stacking energy: -58.457
Base-Backbone interact. energy: 2.277
local terms energy: -58.634359
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -7.013
tors. eta vs tors. theta energy: -14.283
Dist. restrs. and SS energy: 8.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -180.773696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.773696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.265800 (E_RNA)
where:
Base-Base interactions energy: -121.929
where: short stacking energy: -50.966
Base-Backbone interact. energy: -0.798
local terms energy: -64.538326
where:
bonds (distance) C4'-P energy: -10.838
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -15.702
Dist. restrs. and SS energy: 6.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -189.931619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.931619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.190568 (E_RNA)
where:
Base-Base interactions energy: -135.196
where: short stacking energy: -62.257
Base-Backbone interact. energy: -0.240
local terms energy: -54.753994
where:
bonds (distance) C4'-P energy: -11.750
bonds (distance) P-C4' energy: -12.741
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -2.960
tors. eta vs tors. theta energy: -15.238
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: 1, replica: 8
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -226.287815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.287815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.302970 (E_RNA)
where:
Base-Base interactions energy: -166.328
where: short stacking energy: -65.321
Base-Backbone interact. energy: -0.097
local terms energy: -59.878840
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -4.864
tors. eta vs tors. theta energy: -13.878
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: 2
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -216.144606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.144606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.198272 (E_RNA)
where:
Base-Base interactions energy: -150.672
where: short stacking energy: -62.526
Base-Backbone interact. energy: -0.048
local terms energy: -65.478138
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -12.272
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -17.442
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: 1
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -213.342302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.342302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.344958 (E_RNA)
where:
Base-Base interactions energy: -149.162
where: short stacking energy: -58.598
Base-Backbone interact. energy: -0.064
local terms energy: -64.118636
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -13.817
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: 7
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -208.963371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.963371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.000234 (E_RNA)
where:
Base-Base interactions energy: -151.054
where: short stacking energy: -55.668
Base-Backbone interact. energy: -0.158
local terms energy: -57.788873
where:
bonds (distance) C4'-P energy: -9.375
bonds (distance) P-C4' energy: -11.947
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -14.892
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: 6
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -210.264408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.264408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.269024 (E_RNA)
where:
Base-Base interactions energy: -149.041
where: short stacking energy: -61.477
Base-Backbone interact. energy: -0.000
local terms energy: -61.227558
where:
bonds (distance) C4'-P energy: -9.293
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -12.501
flat angles P-C4'-P energy: -7.442
tors. eta vs tors. theta energy: -18.260
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: 10
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -208.441941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.441941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.441941 (E_RNA)
where:
Base-Base interactions energy: -146.747
where: short stacking energy: -57.228
Base-Backbone interact. energy: -0.692
local terms energy: -61.003480
where:
bonds (distance) C4'-P energy: -9.710
bonds (distance) P-C4' energy: -12.686
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -14.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -206.787394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.787394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.802970 (E_RNA)
where:
Base-Base interactions energy: -151.419
where: short stacking energy: -63.163
Base-Backbone interact. energy: -0.001
local terms energy: -55.382852
where:
bonds (distance) C4'-P energy: -11.321
bonds (distance) P-C4' energy: -8.387
flat angles C4'-P-C4' energy: -10.297
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -14.677
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: 71
Temperature: 1.250000
Total energy: -180.170237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.170237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.946733 (E_RNA)
where:
Base-Base interactions energy: -119.288
where: short stacking energy: -54.535
Base-Backbone interact. energy: -0.294
local terms energy: -68.364191
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -12.226
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -15.869
Dist. restrs. and SS energy: 7.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -176.220329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.220329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.231872 (E_RNA)
where:
Base-Base interactions energy: -129.356
where: short stacking energy: -54.075
Base-Backbone interact. energy: -0.432
local terms energy: -52.444317
where:
bonds (distance) C4'-P energy: -9.553
bonds (distance) P-C4' energy: -10.605
flat angles C4'-P-C4' energy: -11.068
flat angles P-C4'-P energy: -5.553
tors. eta vs tors. theta energy: -15.665
Dist. restrs. and SS energy: 6.012 (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: 3
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -195.956110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.956110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.184048 (E_RNA)
where:
Base-Base interactions energy: -143.735
where: short stacking energy: -56.315
Base-Backbone interact. energy: 0.261
local terms energy: -52.709884
where:
bonds (distance) C4'-P energy: -7.975
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -6.029
tors. eta vs tors. theta energy: -12.582
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: 1, replica: 2
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -219.286632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.286632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.389882 (E_RNA)
where:
Base-Base interactions energy: -154.568
where: short stacking energy: -68.988
Base-Backbone interact. energy: -0.041
local terms energy: -64.780576
where:
bonds (distance) C4'-P energy: -8.650
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -18.445
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: 8
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -220.308636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.308636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.400525 (E_RNA)
where:
Base-Base interactions energy: -163.394
where: short stacking energy: -66.949
Base-Backbone interact. energy: -0.010
local terms energy: -56.996214
where:
bonds (distance) C4'-P energy: -11.763
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -12.572
flat angles P-C4'-P energy: -3.984
tors. eta vs tors. theta energy: -16.204
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: 7
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -210.904354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.904354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.923258 (E_RNA)
where:
Base-Base interactions energy: -153.906
where: short stacking energy: -66.335
Base-Backbone interact. energy: -0.107
local terms energy: -56.910263
where:
bonds (distance) C4'-P energy: -7.590
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -12.464
flat angles P-C4'-P energy: -7.935
tors. eta vs tors. theta energy: -16.598
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: 1
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -212.544346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.544346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.617816 (E_RNA)
where:
Base-Base interactions energy: -147.713
where: short stacking energy: -61.293
Base-Backbone interact. energy: -0.098
local terms energy: -64.807370
where:
bonds (distance) C4'-P energy: -10.924
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -14.198
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: 5, replica: 10
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -205.264504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.264504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.285429 (E_RNA)
where:
Base-Base interactions energy: -144.432
where: short stacking energy: -57.421
Base-Backbone interact. energy: -0.014
local terms energy: -60.839579
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -5.464
tors. eta vs tors. theta energy: -12.305
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: 6
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -197.956281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.956281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.059297 (E_RNA)
where:
Base-Base interactions energy: -141.325
where: short stacking energy: -57.103
Base-Backbone interact. energy: -0.360
local terms energy: -56.374845
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -7.884
tors. eta vs tors. theta energy: -11.732
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: 72
Temperature: 1.200000
Total energy: -175.826837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.826837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.613957 (E_RNA)
where:
Base-Base interactions energy: -120.634
where: short stacking energy: -48.200
Base-Backbone interact. energy: -1.033
local terms energy: -60.946175
where:
bonds (distance) C4'-P energy: -10.198
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -13.647
Dist. restrs. and SS energy: 6.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -205.312648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.312648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.382578 (E_RNA)
where:
Base-Base interactions energy: -141.041
where: short stacking energy: -55.977
Base-Backbone interact. energy: -0.168
local terms energy: -64.173685
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: -14.601
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: 9, replica: 3
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -191.779485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.779485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.094165 (E_RNA)
where:
Base-Base interactions energy: -133.373
where: short stacking energy: -52.591
Base-Backbone interact. energy: -0.004
local terms energy: -58.717057
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -11.525
flat angles C4'-P-C4' energy: -11.032
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -17.121
Dist. restrs. and SS energy: 0.315 (S_DIST_RNA)
chem. 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: -175.182604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.182604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.507675 (E_RNA)
where:
Base-Base interactions energy: -125.081
where: short stacking energy: -49.985
Base-Backbone interact. energy: -0.033
local terms energy: -57.393179
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -12.818
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -2.986
tors. eta vs tors. theta energy: -14.327
Dist. restrs. and SS energy: 7.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -233.438219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.438219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.493294 (E_RNA)
where:
Base-Base interactions energy: -167.260
where: short stacking energy: -65.921
Base-Backbone interact. energy: -0.004
local terms energy: -66.229787
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -12.141
flat angles C4'-P-C4' energy: -15.223
flat angles P-C4'-P energy: -5.693
tors. eta vs tors. theta energy: -18.503
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: 7
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -224.081429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.081429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.081429 (E_RNA)
where:
Base-Base interactions energy: -158.592
where: short stacking energy: -57.105
Base-Backbone interact. energy: -0.168
local terms energy: -65.321396
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -5.235
tors. eta vs tors. theta energy: -18.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -221.907698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.907698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.913450 (E_RNA)
where:
Base-Base interactions energy: -160.103
where: short stacking energy: -62.432
Base-Backbone interact. energy: -0.001
local terms energy: -61.809702
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -12.172
flat angles C4'-P-C4' energy: -12.254
flat angles P-C4'-P energy: -8.119
tors. eta vs tors. theta energy: -16.391
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: 73
Temperature: 1.050000
Total energy: -212.397249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.397249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.403861 (E_RNA)
where:
Base-Base interactions energy: -145.187
where: short stacking energy: -61.645
Base-Backbone interact. energy: -0.122
local terms energy: -67.094841
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -10.457
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -18.349
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: 1
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -206.615610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.615610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.746068 (E_RNA)
where:
Base-Base interactions energy: -141.312
where: short stacking energy: -60.219
Base-Backbone interact. energy: -0.005
local terms energy: -65.428829
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -12.043
flat angles C4'-P-C4' energy: -12.190
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -16.334
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: 6, replica: 6
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -205.752350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.752350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.774503 (E_RNA)
where:
Base-Base interactions energy: -142.060
where: short stacking energy: -53.495
Base-Backbone interact. energy: -0.002
local terms energy: -63.712512
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -10.681
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -15.374
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: 7, replica: 5
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -191.476793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.476793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.762281 (E_RNA)
where:
Base-Base interactions energy: -138.727
where: short stacking energy: -57.723
Base-Backbone interact. energy: 2.360
local terms energy: -62.394703
where:
bonds (distance) C4'-P energy: -10.765
bonds (distance) P-C4' energy: -10.094
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -15.863
Dist. restrs. and SS energy: 7.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -197.059705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.059705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.123869 (E_RNA)
where:
Base-Base interactions energy: -140.857
where: short stacking energy: -52.708
Base-Backbone interact. energy: -0.000
local terms energy: -56.266588
where:
bonds (distance) C4'-P energy: -9.612
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -9.504
flat angles P-C4'-P energy: -6.502
tors. eta vs tors. theta energy: -18.064
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: 9, replica: 9
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -194.099820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.099820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.456473 (E_RNA)
where:
Base-Base interactions energy: -134.165
where: short stacking energy: -55.617
Base-Backbone interact. energy: -0.045
local terms energy: -60.246321
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -14.274
flat angles C4'-P-C4' energy: -13.313
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -11.526
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: 10, replica: 4
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -173.401781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.401781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.836040 (E_RNA)
where:
Base-Base interactions energy: -129.163
where: short stacking energy: -50.083
Base-Backbone interact. energy: 0.275
local terms energy: -53.948038
where:
bonds (distance) C4'-P energy: -9.821
bonds (distance) P-C4' energy: -11.129
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -9.772
Dist. restrs. and SS energy: 9.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -238.787790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.787790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.845830 (E_RNA)
where:
Base-Base interactions energy: -175.091
where: short stacking energy: -72.816
Base-Backbone interact. energy: -0.008
local terms energy: -63.747264
where:
bonds (distance) C4'-P energy: -11.604
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -5.991
tors. eta vs tors. theta energy: -15.098
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: 7
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -237.008092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.008092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.008092 (E_RNA)
where:
Base-Base interactions energy: -174.803
where: short stacking energy: -71.287
Base-Backbone interact. energy: 0.151
local terms energy: -62.356208
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -0.326
tors. eta vs tors. theta energy: -18.466
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: 10
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -221.803666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.803666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.805257 (E_RNA)
where:
Base-Base interactions energy: -153.503
where: short stacking energy: -64.370
Base-Backbone interact. energy: -0.001
local terms energy: -68.301206
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -11.449
tors. eta vs tors. theta energy: -17.704
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: 8
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -215.523654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.523654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.592095 (E_RNA)
where:
Base-Base interactions energy: -157.826
where: short stacking energy: -69.217
Base-Backbone interact. energy: -0.305
local terms energy: -57.460977
where:
bonds (distance) C4'-P energy: -7.991
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -14.862
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: 6
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -209.603042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.603042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.755728 (E_RNA)
where:
Base-Base interactions energy: -143.387
where: short stacking energy: -62.422
Base-Backbone interact. energy: -0.005
local terms energy: -66.363763
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: -17.732
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: 6, replica: 1
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -205.237912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.237912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.237912 (E_RNA)
where:
Base-Base interactions energy: -144.013
where: short stacking energy: -59.564
Base-Backbone interact. energy: -0.001
local terms energy: -61.224004
where:
bonds (distance) C4'-P energy: -8.891
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -16.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -193.756222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.756222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.189516 (E_RNA)
where:
Base-Base interactions energy: -144.790
where: short stacking energy: -62.439
Base-Backbone interact. energy: -0.027
local terms energy: -57.373144
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -0.584
tors. eta vs tors. theta energy: -17.689
Dist. restrs. and SS energy: 8.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -194.738636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.738636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.837222 (E_RNA)
where:
Base-Base interactions energy: -134.387
where: short stacking energy: -49.350
Base-Backbone interact. energy: -0.047
local terms energy: -60.403535
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -8.203
tors. eta vs tors. theta energy: -12.130
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: 9
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -198.275538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.275538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.293692 (E_RNA)
where:
Base-Base interactions energy: -140.665
where: short stacking energy: -55.741
Base-Backbone interact. energy: -0.071
local terms energy: -57.557415
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -10.741
flat angles C4'-P-C4' energy: -10.529
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -15.910
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: 4
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -167.968313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.968313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.819581 (E_RNA)
where:
Base-Base interactions energy: -120.888
where: short stacking energy: -45.958
Base-Backbone interact. energy: -0.034
local terms energy: -55.897961
where:
bonds (distance) C4'-P energy: -10.298
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -10.228
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -14.774
Dist. restrs. and SS energy: 8.851 (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: 2
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -234.155433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.155433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.228542 (E_RNA)
where:
Base-Base interactions energy: -173.662
where: short stacking energy: -69.051
Base-Backbone interact. energy: -0.010
local terms energy: -60.557100
where:
bonds (distance) C4'-P energy: -10.205
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -4.463
tors. eta vs tors. theta energy: -16.279
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: 75
Temperature: 0.950000
Total energy: -219.411532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.411532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.557521 (E_RNA)
where:
Base-Base interactions energy: -147.575
where: short stacking energy: -64.588
Base-Backbone interact. energy: -0.065
local terms energy: -71.917066
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: -16.979
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: 3, replica: 7
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -230.257994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.257994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.503066 (E_RNA)
where:
Base-Base interactions energy: -170.872
where: short stacking energy: -70.264
Base-Backbone interact. energy: -0.027
local terms energy: -59.603899
where:
bonds (distance) C4'-P energy: -10.909
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -3.871
tors. eta vs tors. theta energy: -18.754
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: 4, replica: 6
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -220.502085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.502085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.551111 (E_RNA)
where:
Base-Base interactions energy: -159.149
where: short stacking energy: -61.626
Base-Backbone interact. energy: -0.041
local terms energy: -61.361109
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -9.665
flat angles P-C4'-P energy: -5.042
tors. eta vs tors. theta energy: -16.769
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: 8
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -216.692850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.692850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.732255 (E_RNA)
where:
Base-Base interactions energy: -149.238
where: short stacking energy: -62.670
Base-Backbone interact. energy: -0.010
local terms energy: -67.485116
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -14.679
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: 75
Temperature: 1.150000
Total energy: -201.889694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.889694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.931456 (E_RNA)
where:
Base-Base interactions energy: -149.931
where: short stacking energy: -65.283
Base-Backbone interact. energy: -0.173
local terms energy: -51.827942
where:
bonds (distance) C4'-P energy: -9.114
bonds (distance) P-C4' energy: -8.139
flat angles C4'-P-C4' energy: -13.045
flat angles P-C4'-P energy: -6.327
tors. eta vs tors. theta energy: -15.203
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: 5
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -190.492667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.492667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.923010 (E_RNA)
where:
Base-Base interactions energy: -139.258
where: short stacking energy: -59.449
Base-Backbone interact. energy: -0.050
local terms energy: -59.615234
where:
bonds (distance) C4'-P energy: -9.089
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: -15.109
Dist. restrs. and SS energy: 8.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -203.499382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.499382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.674280 (E_RNA)
where:
Base-Base interactions energy: -141.083
where: short stacking energy: -54.552
Base-Backbone interact. energy: -0.084
local terms energy: -62.507175
where:
bonds (distance) C4'-P energy: -11.183
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -12.436
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -14.123
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: 3
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -194.728547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.728547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.904661 (E_RNA)
where:
Base-Base interactions energy: -133.726
where: short stacking energy: -60.602
Base-Backbone interact. energy: -0.218
local terms energy: -60.960420
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -11.855
flat angles C4'-P-C4' energy: -12.258
flat angles P-C4'-P energy: -7.339
tors. eta vs tors. theta energy: -17.811
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: 4
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -161.002741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.002741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.247703 (E_RNA)
where:
Base-Base interactions energy: -119.947
where: short stacking energy: -49.615
Base-Backbone interact. energy: -0.202
local terms energy: -51.099343
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -11.837
flat angles C4'-P-C4' energy: -8.005
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -8.659
Dist. restrs. and SS energy: 10.245 (S_DIST_RNA)
chem. 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: -218.756988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.756988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.756988 (E_RNA)
where:
Base-Base interactions energy: -151.807
where: short stacking energy: -64.263
Base-Backbone interact. energy: -0.043
local terms energy: -66.907471
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -12.408
tors. eta vs tors. theta energy: -17.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -231.703802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.703802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.940885 (E_RNA)
where:
Base-Base interactions energy: -170.881
where: short stacking energy: -70.497
Base-Backbone interact. energy: -0.010
local terms energy: -61.050522
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -6.150
tors. eta vs tors. theta energy: -14.320
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: 3, replica: 6
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -224.493265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.493265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.532446 (E_RNA)
where:
Base-Base interactions energy: -161.733
where: short stacking energy: -62.735
Base-Backbone interact. energy: -0.690
local terms energy: -62.110308
where:
bonds (distance) C4'-P energy: -9.879
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -6.204
tors. eta vs tors. theta energy: -16.592
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: 7
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -210.081252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.081252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.115523 (E_RNA)
where:
Base-Base interactions energy: -149.783
where: short stacking energy: -61.179
Base-Backbone interact. energy: -0.044
local terms energy: -60.288894
where:
bonds (distance) C4'-P energy: -9.424
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -12.127
flat angles P-C4'-P energy: -9.125
tors. eta vs tors. theta energy: -14.376
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: 76
Temperature: 1.100000
Total energy: -220.105307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.105307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.496048 (E_RNA)
where:
Base-Base interactions energy: -161.074
where: short stacking energy: -64.878
Base-Backbone interact. energy: 0.077
local terms energy: -59.499610
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -10.439
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -15.168
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: 6, replica: 8
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -203.257912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.257912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.476506 (E_RNA)
where:
Base-Base interactions energy: -145.400
where: short stacking energy: -57.619
Base-Backbone interact. energy: -0.381
local terms energy: -57.695568
where:
bonds (distance) C4'-P energy: -9.549
bonds (distance) P-C4' energy: -10.849
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -7.234
tors. eta vs tors. theta energy: -16.265
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: 9
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -210.913674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.913674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.967181 (E_RNA)
where:
Base-Base interactions energy: -145.011
where: short stacking energy: -58.261
Base-Backbone interact. energy: -0.360
local terms energy: -65.596023
where:
bonds (distance) C4'-P energy: -10.321
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -11.754
tors. eta vs tors. theta energy: -15.039
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: 5
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -183.224417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.224417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.487994 (E_RNA)
where:
Base-Base interactions energy: -133.090
where: short stacking energy: -52.219
Base-Backbone interact. energy: -0.002
local terms energy: -57.395675
where:
bonds (distance) C4'-P energy: -9.274
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -11.459
flat angles P-C4'-P energy: -6.856
tors. eta vs tors. theta energy: -15.185
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: 9, replica: 4
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -187.098301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.098301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.316124 (E_RNA)
where:
Base-Base interactions energy: -133.138
where: short stacking energy: -52.185
Base-Backbone interact. energy: -0.002
local terms energy: -61.176204
where:
bonds (distance) C4'-P energy: -10.984
bonds (distance) P-C4' energy: -12.379
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -15.619
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: 10, replica: 3
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -192.247391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.247391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.316050 (E_RNA)
where:
Base-Base interactions energy: -139.467
where: short stacking energy: -52.910
Base-Backbone interact. energy: -0.096
local terms energy: -52.753606
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -11.637
flat angles C4'-P-C4' energy: -10.509
flat angles P-C4'-P energy: -6.549
tors. eta vs tors. theta energy: -10.755
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: 1, replica: 10
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -234.550554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.550554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.636053 (E_RNA)
where:
Base-Base interactions energy: -169.893
where: short stacking energy: -68.222
Base-Backbone interact. energy: -0.016
local terms energy: -64.726856
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -12.113
flat angles P-C4'-P energy: -5.314
tors. eta vs tors. theta energy: -18.076
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: 2
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -230.078152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.078152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.089415 (E_RNA)
where:
Base-Base interactions energy: -166.110
where: short stacking energy: -63.683
Base-Backbone interact. energy: -0.178
local terms energy: -63.800683
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -8.161
tors. eta vs tors. theta energy: -16.274
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: 6
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -228.084558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.084558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.325292 (E_RNA)
where:
Base-Base interactions energy: -164.071
where: short stacking energy: -59.228
Base-Backbone interact. energy: -0.005
local terms energy: -64.248860
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -7.490
tors. eta vs tors. theta energy: -16.294
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: 4, replica: 7
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -211.200699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.200699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.203811 (E_RNA)
where:
Base-Base interactions energy: -154.588
where: short stacking energy: -61.820
Base-Backbone interact. energy: 0.028
local terms energy: -56.643699
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -5.664
tors. eta vs tors. theta energy: -12.212
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: 1
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -205.169221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.169221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.169221 (E_RNA)
where:
Base-Base interactions energy: -143.544
where: short stacking energy: -52.053
Base-Backbone interact. energy: -0.187
local terms energy: -61.438826
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -12.304
flat angles P-C4'-P energy: -7.336
tors. eta vs tors. theta energy: -13.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -201.587590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.587590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.587590 (E_RNA)
where:
Base-Base interactions energy: -153.499
where: short stacking energy: -57.532
Base-Backbone interact. energy: -0.003
local terms energy: -48.086252
where:
bonds (distance) C4'-P energy: -11.837
bonds (distance) P-C4' energy: -11.102
flat angles C4'-P-C4' energy: -10.623
flat angles P-C4'-P energy: -2.653
tors. eta vs tors. theta energy: -11.871
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -206.701255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.701255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.701255 (E_RNA)
where:
Base-Base interactions energy: -142.345
where: short stacking energy: -49.290
Base-Backbone interact. energy: -0.045
local terms energy: -64.311314
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -11.634
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -14.962
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -180.229050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.229050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.934146 (E_RNA)
where:
Base-Base interactions energy: -129.954
where: short stacking energy: -57.926
Base-Backbone interact. energy: -0.019
local terms energy: -58.960215
where:
bonds (distance) C4'-P energy: -9.516
bonds (distance) P-C4' energy: -15.192
flat angles C4'-P-C4' energy: -13.030
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: -13.226
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: 9, replica: 5
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -179.276572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.276572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.970019 (E_RNA)
where:
Base-Base interactions energy: -132.905
where: short stacking energy: -53.039
Base-Backbone interact. energy: -0.506
local terms energy: -53.559165
where:
bonds (distance) C4'-P energy: -10.655
bonds (distance) P-C4' energy: -10.654
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -10.399
Dist. restrs. and SS energy: 7.693 (S_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: -196.789739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.789739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.789739 (E_RNA)
where:
Base-Base interactions energy: -138.079
where: short stacking energy: -53.568
Base-Backbone interact. energy: -0.008
local terms energy: -58.702957
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -9.418
flat angles C4'-P-C4' energy: -12.645
flat angles P-C4'-P energy: -8.768
tors. eta vs tors. theta energy: -14.969
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -242.637050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.637050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.761355 (E_RNA)
where:
Base-Base interactions energy: -172.790
where: short stacking energy: -74.779
Base-Backbone interact. energy: -0.271
local terms energy: -69.699813
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -7.128
tors. eta vs tors. theta energy: -18.088
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: 2, replica: 10
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -227.553576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.553576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.618537 (E_RNA)
where:
Base-Base interactions energy: -165.152
where: short stacking energy: -66.055
Base-Backbone interact. energy: -0.262
local terms energy: -62.203789
where:
bonds (distance) C4'-P energy: -11.232
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -12.212
flat angles P-C4'-P energy: -3.344
tors. eta vs tors. theta energy: -19.883
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: 7
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -210.669847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.669847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.669847 (E_RNA)
where:
Base-Base interactions energy: -145.347
where: short stacking energy: -62.724
Base-Backbone interact. energy: 0.702
local terms energy: -66.024812
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -15.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -232.650623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.650623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.662823 (E_RNA)
where:
Base-Base interactions energy: -164.199
where: short stacking energy: -63.587
Base-Backbone interact. energy: -0.078
local terms energy: -68.385645
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -6.824
tors. eta vs tors. theta energy: -17.755
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: 78
Temperature: 1.100000
Total energy: -208.960297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.960297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.984142 (E_RNA)
where:
Base-Base interactions energy: -150.226
where: short stacking energy: -59.033
Base-Backbone interact. energy: -0.000
local terms energy: -58.757214
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -4.321
tors. eta vs tors. theta energy: -16.323
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: 78
Temperature: 1.150000
Total energy: -203.979639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.979639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.017716 (E_RNA)
where:
Base-Base interactions energy: -154.231
where: short stacking energy: -62.286
Base-Backbone interact. energy: -0.485
local terms energy: -49.300962
where:
bonds (distance) C4'-P energy: -9.449
bonds (distance) P-C4' energy: -12.428
flat angles C4'-P-C4' energy: -9.207
flat angles P-C4'-P energy: -6.735
tors. eta vs tors. theta energy: -11.482
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: 4
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -182.787725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.787725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.778881 (E_RNA)
where:
Base-Base interactions energy: -139.388
where: short stacking energy: -61.754
Base-Backbone interact. energy: -0.016
local terms energy: -54.374824
where:
bonds (distance) C4'-P energy: -10.692
bonds (distance) P-C4' energy: -9.477
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -6.771
tors. eta vs tors. theta energy: -14.697
Dist. restrs. and SS energy: 10.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -195.212639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.212639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.451054 (E_RNA)
where:
Base-Base interactions energy: -137.030
where: short stacking energy: -59.083
Base-Backbone interact. energy: -0.002
local terms energy: -58.419097
where:
bonds (distance) C4'-P energy: -8.738
bonds (distance) P-C4' energy: -10.741
flat angles C4'-P-C4' energy: -11.546
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -17.830
Dist. restrs. and SS energy: 0.238 (S_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: -193.968508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.968508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.141286 (E_RNA)
where:
Base-Base interactions energy: -132.229
where: short stacking energy: -53.082
Base-Backbone interact. energy: -0.080
local terms energy: -61.832525
where:
bonds (distance) C4'-P energy: -9.672
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -13.105
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -16.149
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: 10, replica: 5
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -189.186485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.186485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.783987 (E_RNA)
where:
Base-Base interactions energy: -140.221
where: short stacking energy: -60.975
Base-Backbone interact. energy: -0.005
local terms energy: -56.557605
where:
bonds (distance) C4'-P energy: -10.041
bonds (distance) P-C4' energy: -6.990
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: -16.863
Dist. restrs. and SS energy: 7.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -235.447076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.447076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.476852 (E_RNA)
where:
Base-Base interactions energy: -173.370
where: short stacking energy: -70.267
Base-Backbone interact. energy: -0.451
local terms energy: -61.655718
where:
bonds (distance) C4'-P energy: -9.581
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -7.210
tors. eta vs tors. theta energy: -18.430
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: 79
Temperature: 0.950000
Total energy: -220.080135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.080135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.080970 (E_RNA)
where:
Base-Base interactions energy: -153.322
where: short stacking energy: -67.565
Base-Backbone interact. energy: -0.186
local terms energy: -66.573069
where:
bonds (distance) C4'-P energy: -9.800
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -17.733
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: 79
Temperature: 1.000000
Total energy: -210.211514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.211514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.267822 (E_RNA)
where:
Base-Base interactions energy: -149.707
where: short stacking energy: -62.411
Base-Backbone interact. energy: -0.085
local terms energy: -60.475947
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -13.287
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -6.158
tors. eta vs tors. theta energy: -14.351
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: 6
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -226.934499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.934499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.997227 (E_RNA)
where:
Base-Base interactions energy: -164.438
where: short stacking energy: -66.378
Base-Backbone interact. energy: 0.184
local terms energy: -62.743602
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: -16.472
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: 9
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -212.155998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.155998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.185296 (E_RNA)
where:
Base-Base interactions energy: -154.565
where: short stacking energy: -61.871
Base-Backbone interact. energy: -0.002
local terms energy: -57.618333
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -11.147
flat angles C4'-P-C4' energy: -10.369
flat angles P-C4'-P energy: -5.328
tors. eta vs tors. theta energy: -16.477
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: 4
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -194.243667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.243667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.424605 (E_RNA)
where:
Base-Base interactions energy: -142.264
where: short stacking energy: -59.250
Base-Backbone interact. energy: -0.000
local terms energy: -59.159953
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -10.560
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -16.161
Dist. restrs. and SS energy: 7.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -200.711019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.711019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.715084 (E_RNA)
where:
Base-Base interactions energy: -137.344
where: short stacking energy: -53.530
Base-Backbone interact. energy: -0.002
local terms energy: -63.368696
where:
bonds (distance) C4'-P energy: -11.529
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -7.929
tors. eta vs tors. theta energy: -16.165
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: 8, replica: 3
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -197.581751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.581751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.581751 (E_RNA)
where:
Base-Base interactions energy: -140.406
where: short stacking energy: -54.244
Base-Backbone interact. energy: -0.070
local terms energy: -57.105959
where:
bonds (distance) C4'-P energy: -9.113
bonds (distance) P-C4' energy: -12.668
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -11.884
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -197.377077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.377077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.377077 (E_RNA)
where:
Base-Base interactions energy: -140.092
where: short stacking energy: -49.142
Base-Backbone interact. energy: -0.536
local terms energy: -56.749480
where:
bonds (distance) C4'-P energy: -8.704
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -12.022
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -13.289
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -181.703677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.703677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.731615 (E_RNA)
where:
Base-Base interactions energy: -135.863
where: short stacking energy: -55.328
Base-Backbone interact. energy: -0.204
local terms energy: -53.664954
where:
bonds (distance) C4'-P energy: -10.704
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -11.555
flat angles P-C4'-P energy: -6.428
tors. eta vs tors. theta energy: -11.642
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: 1, replica: 10
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -219.894713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.894713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.904352 (E_RNA)
where:
Base-Base interactions energy: -155.053
where: short stacking energy: -65.720
Base-Backbone interact. energy: -0.002
local terms energy: -64.849684
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -6.011
tors. eta vs tors. theta energy: -18.654
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: 2
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -237.883063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.883063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.913764 (E_RNA)
where:
Base-Base interactions energy: -172.265
where: short stacking energy: -73.002
Base-Backbone interact. energy: -0.473
local terms energy: -65.175702
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -8.111
tors. eta vs tors. theta energy: -17.100
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: 6
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -224.757208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.757208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.838660 (E_RNA)
where:
Base-Base interactions energy: -168.015
where: short stacking energy: -66.351
Base-Backbone interact. energy: -0.500
local terms energy: -56.324081
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -10.656
flat angles P-C4'-P energy: -1.966
tors. eta vs tors. theta energy: -16.759
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: 7
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -213.829396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.829396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.869143 (E_RNA)
where:
Base-Base interactions energy: -152.848
where: short stacking energy: -63.509
Base-Backbone interact. energy: -0.000
local terms energy: -61.020905
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -9.873
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -17.917
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: 9
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -209.236672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.236672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.365302 (E_RNA)
where:
Base-Base interactions energy: -148.098
where: short stacking energy: -64.109
Base-Backbone interact. energy: 1.647
local terms energy: -62.914551
where:
bonds (distance) C4'-P energy: -6.965
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -18.490
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: 6, replica: 4
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -199.619948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.619948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.147526 (E_RNA)
where:
Base-Base interactions energy: -148.498
where: short stacking energy: -65.422
Base-Backbone interact. energy: -0.510
local terms energy: -59.139280
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -12.520
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -2.024
tors. eta vs tors. theta energy: -16.846
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: 7, replica: 3
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -204.073119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.073119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.182194 (E_RNA)
where:
Base-Base interactions energy: -140.536
where: short stacking energy: -56.084
Base-Backbone interact. energy: -0.004
local terms energy: -63.642346
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -12.298
flat angles P-C4'-P energy: -6.911
tors. eta vs tors. theta energy: -17.199
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: 1
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -197.695015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.695015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.695015 (E_RNA)
where:
Base-Base interactions energy: -141.790
where: short stacking energy: -52.560
Base-Backbone interact. energy: -0.036
local terms energy: -55.869112
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -7.772
flat angles C4'-P-C4' energy: -11.783
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -11.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -176.281408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.281408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.734267 (E_RNA)
where:
Base-Base interactions energy: -123.586
where: short stacking energy: -43.546
Base-Backbone interact. energy: -0.745
local terms energy: -58.403077
where:
bonds (distance) C4'-P energy: -11.738
bonds (distance) P-C4' energy: -12.005
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: -14.366
Dist. restrs. and SS energy: 6.453 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -196.545720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.545720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.617961 (E_RNA)
where:
Base-Base interactions energy: -135.867
where: short stacking energy: -60.718
Base-Backbone interact. energy: -0.006
local terms energy: -60.745071
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -12.753
flat angles C4'-P-C4' energy: -12.481
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -15.052
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: 1, replica: 10
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -231.008657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.008657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.062142 (E_RNA)
where:
Base-Base interactions energy: -167.587
where: short stacking energy: -69.140
Base-Backbone interact. energy: -0.274
local terms energy: -63.201110
where:
bonds (distance) C4'-P energy: -9.346
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: -15.853
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: 6
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -233.249118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.249118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.319005 (E_RNA)
where:
Base-Base interactions energy: -168.907
where: short stacking energy: -71.986
Base-Backbone interact. energy: -0.279
local terms energy: -64.132303
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -11.904
flat angles P-C4'-P energy: -4.350
tors. eta vs tors. theta energy: -18.125
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: 81
Temperature: 1.000000
Total energy: -234.040600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.040600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.063441 (E_RNA)
where:
Base-Base interactions energy: -166.992
where: short stacking energy: -68.049
Base-Backbone interact. energy: -0.007
local terms energy: -67.064534
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -15.531
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -8.781
tors. eta vs tors. theta energy: -15.959
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: 81
Temperature: 1.050000
Total energy: -208.810832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.810832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.866572 (E_RNA)
where:
Base-Base interactions energy: -144.865
where: short stacking energy: -60.489
Base-Backbone interact. energy: -0.005
local terms energy: -63.996898
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -13.134
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -17.670
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: 81
Temperature: 1.100000
Total energy: -204.537921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.537921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.785681 (E_RNA)
where:
Base-Base interactions energy: -142.260
where: short stacking energy: -60.590
Base-Backbone interact. energy: 0.882
local terms energy: -63.407169
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -16.358
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: 6, replica: 3
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -204.625079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.625079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.699455 (E_RNA)
where:
Base-Base interactions energy: -150.768
where: short stacking energy: -60.495
Base-Backbone interact. energy: -0.271
local terms energy: -53.660612
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -11.726
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -2.909
tors. eta vs tors. theta energy: -12.718
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: 81
Temperature: 1.200000
Total energy: -193.044045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.044045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.214838 (E_RNA)
where:
Base-Base interactions energy: -133.682
where: short stacking energy: -62.003
Base-Backbone interact. energy: -0.011
local terms energy: -66.521952
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -15.199
Dist. restrs. and SS energy: 7.171 (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: 5
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -179.648051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.648051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.758309 (E_RNA)
where:
Base-Base interactions energy: -132.754
where: short stacking energy: -57.054
Base-Backbone interact. energy: -0.001
local terms energy: -54.003639
where:
bonds (distance) C4'-P energy: -7.729
bonds (distance) P-C4' energy: -9.495
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -7.015
tors. eta vs tors. theta energy: -16.477
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: 9, replica: 1
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -194.135906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.135906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.267877 (E_RNA)
where:
Base-Base interactions energy: -144.525
where: short stacking energy: -55.317
Base-Backbone interact. energy: -0.313
local terms energy: -49.430109
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -6.622
flat angles C4'-P-C4' energy: -11.820
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -10.867
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: 10, replica: 8
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -194.829625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.829625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.930416 (E_RNA)
where:
Base-Base interactions energy: -136.844
where: short stacking energy: -57.092
Base-Backbone interact. energy: -0.316
local terms energy: -57.769936
where:
bonds (distance) C4'-P energy: -10.601
bonds (distance) P-C4' energy: -9.766
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -13.851
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: 1, replica: 6
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -239.511845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.511845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.548944 (E_RNA)
where:
Base-Base interactions energy: -177.806
where: short stacking energy: -70.571
Base-Backbone interact. energy: -0.366
local terms energy: -61.377116
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -10.941
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -3.631
tors. eta vs tors. theta energy: -18.161
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: 82
Temperature: 0.950000
Total energy: -214.714022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.714022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.793498 (E_RNA)
where:
Base-Base interactions energy: -153.142
where: short stacking energy: -64.638
Base-Backbone interact. energy: -0.141
local terms energy: -61.510544
where:
bonds (distance) C4'-P energy: -8.439
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -12.474
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -14.635
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: 9
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -211.507778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.507778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.552755 (E_RNA)
where:
Base-Base interactions energy: -148.551
where: short stacking energy: -58.605
Base-Backbone interact. energy: -0.236
local terms energy: -62.766335
where:
bonds (distance) C4'-P energy: -10.358
bonds (distance) P-C4' energy: -11.066
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -17.901
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: 82
Temperature: 1.050000
Total energy: -213.999202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.999202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.019788 (E_RNA)
where:
Base-Base interactions energy: -151.468
where: short stacking energy: -54.871
Base-Backbone interact. energy: -0.001
local terms energy: -62.551006
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -15.780
flat angles P-C4'-P energy: -1.116
tors. eta vs tors. theta energy: -16.498
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: 3
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -201.260430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.260430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.277418 (E_RNA)
where:
Base-Base interactions energy: -146.109
where: short stacking energy: -57.143
Base-Backbone interact. energy: -0.223
local terms energy: -54.945825
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -4.955
tors. eta vs tors. theta energy: -11.942
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: 82
Temperature: 1.150000
Total energy: -211.229327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.229327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.296488 (E_RNA)
where:
Base-Base interactions energy: -148.496
where: short stacking energy: -58.067
Base-Backbone interact. energy: -0.097
local terms energy: -62.703620
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -14.098
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: 82
Temperature: 1.200000
Total energy: -185.319631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.319631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.877908 (E_RNA)
where:
Base-Base interactions energy: -131.504
where: short stacking energy: -55.515
Base-Backbone interact. energy: -1.032
local terms energy: -59.342134
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -11.155
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -7.468
tors. eta vs tors. theta energy: -16.997
Dist. restrs. and SS energy: 6.558 (S_DIST_RNA)
chem. 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: -192.276531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.276531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.961371 (E_RNA)
where:
Base-Base interactions energy: -147.757
where: short stacking energy: -57.412
Base-Backbone interact. energy: -0.794
local terms energy: -51.410985
where:
bonds (distance) C4'-P energy: -9.759
bonds (distance) P-C4' energy: -7.188
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -5.937
tors. eta vs tors. theta energy: -16.387
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: 9, replica: 8
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -198.059928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.059928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.059928 (E_RNA)
where:
Base-Base interactions energy: -133.115
where: short stacking energy: -49.098
Base-Backbone interact. energy: -0.093
local terms energy: -64.852064
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -14.447
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -193.803784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.803784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.812908 (E_RNA)
where:
Base-Base interactions energy: -138.103
where: short stacking energy: -53.757
Base-Backbone interact. energy: -0.372
local terms energy: -55.338443
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -11.833
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -7.139
tors. eta vs tors. theta energy: -11.727
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: 1, replica: 6
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -237.951525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.951525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.963863 (E_RNA)
where:
Base-Base interactions energy: -177.111
where: short stacking energy: -73.672
Base-Backbone interact. energy: 0.163
local terms energy: -61.015552
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -1.974
tors. eta vs tors. theta energy: -19.206
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: 83
Temperature: 0.950000
Total energy: -227.872905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.872905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.872905 (E_RNA)
where:
Base-Base interactions energy: -168.275
where: short stacking energy: -67.828
Base-Backbone interact. energy: -0.093
local terms energy: -59.504420
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -1.108
tors. eta vs tors. theta energy: -15.938
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -220.466960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.466960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.466960 (E_RNA)
where:
Base-Base interactions energy: -156.991
where: short stacking energy: -60.981
Base-Backbone interact. energy: -0.046
local terms energy: -63.430635
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -10.918
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -7.550
tors. eta vs tors. theta energy: -17.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -204.586604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.586604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.639362 (E_RNA)
where:
Base-Base interactions energy: -145.346
where: short stacking energy: -60.448
Base-Backbone interact. energy: -0.303
local terms energy: -58.989773
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -12.370
flat angles P-C4'-P energy: -6.996
tors. eta vs tors. theta energy: -14.687
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: 3
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -201.380527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.380527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.380527 (E_RNA)
where:
Base-Base interactions energy: -140.724
where: short stacking energy: -54.064
Base-Backbone interact. energy: -0.132
local terms energy: -60.524618
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -14.535
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -9.711
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -206.023769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.023769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.254824 (E_RNA)
where:
Base-Base interactions energy: -146.084
where: short stacking energy: -60.923
Base-Backbone interact. energy: -0.362
local terms energy: -59.808956
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -9.835
flat angles C4'-P-C4' energy: -11.953
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -15.647
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: 4
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -186.242261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.242261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.509264 (E_RNA)
where:
Base-Base interactions energy: -139.100
where: short stacking energy: -56.999
Base-Backbone interact. energy: -0.634
local terms energy: -54.775459
where:
bonds (distance) C4'-P energy: -10.199
bonds (distance) P-C4' energy: -10.306
flat angles C4'-P-C4' energy: -10.390
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -14.091
Dist. restrs. and SS energy: 8.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -196.949651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.949651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.949651 (E_RNA)
where:
Base-Base interactions energy: -142.479
where: short stacking energy: -50.551
Base-Backbone interact. energy: -0.073
local terms energy: -54.398362
where:
bonds (distance) C4'-P energy: -10.881
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -4.864
tors. eta vs tors. theta energy: -10.422
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -180.937692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.937692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.432695 (E_RNA)
where:
Base-Base interactions energy: -127.341
where: short stacking energy: -51.319
Base-Backbone interact. energy: -0.641
local terms energy: -61.451493
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -12.962
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -6.920
tors. eta vs tors. theta energy: -14.113
Dist. restrs. and SS energy: 8.495 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -193.041371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.041371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.278432 (E_RNA)
where:
Base-Base interactions energy: -138.089
where: short stacking energy: -56.883
Base-Backbone interact. energy: -0.000
local terms energy: -55.189519
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -11.042
flat angles C4'-P-C4' energy: -11.737
flat angles P-C4'-P energy: -7.502
tors. eta vs tors. theta energy: -11.282
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: 1, replica: 6
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -236.767716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.767716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.872234 (E_RNA)
where:
Base-Base interactions energy: -171.651
where: short stacking energy: -72.125
Base-Backbone interact. energy: -0.116
local terms energy: -65.105566
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -7.985
tors. eta vs tors. theta energy: -17.452
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: 2, replica: 9
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -224.841703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.841703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.841703 (E_RNA)
where:
Base-Base interactions energy: -160.322
where: short stacking energy: -64.723
Base-Backbone interact. energy: -0.126
local terms energy: -64.394047
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -13.514
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -16.972
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -223.511675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.511675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.541028 (E_RNA)
where:
Base-Base interactions energy: -164.192
where: short stacking energy: -64.200
Base-Backbone interact. energy: -0.016
local terms energy: -59.332767
where:
bonds (distance) C4'-P energy: -11.832
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -4.351
tors. eta vs tors. theta energy: -12.950
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: 84
Temperature: 1.050000
Total energy: -211.537598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.537598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.559052 (E_RNA)
where:
Base-Base interactions energy: -149.336
where: short stacking energy: -62.372
Base-Backbone interact. energy: -0.158
local terms energy: -62.064558
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -10.420
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -7.061
tors. eta vs tors. theta energy: -17.318
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: 7
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -210.252568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.252568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.261138 (E_RNA)
where:
Base-Base interactions energy: -155.415
where: short stacking energy: -62.097
Base-Backbone interact. energy: -0.352
local terms energy: -54.494101
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -13.581
flat angles C4'-P-C4' energy: -5.109
flat angles P-C4'-P energy: -6.706
tors. eta vs tors. theta energy: -16.701
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: 3
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -204.878374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.878374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.878374 (E_RNA)
where:
Base-Base interactions energy: -142.538
where: short stacking energy: -54.677
Base-Backbone interact. energy: -0.568
local terms energy: -61.773083
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -13.202
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -14.039
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -196.924850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.924850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.941829 (E_RNA)
where:
Base-Base interactions energy: -139.969
where: short stacking energy: -50.786
Base-Backbone interact. energy: -0.050
local terms energy: -56.923352
where:
bonds (distance) C4'-P energy: -11.249
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -6.314
tors. eta vs tors. theta energy: -10.977
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: 4
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -172.900415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.900415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.805356 (E_RNA)
where:
Base-Base interactions energy: -125.250
where: short stacking energy: -53.979
Base-Backbone interact. energy: -0.038
local terms energy: -57.517615
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -11.847
flat angles P-C4'-P energy: -7.539
tors. eta vs tors. theta energy: -12.373
Dist. restrs. and SS energy: 9.905 (S_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: 84
Temperature: 1.300000
Total energy: -197.190271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.190271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.418491 (E_RNA)
where:
Base-Base interactions energy: -136.422
where: short stacking energy: -59.558
Base-Backbone interact. energy: -0.451
local terms energy: -60.545627
where:
bonds (distance) C4'-P energy: -8.082
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -17.237
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: 10, replica: 5
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -176.357881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.357881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.433955 (E_RNA)
where:
Base-Base interactions energy: -127.008
where: short stacking energy: -56.638
Base-Backbone interact. energy: -0.622
local terms energy: -55.803884
where:
bonds (distance) C4'-P energy: -9.382
bonds (distance) P-C4' energy: -11.704
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -12.331
Dist. restrs. and SS energy: 7.076 (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: 6
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -222.724864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.724864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.772143 (E_RNA)
where:
Base-Base interactions energy: -153.130
where: short stacking energy: -64.729
Base-Backbone interact. energy: -0.003
local terms energy: -69.639240
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -15.192
flat angles P-C4'-P energy: -11.819
tors. eta vs tors. theta energy: -15.411
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: 2
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -221.357611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.357611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.432851 (E_RNA)
where:
Base-Base interactions energy: -153.990
where: short stacking energy: -65.084
Base-Backbone interact. energy: -0.587
local terms energy: -66.855770
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -13.482
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: 9
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -214.468129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.468129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.630396 (E_RNA)
where:
Base-Base interactions energy: -156.371
where: short stacking energy: -55.674
Base-Backbone interact. energy: -0.029
local terms energy: -58.230585
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -4.207
tors. eta vs tors. theta energy: -14.922
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: 7
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -226.641676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.641676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.696913 (E_RNA)
where:
Base-Base interactions energy: -162.878
where: short stacking energy: -61.024
Base-Backbone interact. energy: -0.012
local terms energy: -63.807704
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -4.814
tors. eta vs tors. theta energy: -17.562
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: 10
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -206.594917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.594917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.632169 (E_RNA)
where:
Base-Base interactions energy: -151.488
where: short stacking energy: -59.673
Base-Backbone interact. energy: -0.013
local terms energy: -55.131381
where:
bonds (distance) C4'-P energy: -2.593
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: -17.812
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: 85
Temperature: 1.150000
Total energy: -201.244180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.244180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.499125 (E_RNA)
where:
Base-Base interactions energy: -136.406
where: short stacking energy: -55.505
Base-Backbone interact. energy: -0.176
local terms energy: -64.917292
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -13.512
Dist. restrs. and SS energy: 0.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -203.867235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.867235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.265374 (E_RNA)
where:
Base-Base interactions energy: -145.866
where: short stacking energy: -50.274
Base-Backbone interact. energy: -0.102
local terms energy: -58.297398
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -12.705
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -7.581
tors. eta vs tors. theta energy: -12.479
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: 8, replica: 1
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -202.406425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.406425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.457936 (E_RNA)
where:
Base-Base interactions energy: -139.896
where: short stacking energy: -56.722
Base-Backbone interact. energy: -0.005
local terms energy: -62.556812
where:
bonds (distance) C4'-P energy: -9.468
bonds (distance) P-C4' energy: -11.859
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -18.102
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: 85
Temperature: 1.300000
Total energy: -188.168786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.168786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.246199 (E_RNA)
where:
Base-Base interactions energy: -132.613
where: short stacking energy: -51.619
Base-Backbone interact. energy: -0.262
local terms energy: -62.371370
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -12.279
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -14.849
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: 5
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -172.693769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.693769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.074210 (E_RNA)
where:
Base-Base interactions energy: -129.895
where: short stacking energy: -52.520
Base-Backbone interact. energy: -0.007
local terms energy: -53.172260
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -12.855
flat angles C4'-P-C4' energy: -9.872
flat angles P-C4'-P energy: -5.681
tors. eta vs tors. theta energy: -12.840
Dist. restrs. and SS energy: 10.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -219.600205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.600205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.600205 (E_RNA)
where:
Base-Base interactions energy: -151.566
where: short stacking energy: -59.438
Base-Backbone interact. energy: -0.366
local terms energy: -67.668201
where:
bonds (distance) C4'-P energy: -11.125
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: -17.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -224.233942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.233942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.351896 (E_RNA)
where:
Base-Base interactions energy: -160.280
where: short stacking energy: -65.157
Base-Backbone interact. energy: -0.211
local terms energy: -63.860924
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -13.371
flat angles P-C4'-P energy: -5.706
tors. eta vs tors. theta energy: -17.192
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: 86
Temperature: 1.000000
Total energy: -228.317896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.317896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.317896 (E_RNA)
where:
Base-Base interactions energy: -162.829
where: short stacking energy: -62.423
Base-Backbone interact. energy: -0.194
local terms energy: -65.294910
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -6.761
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: 9
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -216.356632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.356632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.356632 (E_RNA)
where:
Base-Base interactions energy: -151.912
where: short stacking energy: -63.425
Base-Backbone interact. energy: -0.001
local terms energy: -64.444319
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -4.563
tors. eta vs tors. theta energy: -17.515
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -209.783795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.783795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.859121 (E_RNA)
where:
Base-Base interactions energy: -144.947
where: short stacking energy: -61.476
Base-Backbone interact. energy: -0.630
local terms energy: -64.281600
where:
bonds (distance) C4'-P energy: -10.489
bonds (distance) P-C4' energy: -10.714
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -12.798
tors. eta vs tors. theta energy: -15.980
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: 86
Temperature: 1.150000
Total energy: -204.552477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.552477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.659825 (E_RNA)
where:
Base-Base interactions energy: -145.274
where: short stacking energy: -60.577
Base-Backbone interact. energy: -0.009
local terms energy: -59.376017
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -9.188
flat angles C4'-P-C4' energy: -12.784
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -14.270
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: 7, replica: 1
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -196.916325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.916325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.918284 (E_RNA)
where:
Base-Base interactions energy: -139.457
where: short stacking energy: -56.412
Base-Backbone interact. energy: -0.000
local terms energy: -57.460829
where:
bonds (distance) C4'-P energy: -7.639
bonds (distance) P-C4' energy: -12.932
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -5.945
tors. eta vs tors. theta energy: -17.001
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: 86
Temperature: 1.250000
Total energy: -199.990583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.990583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.060585 (E_RNA)
where:
Base-Base interactions energy: -146.492
where: short stacking energy: -58.189
Base-Backbone interact. energy: -0.019
local terms energy: -53.549400
where:
bonds (distance) C4'-P energy: -10.841
bonds (distance) P-C4' energy: -12.934
flat angles C4'-P-C4' energy: -11.967
flat angles P-C4'-P energy: -0.739
tors. eta vs tors. theta energy: -17.069
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: 9, replica: 5
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -172.836676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.836676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.075391 (E_RNA)
where:
Base-Base interactions energy: -127.054
where: short stacking energy: -54.519
Base-Backbone interact. energy: 0.385
local terms energy: -52.406340
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -6.354
flat angles C4'-P-C4' energy: -11.823
flat angles P-C4'-P energy: -5.615
tors. eta vs tors. theta energy: -15.308
Dist. restrs. and SS energy: 6.239 (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: 4
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -172.939494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.939494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.146441 (E_RNA)
where:
Base-Base interactions energy: -131.707
where: short stacking energy: -51.701
Base-Backbone interact. energy: -0.063
local terms energy: -47.376224
where:
bonds (distance) C4'-P energy: -7.212
bonds (distance) P-C4' energy: -10.675
flat angles C4'-P-C4' energy: -10.819
flat angles P-C4'-P energy: -7.174
tors. eta vs tors. theta energy: -11.495
Dist. restrs. and SS energy: 6.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -215.873425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.873425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.873425 (E_RNA)
where:
Base-Base interactions energy: -150.228
where: short stacking energy: -59.638
Base-Backbone interact. energy: -0.013
local terms energy: -65.632202
where:
bonds (distance) C4'-P energy: -9.354
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -16.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -232.185633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.185633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.185633 (E_RNA)
where:
Base-Base interactions energy: -171.065
where: short stacking energy: -68.373
Base-Backbone interact. energy: -0.003
local terms energy: -61.117381
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -13.334
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -2.074
tors. eta vs tors. theta energy: -15.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -208.987921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.987921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.072885 (E_RNA)
where:
Base-Base interactions energy: -148.629
where: short stacking energy: -53.108
Base-Backbone interact. energy: -0.550
local terms energy: -59.893378
where:
bonds (distance) C4'-P energy: -12.669
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -8.080
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -14.757
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: 9
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -214.837866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.837866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.982570 (E_RNA)
where:
Base-Base interactions energy: -143.840
where: short stacking energy: -59.298
Base-Backbone interact. energy: -0.002
local terms energy: -71.140165
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: -16.553
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: 3
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -212.603778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.603778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.603778 (E_RNA)
where:
Base-Base interactions energy: -158.413
where: short stacking energy: -61.343
Base-Backbone interact. energy: -0.010
local terms energy: -54.181584
where:
bonds (distance) C4'-P energy: -8.965
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -10.662
flat angles P-C4'-P energy: -7.289
tors. eta vs tors. theta energy: -13.419
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -199.749411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.749411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.782245 (E_RNA)
where:
Base-Base interactions energy: -137.657
where: short stacking energy: -56.222
Base-Backbone interact. energy: -0.106
local terms energy: -62.019130
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -11.998
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -6.462
tors. eta vs tors. theta energy: -15.863
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: 7, replica: 10
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -206.650030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.650030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.675904 (E_RNA)
where:
Base-Base interactions energy: -145.274
where: short stacking energy: -59.146
Base-Backbone interact. energy: -0.001
local terms energy: -61.400886
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -11.317
flat angles C4'-P-C4' energy: -12.368
flat angles P-C4'-P energy: -5.005
tors. eta vs tors. theta energy: -19.408
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: 8
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -202.115991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.115991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.286232 (E_RNA)
where:
Base-Base interactions energy: -142.540
where: short stacking energy: -57.187
Base-Backbone interact. energy: -0.145
local terms energy: -59.600654
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -8.103
tors. eta vs tors. theta energy: -14.658
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: 9, replica: 5
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -177.513096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.513096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.015449 (E_RNA)
where:
Base-Base interactions energy: -133.616
where: short stacking energy: -58.372
Base-Backbone interact. energy: -1.034
local terms energy: -52.365474
where:
bonds (distance) C4'-P energy: -9.569
bonds (distance) P-C4' energy: -10.240
flat angles C4'-P-C4' energy: -11.368
flat angles P-C4'-P energy: -6.724
tors. eta vs tors. theta energy: -14.465
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: 10, replica: 4
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -172.602022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.602022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.289149 (E_RNA)
where:
Base-Base interactions energy: -122.191
where: short stacking energy: -47.712
Base-Backbone interact. energy: 0.229
local terms energy: -57.326423
where:
bonds (distance) C4'-P energy: -6.687
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -12.327
tors. eta vs tors. theta energy: -11.796
Dist. restrs. and SS energy: 6.687 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -231.689604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.689604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.689604 (E_RNA)
where:
Base-Base interactions energy: -172.264
where: short stacking energy: -68.276
Base-Backbone interact. energy: -0.017
local terms energy: -59.408432
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -12.919
flat angles C4'-P-C4' energy: -13.072
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -12.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -227.135527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.135527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.193550 (E_RNA)
where:
Base-Base interactions energy: -165.136
where: short stacking energy: -65.188
Base-Backbone interact. energy: -0.586
local terms energy: -61.471263
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -5.122
tors. eta vs tors. theta energy: -18.744
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: 9
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -213.490863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.490863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.702759 (E_RNA)
where:
Base-Base interactions energy: -153.221
where: short stacking energy: -59.974
Base-Backbone interact. energy: 1.275
local terms energy: -61.755960
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -9.965
flat angles C4'-P-C4' energy: -13.553
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: -16.463
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: 4, replica: 2
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -212.240929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.240929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.240929 (E_RNA)
where:
Base-Base interactions energy: -155.062
where: short stacking energy: -58.394
Base-Backbone interact. energy: -0.140
local terms energy: -57.038968
where:
bonds (distance) C4'-P energy: -12.013
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -10.675
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -213.275206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.275206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.276640 (E_RNA)
where:
Base-Base interactions energy: -148.877
where: short stacking energy: -58.592
Base-Backbone interact. energy: 2.027
local terms energy: -66.426379
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -12.140
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -16.818
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: 6, replica: 1
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -202.833913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.833913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.851240 (E_RNA)
where:
Base-Base interactions energy: -144.281
where: short stacking energy: -55.252
Base-Backbone interact. energy: -0.093
local terms energy: -58.477520
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -7.767
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -15.660
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: 88
Temperature: 1.200000
Total energy: -200.092873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.092873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.149751 (E_RNA)
where:
Base-Base interactions energy: -142.148
where: short stacking energy: -56.006
Base-Backbone interact. energy: -0.043
local terms energy: -57.958354
where:
bonds (distance) C4'-P energy: -8.993
bonds (distance) P-C4' energy: -12.205
flat angles C4'-P-C4' energy: -10.821
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -15.074
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: 88
Temperature: 1.250000
Total energy: -200.426555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.426555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.496250 (E_RNA)
where:
Base-Base interactions energy: -144.588
where: short stacking energy: -59.065
Base-Backbone interact. energy: 0.852
local terms energy: -56.759937
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -12.325
flat angles P-C4'-P energy: -4.119
tors. eta vs tors. theta energy: -14.326
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: 9, replica: 5
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -177.596496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.596496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.435261 (E_RNA)
where:
Base-Base interactions energy: -140.430
where: short stacking energy: -59.378
Base-Backbone interact. energy: -0.951
local terms energy: -43.054874
where:
bonds (distance) C4'-P energy: -10.376
bonds (distance) P-C4' energy: -4.544
flat angles C4'-P-C4' energy: -9.112
flat angles P-C4'-P energy: -3.761
tors. eta vs tors. theta energy: -15.261
Dist. restrs. and SS energy: 6.839 (S_DIST_RNA)
chem. 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: -182.269140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.269140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.785038 (E_RNA)
where:
Base-Base interactions energy: -134.908
where: short stacking energy: -53.973
Base-Backbone interact. energy: -0.274
local terms energy: -53.603263
where:
bonds (distance) C4'-P energy: -8.865
bonds (distance) P-C4' energy: -10.669
flat angles C4'-P-C4' energy: -10.676
flat angles P-C4'-P energy: -5.711
tors. eta vs tors. theta energy: -17.682
Dist. restrs. and SS energy: 6.516 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -231.255457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.255457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.255457 (E_RNA)
where:
Base-Base interactions energy: -168.659
where: short stacking energy: -62.038
Base-Backbone interact. energy: -0.053
local terms energy: -62.543949
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -3.159
tors. eta vs tors. theta energy: -16.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -228.431741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.431741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.742076 (E_RNA)
where:
Base-Base interactions energy: -167.427
where: short stacking energy: -70.275
Base-Backbone interact. energy: 0.575
local terms energy: -61.890079
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -15.892
flat angles P-C4'-P energy: -1.108
tors. eta vs tors. theta energy: -19.219
Dist. restrs. and SS energy: 0.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -218.043977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.043977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.057137 (E_RNA)
where:
Base-Base interactions energy: -151.299
where: short stacking energy: -63.380
Base-Backbone interact. energy: -0.004
local terms energy: -66.754680
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -6.920
tors. eta vs tors. theta energy: -18.486
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: 89
Temperature: 1.050000
Total energy: -215.588532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.588532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.595180 (E_RNA)
where:
Base-Base interactions energy: -152.786
where: short stacking energy: -64.772
Base-Backbone interact. energy: 0.096
local terms energy: -62.905788
where:
bonds (distance) C4'-P energy: -7.677
bonds (distance) P-C4' energy: -11.218
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: -17.533
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: 2
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -218.996498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.996498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.996498 (E_RNA)
where:
Base-Base interactions energy: -158.950
where: short stacking energy: -66.429
Base-Backbone interact. energy: -0.018
local terms energy: -60.028548
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -12.067
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -7.938
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: 1
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -215.861446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.861446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.889964 (E_RNA)
where:
Base-Base interactions energy: -149.396
where: short stacking energy: -63.191
Base-Backbone interact. energy: -0.001
local terms energy: -66.493033
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -16.462
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: 10
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -198.651897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.651897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.784376 (E_RNA)
where:
Base-Base interactions energy: -144.555
where: short stacking energy: -61.023
Base-Backbone interact. energy: -0.075
local terms energy: -54.154859
where:
bonds (distance) C4'-P energy: -8.149
bonds (distance) P-C4' energy: -12.732
flat angles C4'-P-C4' energy: -10.271
flat angles P-C4'-P energy: -4.959
tors. eta vs tors. theta energy: -18.044
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: 8, replica: 8
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -200.762150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.762150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.918068 (E_RNA)
where:
Base-Base interactions energy: -134.064
where: short stacking energy: -58.202
Base-Backbone interact. energy: -0.001
local terms energy: -66.853863
where:
bonds (distance) C4'-P energy: -10.947
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -18.757
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: 89
Temperature: 1.300000
Total energy: -178.438635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.438635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.524309 (E_RNA)
where:
Base-Base interactions energy: -127.302
where: short stacking energy: -53.160
Base-Backbone interact. energy: -0.111
local terms energy: -59.111372
where:
bonds (distance) C4'-P energy: -10.787
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -10.066
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -13.978
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: 10, replica: 4
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -181.339293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.339293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.942507 (E_RNA)
where:
Base-Base interactions energy: -125.262
where: short stacking energy: -50.590
Base-Backbone interact. energy: -0.521
local terms energy: -62.160147
where:
bonds (distance) C4'-P energy: -8.973
bonds (distance) P-C4' energy: -12.924
flat angles C4'-P-C4' energy: -15.641
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -15.562
Dist. restrs. and SS energy: 6.603 (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: 6
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -228.499936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.499936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.616820 (E_RNA)
where:
Base-Base interactions energy: -167.035
where: short stacking energy: -69.960
Base-Backbone interact. energy: -0.006
local terms energy: -61.575571
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -11.701
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -4.570
tors. eta vs tors. theta energy: -19.048
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: 7
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -232.980742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.980742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.017249 (E_RNA)
where:
Base-Base interactions energy: -169.137
where: short stacking energy: -65.234
Base-Backbone interact. energy: -0.600
local terms energy: -63.280019
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -12.688
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -5.236
tors. eta vs tors. theta energy: -15.043
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: 9
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -215.971007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.971007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.999551 (E_RNA)
where:
Base-Base interactions energy: -147.475
where: short stacking energy: -63.657
Base-Backbone interact. energy: -0.280
local terms energy: -68.244521
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -19.110
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: 3
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -219.108341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.108341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.108341 (E_RNA)
where:
Base-Base interactions energy: -156.914
where: short stacking energy: -63.604
Base-Backbone interact. energy: -0.003
local terms energy: -62.191587
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -4.856
tors. eta vs tors. theta energy: -16.809
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -212.989555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.989555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.065659 (E_RNA)
where:
Base-Base interactions energy: -148.281
where: short stacking energy: -57.148
Base-Backbone interact. energy: -0.958
local terms energy: -63.827344
where:
bonds (distance) C4'-P energy: -13.774
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -11.562
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -15.266
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: 1
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -207.271603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.271603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.343678 (E_RNA)
where:
Base-Base interactions energy: -145.857
where: short stacking energy: -64.721
Base-Backbone interact. energy: -0.609
local terms energy: -60.877881
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -12.568
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -5.936
tors. eta vs tors. theta energy: -16.229
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: 10
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -208.711363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.711363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.746820 (E_RNA)
where:
Base-Base interactions energy: -146.610
where: short stacking energy: -59.915
Base-Backbone interact. energy: -0.007
local terms energy: -62.129527
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -10.042
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -16.385
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: 8
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -202.358287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.358287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.484046 (E_RNA)
where:
Base-Base interactions energy: -152.428
where: short stacking energy: -57.584
Base-Backbone interact. energy: -0.086
local terms energy: -49.970762
where:
bonds (distance) C4'-P energy: -10.692
bonds (distance) P-C4' energy: -12.016
flat angles C4'-P-C4' energy: -8.846
flat angles P-C4'-P energy: -5.689
tors. eta vs tors. theta energy: -12.727
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: 90
Temperature: 1.300000
Total energy: -188.077305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.077305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.965686 (E_RNA)
where:
Base-Base interactions energy: -132.616
where: short stacking energy: -56.526
Base-Backbone interact. energy: -0.006
local terms energy: -62.344154
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -8.963
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -18.212
Dist. restrs. and SS energy: 6.888 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -179.123945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.123945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.116470 (E_RNA)
where:
Base-Base interactions energy: -126.460
where: short stacking energy: -50.230
Base-Backbone interact. energy: -0.814
local terms energy: -59.841838
where:
bonds (distance) C4'-P energy: -12.772
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -12.696
flat angles P-C4'-P energy: -6.506
tors. eta vs tors. theta energy: -13.369
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: 1, replica: 6
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -222.899872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.899872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.899872 (E_RNA)
where:
Base-Base interactions energy: -157.765
where: short stacking energy: -59.690
Base-Backbone interact. energy: -0.100
local terms energy: -65.035080
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -4.811
tors. eta vs tors. theta energy: -17.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -234.070653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.070653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.171198 (E_RNA)
where:
Base-Base interactions energy: -173.343
where: short stacking energy: -70.182
Base-Backbone interact. energy: -0.745
local terms energy: -60.083479
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -8.618
flat angles C4'-P-C4' energy: -15.418
flat angles P-C4'-P energy: -5.700
tors. eta vs tors. theta energy: -17.205
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: 9
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -218.553736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.553736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.627688 (E_RNA)
where:
Base-Base interactions energy: -160.797
where: short stacking energy: -61.969
Base-Backbone interact. energy: -0.005
local terms energy: -57.825710
where:
bonds (distance) C4'-P energy: -11.552
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -9.996
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -14.061
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: 3
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -218.206784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.206784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.401477 (E_RNA)
where:
Base-Base interactions energy: -152.181
where: short stacking energy: -61.719
Base-Backbone interact. energy: -0.630
local terms energy: -65.590173
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -16.592
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: 5, replica: 2
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -209.899989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.899989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.915937 (E_RNA)
where:
Base-Base interactions energy: -142.523
where: short stacking energy: -61.474
Base-Backbone interact. energy: -0.242
local terms energy: -67.151233
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -15.901
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: 10
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -206.108474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.108474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.165093 (E_RNA)
where:
Base-Base interactions energy: -141.606
where: short stacking energy: -55.086
Base-Backbone interact. energy: -0.018
local terms energy: -64.541247
where:
bonds (distance) C4'-P energy: -11.014
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -11.515
tors. eta vs tors. theta energy: -15.015
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: 7, replica: 1
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -200.190570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.190570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.406430 (E_RNA)
where:
Base-Base interactions energy: -133.109
where: short stacking energy: -60.986
Base-Backbone interact. energy: -0.242
local terms energy: -67.055928
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: -17.242
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: 8, replica: 4
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -187.492289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.492289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.645116 (E_RNA)
where:
Base-Base interactions energy: -135.555
where: short stacking energy: -52.565
Base-Backbone interact. energy: -0.061
local terms energy: -59.029655
where:
bonds (distance) C4'-P energy: -10.721
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -6.657
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -17.094
Dist. restrs. and SS energy: 7.153 (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: 8
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -194.280573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.280573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.445284 (E_RNA)
where:
Base-Base interactions energy: -140.831
where: short stacking energy: -56.732
Base-Backbone interact. energy: -0.001
local terms energy: -53.612694
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -8.618
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -6.275
tors. eta vs tors. theta energy: -13.371
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: 10, replica: 5
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -168.960246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.960246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.414804 (E_RNA)
where:
Base-Base interactions energy: -126.335
where: short stacking energy: -50.607
Base-Backbone interact. energy: -0.996
local terms energy: -47.083767
where:
bonds (distance) C4'-P energy: -7.512
bonds (distance) P-C4' energy: -8.661
flat angles C4'-P-C4' energy: -8.165
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -12.216
Dist. restrs. and SS energy: 5.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -232.932256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.932256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.028916 (E_RNA)
where:
Base-Base interactions energy: -170.844
where: short stacking energy: -67.154
Base-Backbone interact. energy: 0.191
local terms energy: -62.376638
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -12.327
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -3.946
tors. eta vs tors. theta energy: -16.976
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: 6
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -221.483217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.483217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.566243 (E_RNA)
where:
Base-Base interactions energy: -157.530
where: short stacking energy: -67.723
Base-Backbone interact. energy: 0.647
local terms energy: -64.683995
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -12.079
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -17.544
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: 9
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -213.517691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.517691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.775552 (E_RNA)
where:
Base-Base interactions energy: -142.335
where: short stacking energy: -56.987
Base-Backbone interact. energy: -0.075
local terms energy: -71.365922
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -16.036
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: 4, replica: 3
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -207.229719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.229719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.308393 (E_RNA)
where:
Base-Base interactions energy: -146.458
where: short stacking energy: -60.598
Base-Backbone interact. energy: -0.094
local terms energy: -60.756821
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -10.221
flat angles C4'-P-C4' energy: -11.929
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -14.417
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: 10
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -210.570848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.570848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.570848 (E_RNA)
where:
Base-Base interactions energy: -157.920
where: short stacking energy: -61.072
Base-Backbone interact. energy: -0.004
local terms energy: -52.646196
where:
bonds (distance) C4'-P energy: -9.089
bonds (distance) P-C4' energy: -8.288
flat angles C4'-P-C4' energy: -12.215
flat angles P-C4'-P energy: -6.721
tors. eta vs tors. theta energy: -16.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -208.612526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.612526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.800337 (E_RNA)
where:
Base-Base interactions energy: -140.926
where: short stacking energy: -57.489
Base-Backbone interact. energy: -0.243
local terms energy: -67.630847
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -17.347
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: 7, replica: 1
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -208.502409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.502409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.573624 (E_RNA)
where:
Base-Base interactions energy: -149.018
where: short stacking energy: -64.679
Base-Backbone interact. energy: -0.192
local terms energy: -59.363737
where:
bonds (distance) C4'-P energy: -10.584
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -5.087
tors. eta vs tors. theta energy: -15.840
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: 8, replica: 4
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -192.390234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.390234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.148268 (E_RNA)
where:
Base-Base interactions energy: -146.369
where: short stacking energy: -66.681
Base-Backbone interact. energy: -1.128
local terms energy: -52.651609
where:
bonds (distance) C4'-P energy: -7.951
bonds (distance) P-C4' energy: -11.525
flat angles C4'-P-C4' energy: -10.383
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -15.040
Dist. restrs. and SS energy: 7.758 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -178.926919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.926919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.973309 (E_RNA)
where:
Base-Base interactions energy: -126.791
where: short stacking energy: -55.668
Base-Backbone interact. energy: -0.015
local terms energy: -60.167730
where:
bonds (distance) C4'-P energy: -8.154
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -9.543
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -16.534
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: 8
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -193.836377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.836377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.858157 (E_RNA)
where:
Base-Base interactions energy: -133.291
where: short stacking energy: -58.455
Base-Backbone interact. energy: -0.007
local terms energy: -60.559795
where:
bonds (distance) C4'-P energy: -11.193
bonds (distance) P-C4' energy: -11.620
flat angles C4'-P-C4' energy: -11.169
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -15.677
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: 1, replica: 7
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -238.273885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.273885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.285138 (E_RNA)
where:
Base-Base interactions energy: -172.205
where: short stacking energy: -69.187
Base-Backbone interact. energy: -0.790
local terms energy: -65.290575
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -6.431
tors. eta vs tors. theta energy: -18.104
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: 6
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -226.759002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.759002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.798386 (E_RNA)
where:
Base-Base interactions energy: -166.422
where: short stacking energy: -66.625
Base-Backbone interact. energy: -0.014
local terms energy: -60.362302
where:
bonds (distance) C4'-P energy: -10.654
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -6.471
tors. eta vs tors. theta energy: -14.930
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: 93
Temperature: 1.000000
Total energy: -213.322147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.322147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.353272 (E_RNA)
where:
Base-Base interactions energy: -149.350
where: short stacking energy: -59.451
Base-Backbone interact. energy: -0.192
local terms energy: -63.810770
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -13.145
flat angles P-C4'-P energy: -5.672
tors. eta vs tors. theta energy: -17.130
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: 10
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -210.634002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.634002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.948868 (E_RNA)
where:
Base-Base interactions energy: -145.520
where: short stacking energy: -62.127
Base-Backbone interact. energy: -0.095
local terms energy: -65.333778
where:
bonds (distance) C4'-P energy: -10.182
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: -17.063
Dist. restrs. and SS energy: 0.315 (S_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: 93
Temperature: 1.100000
Total energy: -205.617990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.617990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.905144 (E_RNA)
where:
Base-Base interactions energy: -140.860
where: short stacking energy: -58.797
Base-Backbone interact. energy: -0.001
local terms energy: -65.043901
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -13.614
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -17.657
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: 6, replica: 1
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -201.489018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.489018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.497649 (E_RNA)
where:
Base-Base interactions energy: -140.031
where: short stacking energy: -56.695
Base-Backbone interact. energy: -0.040
local terms energy: -61.425895
where:
bonds (distance) C4'-P energy: -15.136
bonds (distance) P-C4' energy: -12.743
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -12.655
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: 2
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -199.490017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.490017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.490017 (E_RNA)
where:
Base-Base interactions energy: -142.268
where: short stacking energy: -53.848
Base-Backbone interact. energy: -0.027
local terms energy: -57.194434
where:
bonds (distance) C4'-P energy: -10.119
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -7.330
tors. eta vs tors. theta energy: -10.054
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -179.620689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.620689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.373024 (E_RNA)
where:
Base-Base interactions energy: -126.366
where: short stacking energy: -52.208
Base-Backbone interact. energy: -0.701
local terms energy: -59.305219
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -9.527
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -12.562
Dist. restrs. and SS energy: 6.752 (S_DIST_RNA)
chem. 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: -173.115245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.115245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.898045 (E_RNA)
where:
Base-Base interactions energy: -123.032
where: short stacking energy: -47.082
Base-Backbone interact. energy: -0.101
local terms energy: -57.764479
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -11.716
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -7.371
tors. eta vs tors. theta energy: -11.569
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: 8
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -200.780419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.780419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.883921 (E_RNA)
where:
Base-Base interactions energy: -141.132
where: short stacking energy: -53.171
Base-Backbone interact. energy: -0.115
local terms energy: -59.637016
where:
bonds (distance) C4'-P energy: -9.498
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -9.004
tors. eta vs tors. theta energy: -12.231
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: 7
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -235.967853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.967853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.994581 (E_RNA)
where:
Base-Base interactions energy: -169.350
where: short stacking energy: -69.029
Base-Backbone interact. energy: -0.854
local terms energy: -65.790109
where:
bonds (distance) C4'-P energy: -10.302
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: -16.812
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: 6
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -224.878830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.878830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.062484 (E_RNA)
where:
Base-Base interactions energy: -157.022
where: short stacking energy: -61.629
Base-Backbone interact. energy: -0.037
local terms energy: -68.002902
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -6.874
tors. eta vs tors. theta energy: -16.582
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: 3, replica: 10
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -208.806742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.806742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.848002 (E_RNA)
where:
Base-Base interactions energy: -157.232
where: short stacking energy: -58.457
Base-Backbone interact. energy: -0.311
local terms energy: -51.304984
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -11.489
flat angles C4'-P-C4' energy: -12.548
flat angles P-C4'-P energy: -4.179
tors. eta vs tors. theta energy: -11.070
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: 9
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -211.136087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.136087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.142200 (E_RNA)
where:
Base-Base interactions energy: -143.794
where: short stacking energy: -56.803
Base-Backbone interact. energy: -0.330
local terms energy: -67.018807
where:
bonds (distance) C4'-P energy: -12.655
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: -18.296
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: 94
Temperature: 1.100000
Total energy: -209.549261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.549261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.568605 (E_RNA)
where:
Base-Base interactions energy: -144.505
where: short stacking energy: -58.896
Base-Backbone interact. energy: -0.080
local terms energy: -64.983756
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -11.588
flat angles C4'-P-C4' energy: -13.072
flat angles P-C4'-P energy: -10.698
tors. eta vs tors. theta energy: -17.387
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: 94
Temperature: 1.150000
Total energy: -210.512028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.512028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.512028 (E_RNA)
where:
Base-Base interactions energy: -151.029
where: short stacking energy: -59.878
Base-Backbone interact. energy: 0.957
local terms energy: -60.439957
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -10.716
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -15.472
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -179.514696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.514696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.199611 (E_RNA)
where:
Base-Base interactions energy: -128.166
where: short stacking energy: -56.244
Base-Backbone interact. energy: -0.089
local terms energy: -57.944271
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -5.597
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -14.185
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: 8, replica: 2
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -199.901148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.901148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.925309 (E_RNA)
where:
Base-Base interactions energy: -139.697
where: short stacking energy: -59.967
Base-Backbone interact. energy: -0.169
local terms energy: -60.058715
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -9.536
flat angles C4'-P-C4' energy: -11.135
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -18.436
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: 8
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -199.179018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.179018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.338861 (E_RNA)
where:
Base-Base interactions energy: -141.999
where: short stacking energy: -51.014
Base-Backbone interact. energy: -0.103
local terms energy: -57.236315
where:
bonds (distance) C4'-P energy: -6.133
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -12.640
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -14.152
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: 10, replica: 4
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -178.132581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.132581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.719503 (E_RNA)
where:
Base-Base interactions energy: -129.298
where: short stacking energy: -54.520
Base-Backbone interact. energy: -0.004
local terms energy: -54.418110
where:
bonds (distance) C4'-P energy: -10.491
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -9.737
flat angles P-C4'-P energy: -2.859
tors. eta vs tors. theta energy: -17.603
Dist. restrs. and SS energy: 5.587 (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: 7
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -242.763435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.763435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.763895 (E_RNA)
where:
Base-Base interactions energy: -173.300
where: short stacking energy: -73.680
Base-Backbone interact. energy: -0.086
local terms energy: -69.378412
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -13.509
flat angles P-C4'-P energy: -6.367
tors. eta vs tors. theta energy: -19.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -230.804686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.804686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.831388 (E_RNA)
where:
Base-Base interactions energy: -169.361
where: short stacking energy: -65.437
Base-Backbone interact. energy: 0.105
local terms energy: -61.576096
where:
bonds (distance) C4'-P energy: -8.607
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -7.092
tors. eta vs tors. theta energy: -15.698
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: 6
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -216.889353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.889353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.979874 (E_RNA)
where:
Base-Base interactions energy: -160.105
where: short stacking energy: -63.546
Base-Backbone interact. energy: -0.013
local terms energy: -56.862161
where:
bonds (distance) C4'-P energy: -8.539
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -14.009
flat angles P-C4'-P energy: -3.964
tors. eta vs tors. theta energy: -16.896
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: 1
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -216.968575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.968575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.968575 (E_RNA)
where:
Base-Base interactions energy: -158.060
where: short stacking energy: -57.663
Base-Backbone interact. energy: -0.108
local terms energy: -58.800561
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -4.139
tors. eta vs tors. theta energy: -15.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -202.897138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.897138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.015743 (E_RNA)
where:
Base-Base interactions energy: -148.094
where: short stacking energy: -62.264
Base-Backbone interact. energy: -0.004
local terms energy: -54.917998
where:
bonds (distance) C4'-P energy: -10.240
bonds (distance) P-C4' energy: -11.522
flat angles C4'-P-C4' energy: -10.982
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -13.507
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: 5
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -193.158901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.158901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.479926 (E_RNA)
where:
Base-Base interactions energy: -136.000
where: short stacking energy: -55.333
Base-Backbone interact. energy: -0.469
local terms energy: -65.011022
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -8.407
tors. eta vs tors. theta energy: -16.809
Dist. restrs. and SS energy: 8.321 (S_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: 95
Temperature: 1.200000
Total energy: -197.692155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.692155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.819471 (E_RNA)
where:
Base-Base interactions energy: -139.080
where: short stacking energy: -54.266
Base-Backbone interact. energy: -0.009
local terms energy: -58.730691
where:
bonds (distance) C4'-P energy: -11.766
bonds (distance) P-C4' energy: -11.183
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -7.587
tors. eta vs tors. theta energy: -13.162
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: 8, replica: 2
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -205.848499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.848499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.864503 (E_RNA)
where:
Base-Base interactions energy: -148.263
where: short stacking energy: -56.779
Base-Backbone interact. energy: -0.091
local terms energy: -57.510022
where:
bonds (distance) C4'-P energy: -8.286
bonds (distance) P-C4' energy: -12.141
flat angles C4'-P-C4' energy: -10.687
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: -13.655
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: 8
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -197.226851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.226851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.251118 (E_RNA)
where:
Base-Base interactions energy: -136.743
where: short stacking energy: -49.822
Base-Backbone interact. energy: -0.047
local terms energy: -60.460793
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -7.525
tors. eta vs tors. theta energy: -14.005
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: 10, replica: 4
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -171.299094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.299094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.435312 (E_RNA)
where:
Base-Base interactions energy: -118.568
where: short stacking energy: -51.997
Base-Backbone interact. energy: -0.760
local terms energy: -60.107383
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -9.888
Dist. restrs. and SS energy: 8.136 (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: 7
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -231.851775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.851775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.933187 (E_RNA)
where:
Base-Base interactions energy: -168.269
where: short stacking energy: -67.628
Base-Backbone interact. energy: -0.902
local terms energy: -62.762938
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -12.200
flat angles P-C4'-P energy: -6.087
tors. eta vs tors. theta energy: -15.570
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: 10
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -230.218131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.218131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.354256 (E_RNA)
where:
Base-Base interactions energy: -168.795
where: short stacking energy: -69.757
Base-Backbone interact. energy: -0.004
local terms energy: -61.554892
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -14.060
flat angles P-C4'-P energy: -3.630
tors. eta vs tors. theta energy: -16.767
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: 3, replica: 6
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -226.306772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.306772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.437112 (E_RNA)
where:
Base-Base interactions energy: -164.381
where: short stacking energy: -68.645
Base-Backbone interact. energy: -0.011
local terms energy: -62.045464
where:
bonds (distance) C4'-P energy: -12.036
bonds (distance) P-C4' energy: -12.042
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -5.327
tors. eta vs tors. theta energy: -18.358
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: 96
Temperature: 1.050000
Total energy: -207.779328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.779328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.854536 (E_RNA)
where:
Base-Base interactions energy: -145.555
where: short stacking energy: -59.629
Base-Backbone interact. energy: -0.043
local terms energy: -62.257149
where:
bonds (distance) C4'-P energy: -12.229
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -13.837
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: 5
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -192.844238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.844238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.952036 (E_RNA)
where:
Base-Base interactions energy: -143.343
where: short stacking energy: -57.623
Base-Backbone interact. energy: -0.298
local terms energy: -57.310763
where:
bonds (distance) C4'-P energy: -10.434
bonds (distance) P-C4' energy: -10.362
flat angles C4'-P-C4' energy: -10.745
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -15.040
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: 6, replica: 9
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -205.076509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.076509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.112401 (E_RNA)
where:
Base-Base interactions energy: -146.967
where: short stacking energy: -57.763
Base-Backbone interact. energy: -0.011
local terms energy: -58.135149
where:
bonds (distance) C4'-P energy: -8.219
bonds (distance) P-C4' energy: -13.111
flat angles C4'-P-C4' energy: -8.225
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -16.652
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: 96
Temperature: 1.200000
Total energy: -196.889548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.889548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.961602 (E_RNA)
where:
Base-Base interactions energy: -148.330
where: short stacking energy: -55.961
Base-Backbone interact. energy: -0.011
local terms energy: -48.620736
where:
bonds (distance) C4'-P energy: -9.440
bonds (distance) P-C4' energy: -8.692
flat angles C4'-P-C4' energy: -11.632
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: -8.573
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: 2
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -200.370800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.370800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.386442 (E_RNA)
where:
Base-Base interactions energy: -142.272
where: short stacking energy: -53.522
Base-Backbone interact. energy: -0.210
local terms energy: -57.904592
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -11.317
flat angles C4'-P-C4' energy: -11.699
flat angles P-C4'-P energy: -5.210
tors. eta vs tors. theta energy: -15.174
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: 8
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -187.026746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.026746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.146850 (E_RNA)
where:
Base-Base interactions energy: -130.456
where: short stacking energy: -55.314
Base-Backbone interact. energy: -0.111
local terms energy: -56.579283
where:
bonds (distance) C4'-P energy: -11.650
bonds (distance) P-C4' energy: -11.391
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -6.128
tors. eta vs tors. theta energy: -13.481
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: 4
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -169.298840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.298840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.014503 (E_RNA)
where:
Base-Base interactions energy: -124.590
where: short stacking energy: -50.828
Base-Backbone interact. energy: -1.283
local terms energy: -52.141547
where:
bonds (distance) C4'-P energy: -5.735
bonds (distance) P-C4' energy: -9.754
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -6.919
tors. eta vs tors. theta energy: -15.621
Dist. restrs. and SS energy: 8.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -238.451186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.451186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.566140 (E_RNA)
where:
Base-Base interactions energy: -172.826
where: short stacking energy: -70.568
Base-Backbone interact. energy: -0.035
local terms energy: -65.704568
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -6.186
tors. eta vs tors. theta energy: -16.901
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: 10
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -217.569079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.569079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.587940 (E_RNA)
where:
Base-Base interactions energy: -151.965
where: short stacking energy: -63.548
Base-Backbone interact. energy: -0.146
local terms energy: -65.476444
where:
bonds (distance) C4'-P energy: -13.455
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -7.607
tors. eta vs tors. theta energy: -16.549
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: 6
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -220.218557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.218557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.273258 (E_RNA)
where:
Base-Base interactions energy: -152.679
where: short stacking energy: -67.334
Base-Backbone interact. energy: -0.001
local terms energy: -67.592773
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -15.386
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: 5
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -204.244371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.244371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.587871 (E_RNA)
where:
Base-Base interactions energy: -148.107
where: short stacking energy: -63.949
Base-Backbone interact. energy: -0.064
local terms energy: -63.416320
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -11.225
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -16.130
Dist. restrs. and SS energy: 7.343 (S_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: 97
Temperature: 1.100000
Total energy: -207.662917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.662917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.780336 (E_RNA)
where:
Base-Base interactions energy: -146.780
where: short stacking energy: -60.062
Base-Backbone interact. energy: -0.414
local terms energy: -60.586436
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -11.165
flat angles C4'-P-C4' energy: -9.686
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -18.320
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: 9
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -202.721346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.721346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.794114 (E_RNA)
where:
Base-Base interactions energy: -148.779
where: short stacking energy: -59.118
Base-Backbone interact. energy: -0.081
local terms energy: -53.934126
where:
bonds (distance) C4'-P energy: -8.184
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -13.205
flat angles P-C4'-P energy: -5.005
tors. eta vs tors. theta energy: -13.241
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: 3
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -201.281861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.281861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.288742 (E_RNA)
where:
Base-Base interactions energy: -138.435
where: short stacking energy: -54.845
Base-Backbone interact. energy: -0.079
local terms energy: -62.774854
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -10.899
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: 2
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -201.511831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.511831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.525967 (E_RNA)
where:
Base-Base interactions energy: -141.461
where: short stacking energy: -63.989
Base-Backbone interact. energy: -0.090
local terms energy: -59.974716
where:
bonds (distance) C4'-P energy: -9.735
bonds (distance) P-C4' energy: -12.843
flat angles C4'-P-C4' energy: -11.636
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -16.419
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: 8
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -202.243049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.243049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.243049 (E_RNA)
where:
Base-Base interactions energy: -142.666
where: short stacking energy: -60.009
Base-Backbone interact. energy: -0.176
local terms energy: -59.400696
where:
bonds (distance) C4'-P energy: -10.840
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -9.139
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: -17.657
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -172.951591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.951591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.732999 (E_RNA)
where:
Base-Base interactions energy: -122.255
where: short stacking energy: -50.683
Base-Backbone interact. energy: -0.001
local terms energy: -57.476698
where:
bonds (distance) C4'-P energy: -9.487
bonds (distance) P-C4' energy: -11.879
flat angles C4'-P-C4' energy: -11.729
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: -15.611
Dist. restrs. and SS energy: 6.781 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -230.189938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.189938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.195519 (E_RNA)
where:
Base-Base interactions energy: -159.910
where: short stacking energy: -69.925
Base-Backbone interact. energy: -0.004
local terms energy: -70.281941
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -18.351
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: 98
Temperature: 0.950000
Total energy: -230.374668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.374668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.374668 (E_RNA)
where:
Base-Base interactions energy: -168.112
where: short stacking energy: -64.984
Base-Backbone interact. energy: -0.091
local terms energy: -62.171781
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -6.526
tors. eta vs tors. theta energy: -15.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -198.322642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.322642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.516637 (E_RNA)
where:
Base-Base interactions energy: -149.801
where: short stacking energy: -67.871
Base-Backbone interact. energy: -0.001
local terms energy: -55.714493
where:
bonds (distance) C4'-P energy: -10.269
bonds (distance) P-C4' energy: -8.416
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -15.468
Dist. restrs. and SS energy: 7.194 (S_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: 98
Temperature: 1.050000
Total energy: -208.661474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.661474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.733318 (E_RNA)
where:
Base-Base interactions energy: -150.823
where: short stacking energy: -66.928
Base-Backbone interact. energy: -0.006
local terms energy: -57.904003
where:
bonds (distance) C4'-P energy: -8.244
bonds (distance) P-C4' energy: -11.406
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: -15.378
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: 1
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -207.131388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.131388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.140900 (E_RNA)
where:
Base-Base interactions energy: -148.179
where: short stacking energy: -56.692
Base-Backbone interact. energy: -0.078
local terms energy: -58.883512
where:
bonds (distance) C4'-P energy: -10.703
bonds (distance) P-C4' energy: -12.767
flat angles C4'-P-C4' energy: -11.375
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -15.023
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: 9
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -210.518737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.518737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.580036 (E_RNA)
where:
Base-Base interactions energy: -143.950
where: short stacking energy: -60.520
Base-Backbone interact. energy: -0.005
local terms energy: -66.625194
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -14.298
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: 2
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -200.491408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.491408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.752283 (E_RNA)
where:
Base-Base interactions energy: -140.997
where: short stacking energy: -55.653
Base-Backbone interact. energy: -0.100
local terms energy: -59.655629
where:
bonds (distance) C4'-P energy: -9.494
bonds (distance) P-C4' energy: -15.348
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -7.683
tors. eta vs tors. theta energy: -13.285
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: 8, replica: 3
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -193.054974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.054974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.136498 (E_RNA)
where:
Base-Base interactions energy: -131.993
where: short stacking energy: -54.333
Base-Backbone interact. energy: 0.350
local terms energy: -61.493862
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -12.685
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -15.402
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: 9, replica: 8
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -194.609510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.609510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.650419 (E_RNA)
where:
Base-Base interactions energy: -132.881
where: short stacking energy: -51.153
Base-Backbone interact. energy: -0.003
local terms energy: -61.766223
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -11.958
flat angles C4'-P-C4' energy: -12.224
flat angles P-C4'-P energy: -11.556
tors. eta vs tors. theta energy: -13.392
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: 10, replica: 4
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -174.811109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.811109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.355692 (E_RNA)
where:
Base-Base interactions energy: -124.622
where: short stacking energy: -55.501
Base-Backbone interact. energy: -0.183
local terms energy: -58.550497
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -12.344
flat angles C4'-P-C4' energy: -11.053
flat angles P-C4'-P energy: -7.944
tors. eta vs tors. theta energy: -14.419
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: 10
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -223.291056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.291056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.342537 (E_RNA)
where:
Base-Base interactions energy: -154.820
where: short stacking energy: -64.082
Base-Backbone interact. energy: -0.001
local terms energy: -68.520863
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -15.932
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -7.638
tors. eta vs tors. theta energy: -17.369
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: 7
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -228.401922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.401922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.460927 (E_RNA)
where:
Base-Base interactions energy: -165.774
where: short stacking energy: -65.744
Base-Backbone interact. energy: -0.116
local terms energy: -62.570925
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -5.602
tors. eta vs tors. theta energy: -14.583
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: 3, replica: 5
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -208.939527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.939527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.060149 (E_RNA)
where:
Base-Base interactions energy: -155.935
where: short stacking energy: -69.166
Base-Backbone interact. energy: -0.016
local terms energy: -61.109804
where:
bonds (distance) C4'-P energy: -7.477
bonds (distance) P-C4' energy: -11.355
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -17.909
Dist. restrs. and SS energy: 8.121 (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: 1
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -208.083546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.083546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.148629 (E_RNA)
where:
Base-Base interactions energy: -141.696
where: short stacking energy: -55.684
Base-Backbone interact. energy: -0.086
local terms energy: -66.366802
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -12.347
flat angles P-C4'-P energy: -10.975
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: 5, replica: 6
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -217.898484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.898484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.929715 (E_RNA)
where:
Base-Base interactions energy: -154.859
where: short stacking energy: -59.694
Base-Backbone interact. energy: -0.652
local terms energy: -62.419089
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -4.188
tors. eta vs tors. theta energy: -15.648
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: 2
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -206.512677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.512677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.696982 (E_RNA)
where:
Base-Base interactions energy: -140.117
where: short stacking energy: -59.818
Base-Backbone interact. energy: -0.006
local terms energy: -66.573267
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -11.318
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -18.741
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: 9
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -209.647820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.647820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.765423 (E_RNA)
where:
Base-Base interactions energy: -145.056
where: short stacking energy: -61.489
Base-Backbone interact. energy: -0.601
local terms energy: -64.108103
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -11.452
flat angles C4'-P-C4' energy: -11.055
flat angles P-C4'-P energy: -12.960
tors. eta vs tors. theta energy: -15.520
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: 3
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -200.558074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.558074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.623831 (E_RNA)
where:
Base-Base interactions energy: -137.463
where: short stacking energy: -54.541
Base-Backbone interact. energy: -0.041
local terms energy: -63.120353
where:
bonds (distance) C4'-P energy: -9.929
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -16.078
flat angles P-C4'-P energy: -6.997
tors. eta vs tors. theta energy: -16.325
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: 8
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -190.134151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.134151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.136922 (E_RNA)
where:
Base-Base interactions energy: -135.764
where: short stacking energy: -48.980
Base-Backbone interact. energy: -0.554
local terms energy: -53.819188
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -5.740
tors. eta vs tors. theta energy: -7.778
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: 99
Temperature: 1.350000
Total energy: -167.409240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.409240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.787305 (E_RNA)
where:
Base-Base interactions energy: -118.653
where: short stacking energy: -46.115
Base-Backbone interact. energy: -0.175
local terms energy: -54.959317
where:
bonds (distance) C4'-P energy: -9.735
bonds (distance) P-C4' energy: -11.044
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -7.837
tors. eta vs tors. theta energy: -12.584
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: 1, replica: 7
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -227.360896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.360896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.444536 (E_RNA)
where:
Base-Base interactions energy: -161.842
where: short stacking energy: -65.326
Base-Backbone interact. energy: -0.230
local terms energy: -65.372710
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -14.517
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -5.817
tors. eta vs tors. theta energy: -15.121
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: 100
Temperature: 0.950000
Total energy: -217.852952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.852952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.884369 (E_RNA)
where:
Base-Base interactions energy: -163.408
where: short stacking energy: -64.308
Base-Backbone interact. energy: -0.056
local terms energy: -54.420800
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -6.951
flat angles P-C4'-P energy: -7.376
tors. eta vs tors. theta energy: -14.161
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: 1
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -211.122516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.122516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.222713 (E_RNA)
where:
Base-Base interactions energy: -146.540
where: short stacking energy: -58.752
Base-Backbone interact. energy: -0.104
local terms energy: -64.579309
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -11.799
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -13.631
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: 5
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -197.545120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.545120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.128630 (E_RNA)
where:
Base-Base interactions energy: -133.146
where: short stacking energy: -50.501
Base-Backbone interact. energy: -2.160
local terms energy: -68.823276
where:
bonds (distance) C4'-P energy: -11.063
bonds (distance) P-C4' energy: -14.658
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -16.858
Dist. restrs. and SS energy: 6.584 (S_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: -209.455064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.455064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.582021 (E_RNA)
where:
Base-Base interactions energy: -149.196
where: short stacking energy: -65.847
Base-Backbone interact. energy: -0.016
local terms energy: -60.369779
where:
bonds (distance) C4'-P energy: -9.622
bonds (distance) P-C4' energy: -8.899
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -17.467
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: 100
Temperature: 1.150000
Total energy: -204.619205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.619205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.638106 (E_RNA)
where:
Base-Base interactions energy: -141.640
where: short stacking energy: -63.496
Base-Backbone interact. energy: -0.038
local terms energy: -62.959542
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -4.620
tors. eta vs tors. theta energy: -16.972
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: 9
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -206.940433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.940433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.986014 (E_RNA)
where:
Base-Base interactions energy: -159.113
where: short stacking energy: -60.909
Base-Backbone interact. energy: -0.116
local terms energy: -47.757422
where:
bonds (distance) C4'-P energy: -9.611
bonds (distance) P-C4' energy: -9.554
flat angles C4'-P-C4' energy: -11.305
flat angles P-C4'-P energy: -1.047
tors. eta vs tors. theta energy: -16.241
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: 3
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -204.546089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.546089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.549612 (E_RNA)
where:
Base-Base interactions energy: -148.824
where: short stacking energy: -63.492
Base-Backbone interact. energy: -0.308
local terms energy: -55.417254
where:
bonds (distance) C4'-P energy: -7.752
bonds (distance) P-C4' energy: -8.573
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -7.884
tors. eta vs tors. theta energy: -17.769
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: 4
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -170.313108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.313108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.530937 (E_RNA)
where:
Base-Base interactions energy: -124.329
where: short stacking energy: -52.802
Base-Backbone interact. energy: 0.280
local terms energy: -55.481478
where:
bonds (distance) C4'-P energy: -11.518
bonds (distance) P-C4' energy: -12.419
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -5.503
tors. eta vs tors. theta energy: -11.416
Dist. restrs. and SS energy: 9.218 (S_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: 100
Temperature: 1.350000
Total energy: -196.960734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.960734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.079260 (E_RNA)
where:
Base-Base interactions energy: -139.698
where: short stacking energy: -56.650
Base-Backbone interact. energy: -0.284
local terms energy: -57.097241
where:
bonds (distance) C4'-P energy: -8.456
bonds (distance) P-C4' energy: -11.358
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -11.837
tors. eta vs tors. theta energy: -11.972
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: 1, replica: 7
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -237.553926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.553926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.569426 (E_RNA)
where:
Base-Base interactions energy: -174.319
where: short stacking energy: -69.708
Base-Backbone interact. energy: -0.227
local terms energy: -63.023049
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -11.821
flat angles P-C4'-P energy: -4.261
tors. eta vs tors. theta energy: -19.192
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: 10
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -218.517673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.517673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.574261 (E_RNA)
where:
Base-Base interactions energy: -151.513
where: short stacking energy: -66.379
Base-Backbone interact. energy: -0.037
local terms energy: -67.023739
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -6.352
tors. eta vs tors. theta energy: -19.044
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: 1
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -210.613532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.613532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.625098 (E_RNA)
where:
Base-Base interactions energy: -144.275
where: short stacking energy: -56.789
Base-Backbone interact. energy: -0.000
local terms energy: -66.349337
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -11.908
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -15.146
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: 6
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -215.264216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.264216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.321207 (E_RNA)
where:
Base-Base interactions energy: -155.890
where: short stacking energy: -63.477
Base-Backbone interact. energy: -0.001
local terms energy: -59.430090
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -6.332
tors. eta vs tors. theta energy: -14.605
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: 5
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -187.198859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.198859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.608103 (E_RNA)
where:
Base-Base interactions energy: -134.917
where: short stacking energy: -53.498
Base-Backbone interact. energy: -1.132
local terms energy: -59.558351
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -10.895
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -7.349
tors. eta vs tors. theta energy: -16.476
Dist. restrs. and SS energy: 8.409 (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: 101
Temperature: 1.150000
Total energy: -216.120608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.120608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.213173 (E_RNA)
where:
Base-Base interactions energy: -159.060
where: short stacking energy: -63.806
Base-Backbone interact. energy: -0.203
local terms energy: -56.950339
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -11.514
flat angles P-C4'-P energy: -5.214
tors. eta vs tors. theta energy: -13.869
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: 2
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -202.437014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.437014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.621826 (E_RNA)
where:
Base-Base interactions energy: -147.614
where: short stacking energy: -59.959
Base-Backbone interact. energy: -0.100
local terms energy: -54.907544
where:
bonds (distance) C4'-P energy: -8.991
bonds (distance) P-C4' energy: -9.267
flat angles C4'-P-C4' energy: -12.433
flat angles P-C4'-P energy: -8.363
tors. eta vs tors. theta energy: -15.853
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: 8, replica: 4
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -183.020131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.020131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.415248 (E_RNA)
where:
Base-Base interactions energy: -130.231
where: short stacking energy: -57.138
Base-Backbone interact. energy: -0.129
local terms energy: -60.054330
where:
bonds (distance) C4'-P energy: -9.717
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -8.108
tors. eta vs tors. theta energy: -13.880
Dist. restrs. and SS energy: 7.395 (S_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: 101
Temperature: 1.300000
Total energy: -193.808635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.808635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.893915 (E_RNA)
where:
Base-Base interactions energy: -129.973
where: short stacking energy: -53.203
Base-Backbone interact. energy: -0.237
local terms energy: -63.683642
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -11.339
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -16.559
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: 10, replica: 8
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -191.733467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.733467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.916177 (E_RNA)
where:
Base-Base interactions energy: -136.254
where: short stacking energy: -55.316
Base-Backbone interact. energy: -0.040
local terms energy: -55.621682
where:
bonds (distance) C4'-P energy: -10.841
bonds (distance) P-C4' energy: -10.011
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -5.642
tors. eta vs tors. theta energy: -14.577
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: 7
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -233.775385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.775385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.875305 (E_RNA)
where:
Base-Base interactions energy: -168.825
where: short stacking energy: -66.374
Base-Backbone interact. energy: -0.132
local terms energy: -64.918392
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -12.091
flat angles P-C4'-P energy: -6.424
tors. eta vs tors. theta energy: -16.458
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: 10
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -220.449528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.449528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.491750 (E_RNA)
where:
Base-Base interactions energy: -156.727
where: short stacking energy: -66.457
Base-Backbone interact. energy: -0.004
local terms energy: -63.761344
where:
bonds (distance) C4'-P energy: -12.224
bonds (distance) P-C4' energy: -13.496
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -8.094
tors. eta vs tors. theta energy: -17.627
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: 102
Temperature: 1.000000
Total energy: -216.924518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.924518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.067348 (E_RNA)
where:
Base-Base interactions energy: -154.814
where: short stacking energy: -61.521
Base-Backbone interact. energy: -0.027
local terms energy: -62.226616
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -11.506
flat angles P-C4'-P energy: -7.249
tors. eta vs tors. theta energy: -16.125
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: 6
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -209.470469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.470469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.549328 (E_RNA)
where:
Base-Base interactions energy: -143.525
where: short stacking energy: -56.532
Base-Backbone interact. energy: -0.208
local terms energy: -65.816339
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -10.502
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -7.595
tors. eta vs tors. theta energy: -19.893
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: 102
Temperature: 1.100000
Total energy: -200.454900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.454900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.488324 (E_RNA)
where:
Base-Base interactions energy: -144.307
where: short stacking energy: -56.361
Base-Backbone interact. energy: -0.035
local terms energy: -56.145585
where:
bonds (distance) C4'-P energy: -9.815
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -4.876
tors. eta vs tors. theta energy: -12.516
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: 5
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -201.778835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.778835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.699937 (E_RNA)
where:
Base-Base interactions energy: -148.256
where: short stacking energy: -64.663
Base-Backbone interact. energy: -0.681
local terms energy: -60.763321
where:
bonds (distance) C4'-P energy: -9.391
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -11.439
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -16.120
Dist. restrs. and SS energy: 7.921 (S_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: 102
Temperature: 1.200000
Total energy: -181.512108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.512108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.169121 (E_RNA)
where:
Base-Base interactions energy: -123.616
where: short stacking energy: -55.564
Base-Backbone interact. energy: -0.106
local terms energy: -64.446880
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -13.059
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -9.804
tors. eta vs tors. theta energy: -14.554
Dist. restrs. and SS energy: 6.657 (S_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: 102
Temperature: 1.250000
Total energy: -212.621379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.621379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.621379 (E_RNA)
where:
Base-Base interactions energy: -158.422
where: short stacking energy: -55.936
Base-Backbone interact. energy: -0.022
local terms energy: -54.177163
where:
bonds (distance) C4'-P energy: -10.496
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -0.016
tors. eta vs tors. theta energy: -15.351
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -191.795896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.795896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.812683 (E_RNA)
where:
Base-Base interactions energy: -136.967
where: short stacking energy: -56.727
Base-Backbone interact. energy: -0.846
local terms energy: -53.999926
where:
bonds (distance) C4'-P energy: -7.602
bonds (distance) P-C4' energy: -10.630
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -5.190
tors. eta vs tors. theta energy: -15.580
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: 3
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -185.507988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.507988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.528521 (E_RNA)
where:
Base-Base interactions energy: -128.654
where: short stacking energy: -48.470
Base-Backbone interact. energy: -0.007
local terms energy: -56.867861
where:
bonds (distance) C4'-P energy: -7.308
bonds (distance) P-C4' energy: -11.142
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -12.277
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: 7
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -239.037140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.037140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.096868 (E_RNA)
where:
Base-Base interactions energy: -168.524
where: short stacking energy: -69.109
Base-Backbone interact. energy: -0.055
local terms energy: -70.517136
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -7.106
tors. eta vs tors. theta energy: -17.292
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: 1
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -211.304933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.304933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.304933 (E_RNA)
where:
Base-Base interactions energy: -148.768
where: short stacking energy: -63.237
Base-Backbone interact. energy: 1.114
local terms energy: -63.650825
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -13.632
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: -17.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -223.045036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.045036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.063302 (E_RNA)
where:
Base-Base interactions energy: -167.174
where: short stacking energy: -69.079
Base-Backbone interact. energy: -0.606
local terms energy: -55.283544
where:
bonds (distance) C4'-P energy: -9.237
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -13.053
flat angles P-C4'-P energy: -3.069
tors. eta vs tors. theta energy: -19.009
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: 6
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -209.625039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.625039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.667294 (E_RNA)
where:
Base-Base interactions energy: -149.537
where: short stacking energy: -59.970
Base-Backbone interact. energy: 0.155
local terms energy: -60.285292
where:
bonds (distance) C4'-P energy: -8.278
bonds (distance) P-C4' energy: -13.109
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -14.529
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: 103
Temperature: 1.100000
Total energy: -208.011227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.011227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.038947 (E_RNA)
where:
Base-Base interactions energy: -145.839
where: short stacking energy: -61.094
Base-Backbone interact. energy: -0.097
local terms energy: -62.102867
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -10.307
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -14.633
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: 4
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -193.846975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.846975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.006032 (E_RNA)
where:
Base-Base interactions energy: -141.610
where: short stacking energy: -63.249
Base-Backbone interact. energy: -0.581
local terms energy: -59.815596
where:
bonds (distance) C4'-P energy: -10.509
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -6.936
tors. eta vs tors. theta energy: -14.089
Dist. restrs. and SS energy: 8.159 (S_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: 103
Temperature: 1.200000
Total energy: -193.304873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.304873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.999143 (E_RNA)
where:
Base-Base interactions energy: -139.730
where: short stacking energy: -62.305
Base-Backbone interact. energy: -0.940
local terms energy: -60.329889
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -9.535
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -16.702
Dist. restrs. and SS energy: 7.694 (S_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: 103
Temperature: 1.250000
Total energy: -205.421733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.421733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.552734 (E_RNA)
where:
Base-Base interactions energy: -156.194
where: short stacking energy: -64.442
Base-Backbone interact. energy: -0.179
local terms energy: -49.179494
where:
bonds (distance) C4'-P energy: -7.765
bonds (distance) P-C4' energy: -11.691
flat angles C4'-P-C4' energy: -11.896
flat angles P-C4'-P energy: -2.736
tors. eta vs tors. theta energy: -15.091
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: 8
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -194.641162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.641162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.700466 (E_RNA)
where:
Base-Base interactions energy: -137.027
where: short stacking energy: -53.601
Base-Backbone interact. energy: -0.161
local terms energy: -57.512253
where:
bonds (distance) C4'-P energy: -8.055
bonds (distance) P-C4' energy: -10.983
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -13.471
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: 10, replica: 3
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -192.092002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.092002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.179390 (E_RNA)
where:
Base-Base interactions energy: -138.005
where: short stacking energy: -54.281
Base-Backbone interact. energy: 0.342
local terms energy: -54.517017
where:
bonds (distance) C4'-P energy: -6.059
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -12.093
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -13.151
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: 1, replica: 7
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -237.532898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.532898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.536385 (E_RNA)
where:
Base-Base interactions energy: -177.961
where: short stacking energy: -70.980
Base-Backbone interact. energy: -0.123
local terms energy: -59.451789
where:
bonds (distance) C4'-P energy: -11.030
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -2.850
tors. eta vs tors. theta energy: -16.072
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: 1
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -213.927637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.927637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.986367 (E_RNA)
where:
Base-Base interactions energy: -146.442
where: short stacking energy: -61.700
Base-Backbone interact. energy: -0.074
local terms energy: -67.470523
where:
bonds (distance) C4'-P energy: -10.931
bonds (distance) P-C4' energy: -12.464
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -18.722
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: 3, replica: 6
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -214.492500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.492500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.538636 (E_RNA)
where:
Base-Base interactions energy: -148.826
where: short stacking energy: -61.422
Base-Backbone interact. energy: -0.105
local terms energy: -65.607673
where:
bonds (distance) C4'-P energy: -10.197
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -17.350
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: 10
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -208.461369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.461369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.538633 (E_RNA)
where:
Base-Base interactions energy: -150.134
where: short stacking energy: -58.533
Base-Backbone interact. energy: 0.730
local terms energy: -59.135461
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -11.396
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -13.140
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: 104
Temperature: 1.100000
Total energy: -206.037401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.037401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.073580 (E_RNA)
where:
Base-Base interactions energy: -146.892
where: short stacking energy: -61.694
Base-Backbone interact. energy: -0.125
local terms energy: -59.056667
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -7.271
tors. eta vs tors. theta energy: -15.960
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: 4
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -185.658654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.658654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.338020 (E_RNA)
where:
Base-Base interactions energy: -134.931
where: short stacking energy: -54.959
Base-Backbone interact. energy: -1.791
local terms energy: -56.615640
where:
bonds (distance) C4'-P energy: -5.210
bonds (distance) P-C4' energy: -11.073
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: -16.354
Dist. restrs. and SS energy: 7.679 (S_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: 104
Temperature: 1.200000
Total energy: -203.897639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.897639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.029180 (E_RNA)
where:
Base-Base interactions energy: -141.403
where: short stacking energy: -57.470
Base-Backbone interact. energy: -0.072
local terms energy: -62.554282
where:
bonds (distance) C4'-P energy: -12.392
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -15.988
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: 8, replica: 5
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -189.445694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.445694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.087999 (E_RNA)
where:
Base-Base interactions energy: -140.571
where: short stacking energy: -59.621
Base-Backbone interact. energy: -0.002
local terms energy: -54.515252
where:
bonds (distance) C4'-P energy: -7.701
bonds (distance) P-C4' energy: -12.316
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -5.769
tors. eta vs tors. theta energy: -14.567
Dist. restrs. and SS energy: 5.642 (S_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: 104
Temperature: 1.300000
Total energy: -194.595722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.595722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.620685 (E_RNA)
where:
Base-Base interactions energy: -132.120
where: short stacking energy: -49.695
Base-Backbone interact. energy: 0.629
local terms energy: -63.129251
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -15.064
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: 8
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -201.660315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.660315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.660315 (E_RNA)
where:
Base-Base interactions energy: -143.957
where: short stacking energy: -59.847
Base-Backbone interact. energy: -0.157
local terms energy: -57.546633
where:
bonds (distance) C4'-P energy: -12.085
bonds (distance) P-C4' energy: -5.911
flat angles C4'-P-C4' energy: -11.062
flat angles P-C4'-P energy: -13.065
tors. eta vs tors. theta energy: -15.422
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -235.450020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.450020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.505875 (E_RNA)
where:
Base-Base interactions energy: -172.056
where: short stacking energy: -68.673
Base-Backbone interact. energy: -0.033
local terms energy: -63.416746
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -11.395
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -7.514
tors. eta vs tors. theta energy: -18.244
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: 6
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -228.876625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.876625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.899246 (E_RNA)
where:
Base-Base interactions energy: -161.960
where: short stacking energy: -62.358
Base-Backbone interact. energy: -0.001
local terms energy: -66.938202
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -7.091
tors. eta vs tors. theta energy: -17.427
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: 105
Temperature: 1.000000
Total energy: -211.710367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.710367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.747569 (E_RNA)
where:
Base-Base interactions energy: -146.499
where: short stacking energy: -60.138
Base-Backbone interact. energy: -0.008
local terms energy: -65.240336
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -12.064
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -8.831
tors. eta vs tors. theta energy: -18.034
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: 9
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -222.222916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.222916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.286746 (E_RNA)
where:
Base-Base interactions energy: -155.700
where: short stacking energy: -65.151
Base-Backbone interact. energy: -0.744
local terms energy: -65.842591
where:
bonds (distance) C4'-P energy: -10.385
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -7.227
tors. eta vs tors. theta energy: -19.799
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: 105
Temperature: 1.100000
Total energy: -210.750969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.750969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.750969 (E_RNA)
where:
Base-Base interactions energy: -153.611
where: short stacking energy: -58.776
Base-Backbone interact. energy: -0.025
local terms energy: -57.114917
where:
bonds (distance) C4'-P energy: -10.682
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -5.486
tors. eta vs tors. theta energy: -16.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -208.603531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.603531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.739163 (E_RNA)
where:
Base-Base interactions energy: -147.601
where: short stacking energy: -63.106
Base-Backbone interact. energy: -0.131
local terms energy: -61.006668
where:
bonds (distance) C4'-P energy: -10.373
bonds (distance) P-C4' energy: -9.978
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -16.676
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: 7, replica: 4
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -189.857542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.857542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.170937 (E_RNA)
where:
Base-Base interactions energy: -138.905
where: short stacking energy: -59.481
Base-Backbone interact. energy: 0.397
local terms energy: -59.663272
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -10.430
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -14.554
Dist. restrs. and SS energy: 8.313 (S_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: 105
Temperature: 1.250000
Total energy: -208.276168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.276168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.461758 (E_RNA)
where:
Base-Base interactions energy: -153.617
where: short stacking energy: -63.328
Base-Backbone interact. energy: 1.304
local terms energy: -56.149538
where:
bonds (distance) C4'-P energy: -9.798
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -13.074
flat angles P-C4'-P energy: -3.909
tors. eta vs tors. theta energy: -15.851
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: 105
Temperature: 1.300000
Total energy: -181.842301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.842301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.388499 (E_RNA)
where:
Base-Base interactions energy: -134.731
where: short stacking energy: -58.872
Base-Backbone interact. energy: -0.733
local terms energy: -55.924519
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -11.324
flat angles C4'-P-C4' energy: -12.501
flat angles P-C4'-P energy: -7.504
tors. eta vs tors. theta energy: -14.915
Dist. restrs. and SS energy: 9.546 (S_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: 105
Temperature: 1.350000
Total energy: -193.861231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.861231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.889902 (E_RNA)
where:
Base-Base interactions energy: -144.056
where: short stacking energy: -56.365
Base-Backbone interact. energy: -0.466
local terms energy: -49.367712
where:
bonds (distance) C4'-P energy: -11.715
bonds (distance) P-C4' energy: -7.497
flat angles C4'-P-C4' energy: -11.910
flat angles P-C4'-P energy: -7.218
tors. eta vs tors. theta energy: -11.028
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: 1, replica: 7
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -234.612663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.612663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.669600 (E_RNA)
where:
Base-Base interactions energy: -174.098
where: short stacking energy: -69.962
Base-Backbone interact. energy: -0.846
local terms energy: -59.726339
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -14.672
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -3.006
tors. eta vs tors. theta energy: -17.968
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: 106
Temperature: 0.950000
Total energy: -228.258913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.258913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.577279 (E_RNA)
where:
Base-Base interactions energy: -160.120
where: short stacking energy: -69.941
Base-Backbone interact. energy: -0.003
local terms energy: -68.454167
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -17.623
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: 3, replica: 9
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -216.460268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.460268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.562317 (E_RNA)
where:
Base-Base interactions energy: -153.371
where: short stacking energy: -57.422
Base-Backbone interact. energy: -0.002
local terms energy: -63.188917
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -6.354
tors. eta vs tors. theta energy: -14.158
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: 1
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -214.374601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.374601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.391012 (E_RNA)
where:
Base-Base interactions energy: -148.199
where: short stacking energy: -61.351
Base-Backbone interact. energy: -0.001
local terms energy: -66.190737
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: -14.852
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: 2
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -205.223696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.223696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.275237 (E_RNA)
where:
Base-Base interactions energy: -146.307
where: short stacking energy: -61.061
Base-Backbone interact. energy: -0.371
local terms energy: -58.597502
where:
bonds (distance) C4'-P energy: -10.494
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -8.242
tors. eta vs tors. theta energy: -12.127
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: 6, replica: 10
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -206.848689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.848689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.933241 (E_RNA)
where:
Base-Base interactions energy: -142.173
where: short stacking energy: -60.669
Base-Backbone interact. energy: -0.157
local terms energy: -64.603834
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -10.873
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: -17.825
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: 7, replica: 3
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -204.254369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.254369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.318437 (E_RNA)
where:
Base-Base interactions energy: -142.199
where: short stacking energy: -59.300
Base-Backbone interact. energy: -0.624
local terms energy: -61.495537
where:
bonds (distance) C4'-P energy: -9.722
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -10.815
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -17.952
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: 106
Temperature: 1.250000
Total energy: -189.657645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.657645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.458335 (E_RNA)
where:
Base-Base interactions energy: -139.386
where: short stacking energy: -57.616
Base-Backbone interact. energy: 0.324
local terms energy: -58.396504
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -10.650
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -7.696
tors. eta vs tors. theta energy: -15.729
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: 9, replica: 8
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -191.104486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.104486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.171133 (E_RNA)
where:
Base-Base interactions energy: -136.001
where: short stacking energy: -56.785
Base-Backbone interact. energy: -1.256
local terms energy: -53.913821
where:
bonds (distance) C4'-P energy: -7.785
bonds (distance) P-C4' energy: -9.749
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -13.708
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: 5
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -175.783964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.783964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.118206 (E_RNA)
where:
Base-Base interactions energy: -134.390
where: short stacking energy: -60.030
Base-Backbone interact. energy: -0.003
local terms energy: -48.726005
where:
bonds (distance) C4'-P energy: -8.928
bonds (distance) P-C4' energy: -3.083
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -5.868
tors. eta vs tors. theta energy: -16.920
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: 1, replica: 7
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -233.621125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.621125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.630824 (E_RNA)
where:
Base-Base interactions energy: -170.554
where: short stacking energy: -64.711
Base-Backbone interact. energy: -0.331
local terms energy: -62.745074
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -10.777
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -6.361
tors. eta vs tors. theta energy: -17.349
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: 9
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -216.783713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.783713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.828962 (E_RNA)
where:
Base-Base interactions energy: -148.777
where: short stacking energy: -58.565
Base-Backbone interact. energy: -0.001
local terms energy: -68.050959
where:
bonds (distance) C4'-P energy: -13.124
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -16.541
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: 6
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -224.605125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.605125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.739105 (E_RNA)
where:
Base-Base interactions energy: -155.494
where: short stacking energy: -60.790
Base-Backbone interact. energy: -0.008
local terms energy: -69.237149
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -13.453
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -18.414
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: 2
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -209.730629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.730629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.743616 (E_RNA)
where:
Base-Base interactions energy: -148.800
where: short stacking energy: -60.852
Base-Backbone interact. energy: -0.106
local terms energy: -60.837680
where:
bonds (distance) C4'-P energy: -9.872
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -6.517
tors. eta vs tors. theta energy: -15.921
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: 1
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -211.001874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.001874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.001874 (E_RNA)
where:
Base-Base interactions energy: -140.959
where: short stacking energy: -58.480
Base-Backbone interact. energy: 0.429
local terms energy: -70.472670
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -12.181
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -19.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -205.188411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.188411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.196051 (E_RNA)
where:
Base-Base interactions energy: -137.306
where: short stacking energy: -51.280
Base-Backbone interact. energy: -0.152
local terms energy: -67.738151
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -12.655
tors. eta vs tors. theta energy: -13.534
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: 10
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -204.669503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.669503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.669503 (E_RNA)
where:
Base-Base interactions energy: -143.311
where: short stacking energy: -62.563
Base-Backbone interact. energy: -1.203
local terms energy: -60.155192
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -13.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -199.669047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.669047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.700866 (E_RNA)
where:
Base-Base interactions energy: -140.308
where: short stacking energy: -50.373
Base-Backbone interact. energy: -0.198
local terms energy: -59.194601
where:
bonds (distance) C4'-P energy: -7.151
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -15.796
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: 4
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -181.912343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.912343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.133248 (E_RNA)
where:
Base-Base interactions energy: -132.811
where: short stacking energy: -55.359
Base-Backbone interact. energy: -0.149
local terms energy: -56.173458
where:
bonds (distance) C4'-P energy: -9.143
bonds (distance) P-C4' energy: -9.756
flat angles C4'-P-C4' energy: -10.907
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -14.954
Dist. restrs. and SS energy: 7.221 (S_DIST_RNA)
chem. 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: -170.810947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.810947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.196514 (E_RNA)
where:
Base-Base interactions energy: -122.040
where: short stacking energy: -57.156
Base-Backbone interact. energy: -0.005
local terms energy: -57.151749
where:
bonds (distance) C4'-P energy: -10.115
bonds (distance) P-C4' energy: -11.502
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -6.504
tors. eta vs tors. theta energy: -15.440
Dist. restrs. and SS energy: 8.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -234.493022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.493022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.493022 (E_RNA)
where:
Base-Base interactions energy: -174.659
where: short stacking energy: -71.230
Base-Backbone interact. energy: -0.006
local terms energy: -59.827826
where:
bonds (distance) C4'-P energy: -11.632
bonds (distance) P-C4' energy: -11.775
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -5.931
tors. eta vs tors. theta energy: -17.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -229.398815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.398815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.398815 (E_RNA)
where:
Base-Base interactions energy: -164.650
where: short stacking energy: -64.191
Base-Backbone interact. energy: -0.223
local terms energy: -64.526279
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -6.443
tors. eta vs tors. theta energy: -16.343
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -214.810321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.810321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.823860 (E_RNA)
where:
Base-Base interactions energy: -146.062
where: short stacking energy: -59.801
Base-Backbone interact. energy: -0.157
local terms energy: -68.605060
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -11.474
flat angles C4'-P-C4' energy: -12.413
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -20.202
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: 2
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -212.791277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.791277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.811449 (E_RNA)
where:
Base-Base interactions energy: -152.139
where: short stacking energy: -61.383
Base-Backbone interact. energy: -0.240
local terms energy: -60.432223
where:
bonds (distance) C4'-P energy: -9.274
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -13.304
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: 3
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -225.007602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.007602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.007602 (E_RNA)
where:
Base-Base interactions energy: -164.048
where: short stacking energy: -66.564
Base-Backbone interact. energy: -0.745
local terms energy: -60.214764
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -5.504
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: 6, replica: 1
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -204.235350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.235350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.249067 (E_RNA)
where:
Base-Base interactions energy: -147.986
where: short stacking energy: -61.594
Base-Backbone interact. energy: -0.005
local terms energy: -56.258943
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -7.995
flat angles C4'-P-C4' energy: -9.810
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -16.337
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: 8
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -202.883513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.883513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.145059 (E_RNA)
where:
Base-Base interactions energy: -143.132
where: short stacking energy: -60.680
Base-Backbone interact. energy: -0.006
local terms energy: -60.007513
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -11.871
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -16.976
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: 8, replica: 10
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -205.117333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.117333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.134158 (E_RNA)
where:
Base-Base interactions energy: -154.603
where: short stacking energy: -55.816
Base-Backbone interact. energy: -0.010
local terms energy: -50.520703
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -7.347
flat angles C4'-P-C4' energy: -10.732
flat angles P-C4'-P energy: -6.387
tors. eta vs tors. theta energy: -13.754
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: 9, replica: 5
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -178.010755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.010755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.272857 (E_RNA)
where:
Base-Base interactions energy: -126.042
where: short stacking energy: -56.277
Base-Backbone interact. energy: -0.001
local terms energy: -61.229173
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -8.325
flat angles C4'-P-C4' energy: -12.255
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -16.671
Dist. restrs. and SS energy: 9.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -177.097973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.097973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.175948 (E_RNA)
where:
Base-Base interactions energy: -126.224
where: short stacking energy: -57.757
Base-Backbone interact. energy: -1.077
local terms energy: -56.875328
where:
bonds (distance) C4'-P energy: -9.937
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -6.178
tors. eta vs tors. theta energy: -12.587
Dist. restrs. and SS energy: 7.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -227.846986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.846986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.886502 (E_RNA)
where:
Base-Base interactions energy: -162.667
where: short stacking energy: -64.402
Base-Backbone interact. energy: -0.635
local terms energy: -64.584436
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -6.744
tors. eta vs tors. theta energy: -16.396
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: 109
Temperature: 0.950000
Total energy: -230.524079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.524079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.535821 (E_RNA)
where:
Base-Base interactions energy: -165.129
where: short stacking energy: -65.752
Base-Backbone interact. energy: -0.094
local terms energy: -65.312640
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -14.247
flat angles P-C4'-P energy: -3.344
tors. eta vs tors. theta energy: -19.254
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: 6
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -219.797592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.797592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.800716 (E_RNA)
where:
Base-Base interactions energy: -156.608
where: short stacking energy: -65.598
Base-Backbone interact. energy: 1.330
local terms energy: -64.522911
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -12.485
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -7.920
tors. eta vs tors. theta energy: -16.908
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: 109
Temperature: 1.050000
Total energy: -214.601576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.601576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.631963 (E_RNA)
where:
Base-Base interactions energy: -163.752
where: short stacking energy: -61.953
Base-Backbone interact. energy: -0.166
local terms energy: -50.714266
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -10.784
flat angles C4'-P-C4' energy: -10.401
flat angles P-C4'-P energy: -4.996
tors. eta vs tors. theta energy: -13.173
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: 2
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -217.112397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.112397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.119808 (E_RNA)
where:
Base-Base interactions energy: -157.657
where: short stacking energy: -62.353
Base-Backbone interact. energy: -0.011
local terms energy: -59.452683
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -13.051
flat angles C4'-P-C4' energy: -11.502
flat angles P-C4'-P energy: -4.608
tors. eta vs tors. theta energy: -18.698
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: 1
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -196.685284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.685284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.731178 (E_RNA)
where:
Base-Base interactions energy: -139.482
where: short stacking energy: -54.931
Base-Backbone interact. energy: 0.163
local terms energy: -57.412284
where:
bonds (distance) C4'-P energy: -10.220
bonds (distance) P-C4' energy: -10.486
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -6.827
tors. eta vs tors. theta energy: -13.876
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: 8
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -213.777257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.777257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.824641 (E_RNA)
where:
Base-Base interactions energy: -153.857
where: short stacking energy: -61.753
Base-Backbone interact. energy: -0.007
local terms energy: -59.960717
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -3.855
tors. eta vs tors. theta energy: -13.944
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: 10
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -199.850518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.850518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.850518 (E_RNA)
where:
Base-Base interactions energy: -145.675
where: short stacking energy: -55.812
Base-Backbone interact. energy: -0.352
local terms energy: -53.823181
where:
bonds (distance) C4'-P energy: -9.582
bonds (distance) P-C4' energy: -8.518
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -13.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -191.933537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.933537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.744050 (E_RNA)
where:
Base-Base interactions energy: -142.396
where: short stacking energy: -59.102
Base-Backbone interact. energy: -0.289
local terms energy: -58.059052
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -11.999
flat angles C4'-P-C4' energy: -11.638
flat angles P-C4'-P energy: -3.637
tors. eta vs tors. theta energy: -19.411
Dist. restrs. and SS energy: 8.811 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -163.816411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.816411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.256755 (E_RNA)
where:
Base-Base interactions energy: -122.270
where: short stacking energy: -50.006
Base-Backbone interact. energy: -0.269
local terms energy: -48.718009
where:
bonds (distance) C4'-P energy: -6.016
bonds (distance) P-C4' energy: -10.785
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -6.422
tors. eta vs tors. theta energy: -11.791
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: 1, replica: 7
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -237.014459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.014459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.044256 (E_RNA)
where:
Base-Base interactions energy: -175.179
where: short stacking energy: -71.642
Base-Backbone interact. energy: -0.011
local terms energy: -61.853942
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -12.410
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -4.263
tors. eta vs tors. theta energy: -18.146
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: 2, replica: 9
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -224.642760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.642760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.776324 (E_RNA)
where:
Base-Base interactions energy: -158.300
where: short stacking energy: -67.260
Base-Backbone interact. energy: -0.279
local terms energy: -66.196998
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -16.713
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: 6
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -213.919578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.919578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.982370 (E_RNA)
where:
Base-Base interactions energy: -154.650
where: short stacking energy: -64.706
Base-Backbone interact. energy: -0.012
local terms energy: -59.320567
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -0.591
tors. eta vs tors. theta energy: -18.662
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: 3
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -209.493351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.493351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.496123 (E_RNA)
where:
Base-Base interactions energy: -139.415
where: short stacking energy: -56.595
Base-Backbone interact. energy: -0.167
local terms energy: -69.914696
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -16.097
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: 1
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -209.369767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.369767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.433424 (E_RNA)
where:
Base-Base interactions energy: -153.999
where: short stacking energy: -64.581
Base-Backbone interact. energy: -0.072
local terms energy: -55.362973
where:
bonds (distance) C4'-P energy: -5.698
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -12.301
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: 2
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -205.718206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.718206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.738508 (E_RNA)
where:
Base-Base interactions energy: -143.321
where: short stacking energy: -55.838
Base-Backbone interact. energy: -0.096
local terms energy: -62.321132
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -14.261
flat angles C4'-P-C4' energy: -11.967
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -14.528
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: 10
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -203.475970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.475970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.549720 (E_RNA)
where:
Base-Base interactions energy: -148.055
where: short stacking energy: -64.996
Base-Backbone interact. energy: -0.002
local terms energy: -55.493427
where:
bonds (distance) C4'-P energy: -7.706
bonds (distance) P-C4' energy: -10.556
flat angles C4'-P-C4' energy: -9.925
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -18.809
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: 8
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -192.617650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.617650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.988798 (E_RNA)
where:
Base-Base interactions energy: -130.931
where: short stacking energy: -51.477
Base-Backbone interact. energy: -0.013
local terms energy: -62.045634
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -11.342
Dist. restrs. and SS energy: 0.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -186.150271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.150271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.743759 (E_RNA)
where:
Base-Base interactions energy: -131.166
where: short stacking energy: -52.264
Base-Backbone interact. energy: -0.007
local terms energy: -63.570577
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -15.197
Dist. restrs. and SS energy: 8.593 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -176.714516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.714516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.134107 (E_RNA)
where:
Base-Base interactions energy: -127.658
where: short stacking energy: -54.293
Base-Backbone interact. energy: -0.577
local terms energy: -56.898580
where:
bonds (distance) C4'-P energy: -8.829
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -7.002
tors. eta vs tors. theta energy: -16.123
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: 1, replica: 7
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -235.984912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.984912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.990149 (E_RNA)
where:
Base-Base interactions energy: -168.954
where: short stacking energy: -68.499
Base-Backbone interact. energy: -0.007
local terms energy: -67.029262
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -5.727
tors. eta vs tors. theta energy: -19.063
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: 9
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -222.597185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.597185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.597721 (E_RNA)
where:
Base-Base interactions energy: -158.127
where: short stacking energy: -65.863
Base-Backbone interact. energy: -0.122
local terms energy: -64.348494
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -9.820
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -17.249
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: 6
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -212.350869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.350869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.350869 (E_RNA)
where:
Base-Base interactions energy: -152.051
where: short stacking energy: -62.968
Base-Backbone interact. energy: -0.017
local terms energy: -60.282625
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -11.390
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -14.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -206.026691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.026691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.113853 (E_RNA)
where:
Base-Base interactions energy: -146.741
where: short stacking energy: -60.590
Base-Backbone interact. energy: 0.520
local terms energy: -59.892838
where:
bonds (distance) C4'-P energy: -7.132
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -11.218
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -16.976
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: 111
Temperature: 1.100000
Total energy: -213.669488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.669488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.669831 (E_RNA)
where:
Base-Base interactions energy: -158.216
where: short stacking energy: -60.699
Base-Backbone interact. energy: -0.045
local terms energy: -55.408950
where:
bonds (distance) C4'-P energy: -10.821
bonds (distance) P-C4' energy: -13.647
flat angles C4'-P-C4' energy: -10.950
flat angles P-C4'-P energy: -4.846
tors. eta vs tors. theta energy: -15.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -208.926638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.926638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.141689 (E_RNA)
where:
Base-Base interactions energy: -149.413
where: short stacking energy: -64.446
Base-Backbone interact. energy: -0.000
local terms energy: -59.728798
where:
bonds (distance) C4'-P energy: -8.105
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -12.212
flat angles P-C4'-P energy: -7.942
tors. eta vs tors. theta energy: -17.910
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: 10
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -193.115075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.115075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.117291 (E_RNA)
where:
Base-Base interactions energy: -134.688
where: short stacking energy: -50.873
Base-Backbone interact. energy: -0.204
local terms energy: -58.225734
where:
bonds (distance) C4'-P energy: -10.704
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -11.956
flat angles P-C4'-P energy: -6.783
tors. eta vs tors. theta energy: -13.459
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: 111
Temperature: 1.250000
Total energy: -202.661774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.661774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.748236 (E_RNA)
where:
Base-Base interactions energy: -143.431
where: short stacking energy: -59.207
Base-Backbone interact. energy: -0.002
local terms energy: -59.315006
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -10.602
flat angles C4'-P-C4' energy: -9.121
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: -15.447
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: 9, replica: 5
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -173.135314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.135314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.979680 (E_RNA)
where:
Base-Base interactions energy: -124.173
where: short stacking energy: -49.854
Base-Backbone interact. energy: -0.556
local terms energy: -57.250124
where:
bonds (distance) C4'-P energy: -10.442
bonds (distance) P-C4' energy: -12.378
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -10.691
tors. eta vs tors. theta energy: -10.542
Dist. restrs. and SS energy: 8.844 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -178.445421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.445421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.587000 (E_RNA)
where:
Base-Base interactions energy: -127.207
where: short stacking energy: -52.463
Base-Backbone interact. energy: 1.404
local terms energy: -59.783763
where:
bonds (distance) C4'-P energy: -11.247
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -10.981
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -10.308
Dist. restrs. and SS energy: 7.142 (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: 7
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -237.575414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.575414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.575414 (E_RNA)
where:
Base-Base interactions energy: -172.318
where: short stacking energy: -68.974
Base-Backbone interact. energy: -0.671
local terms energy: -64.586750
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -11.200
flat angles P-C4'-P energy: -5.980
tors. eta vs tors. theta energy: -17.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -212.622855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.622855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.795453 (E_RNA)
where:
Base-Base interactions energy: -148.713
where: short stacking energy: -61.462
Base-Backbone interact. energy: -0.000
local terms energy: -64.081712
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -15.820
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: 3, replica: 3
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -217.400927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.400927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.502304 (E_RNA)
where:
Base-Base interactions energy: -155.828
where: short stacking energy: -69.448
Base-Backbone interact. energy: -0.001
local terms energy: -61.673019
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -10.605
flat angles C4'-P-C4' energy: -12.935
flat angles P-C4'-P energy: -7.371
tors. eta vs tors. theta energy: -17.313
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: 6
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -207.482556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.482556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.519169 (E_RNA)
where:
Base-Base interactions energy: -145.813
where: short stacking energy: -55.016
Base-Backbone interact. energy: -0.002
local terms energy: -61.704396
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -11.030
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -7.313
tors. eta vs tors. theta energy: -16.051
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: 2
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -205.842806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.842806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.884597 (E_RNA)
where:
Base-Base interactions energy: -148.742
where: short stacking energy: -61.664
Base-Backbone interact. energy: -0.063
local terms energy: -57.079823
where:
bonds (distance) C4'-P energy: -6.912
bonds (distance) P-C4' energy: -11.839
flat angles C4'-P-C4' energy: -10.701
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -17.538
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: 1
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -202.137781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.137781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.251925 (E_RNA)
where:
Base-Base interactions energy: -144.954
where: short stacking energy: -61.524
Base-Backbone interact. energy: -0.135
local terms energy: -57.163370
where:
bonds (distance) C4'-P energy: -10.717
bonds (distance) P-C4' energy: -15.428
flat angles C4'-P-C4' energy: -12.092
flat angles P-C4'-P energy: -3.779
tors. eta vs tors. theta energy: -15.148
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: 8
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -216.781274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.781274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.815647 (E_RNA)
where:
Base-Base interactions energy: -161.034
where: short stacking energy: -64.646
Base-Backbone interact. energy: -0.001
local terms energy: -55.780066
where:
bonds (distance) C4'-P energy: -8.868
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -3.796
tors. eta vs tors. theta energy: -16.635
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: 112
Temperature: 1.250000
Total energy: -195.886318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.886318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.141293 (E_RNA)
where:
Base-Base interactions energy: -134.871
where: short stacking energy: -52.969
Base-Backbone interact. energy: -0.370
local terms energy: -60.900370
where:
bonds (distance) C4'-P energy: -9.507
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: -15.971
Dist. restrs. and SS energy: 0.255 (S_DIST_RNA)
chem. 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: -181.772344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.772344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.860938 (E_RNA)
where:
Base-Base interactions energy: -131.466
where: short stacking energy: -57.129
Base-Backbone interact. energy: -0.580
local terms energy: -59.815616
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -11.406
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -6.640
tors. eta vs tors. theta energy: -13.785
Dist. restrs. and SS energy: 10.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -178.913553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.913553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.674960 (E_RNA)
where:
Base-Base interactions energy: -132.825
where: short stacking energy: -57.428
Base-Backbone interact. energy: -0.462
local terms energy: -53.388297
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -8.123
flat angles C4'-P-C4' energy: -10.379
flat angles P-C4'-P energy: -5.007
tors. eta vs tors. theta energy: -18.207
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: 7
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -242.321622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.321622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.321622 (E_RNA)
where:
Base-Base interactions energy: -178.941
where: short stacking energy: -74.031
Base-Backbone interact. energy: -0.594
local terms energy: -62.786921
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -7.774
tors. eta vs tors. theta energy: -17.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -218.243208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.243208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.245627 (E_RNA)
where:
Base-Base interactions energy: -160.653
where: short stacking energy: -62.747
Base-Backbone interact. energy: -0.101
local terms energy: -57.491638
where:
bonds (distance) C4'-P energy: -13.401
bonds (distance) P-C4' energy: -11.813
flat angles C4'-P-C4' energy: -12.737
flat angles P-C4'-P energy: -6.644
tors. eta vs tors. theta energy: -12.896
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: 3
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -213.664108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.664108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.690062 (E_RNA)
where:
Base-Base interactions energy: -151.414
where: short stacking energy: -67.315
Base-Backbone interact. energy: -0.832
local terms energy: -61.443801
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -11.316
flat angles P-C4'-P energy: -7.011
tors. eta vs tors. theta energy: -15.159
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: 6
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -214.728577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.728577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.814097 (E_RNA)
where:
Base-Base interactions energy: -153.883
where: short stacking energy: -59.013
Base-Backbone interact. energy: 0.187
local terms energy: -61.118026
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -11.597
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -15.561
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: 2
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -204.641545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.641545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.641545 (E_RNA)
where:
Base-Base interactions energy: -145.710
where: short stacking energy: -62.901
Base-Backbone interact. energy: -0.053
local terms energy: -58.877817
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -12.217
flat angles P-C4'-P energy: -4.946
tors. eta vs tors. theta energy: -13.767
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -216.644784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.644784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.678364 (E_RNA)
where:
Base-Base interactions energy: -156.243
where: short stacking energy: -66.179
Base-Backbone interact. energy: -0.366
local terms energy: -60.069137
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -12.498
flat angles C4'-P-C4' energy: -10.266
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -16.657
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: 1
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -203.864479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.864479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.977450 (E_RNA)
where:
Base-Base interactions energy: -144.950
where: short stacking energy: -61.004
Base-Backbone interact. energy: -0.045
local terms energy: -58.982523
where:
bonds (distance) C4'-P energy: -11.312
bonds (distance) P-C4' energy: -11.010
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -14.867
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: 113
Temperature: 1.250000
Total energy: -180.342668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.342668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.853121 (E_RNA)
where:
Base-Base interactions energy: -131.741
where: short stacking energy: -60.775
Base-Backbone interact. energy: -0.068
local terms energy: -55.044659
where:
bonds (distance) C4'-P energy: -12.069
bonds (distance) P-C4' energy: -6.713
flat angles C4'-P-C4' energy: -14.552
flat angles P-C4'-P energy: -5.775
tors. eta vs tors. theta energy: -15.935
Dist. restrs. and SS energy: 6.510 (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: 10
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -202.413384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.413384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.472276 (E_RNA)
where:
Base-Base interactions energy: -141.748
where: short stacking energy: -66.176
Base-Backbone interact. energy: -0.379
local terms energy: -60.345269
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -11.358
flat angles C4'-P-C4' energy: -10.367
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -17.832
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: 10, replica: 4
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -179.524422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.524422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.027655 (E_RNA)
where:
Base-Base interactions energy: -134.770
where: short stacking energy: -60.377
Base-Backbone interact. energy: -1.704
local terms energy: -51.552897
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -9.408
flat angles P-C4'-P energy: -1.648
tors. eta vs tors. theta energy: -14.602
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: 1, replica: 9
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -217.364168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.364168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.388012 (E_RNA)
where:
Base-Base interactions energy: -148.950
where: short stacking energy: -60.359
Base-Backbone interact. energy: -0.001
local terms energy: -68.436758
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -12.257
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -17.000
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: 114
Temperature: 0.950000
Total energy: -233.747289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.747289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.752000 (E_RNA)
where:
Base-Base interactions energy: -168.380
where: short stacking energy: -68.521
Base-Backbone interact. energy: -0.797
local terms energy: -64.574486
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -6.905
tors. eta vs tors. theta energy: -15.845
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: 114
Temperature: 1.000000
Total energy: -215.036558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.036558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.036558 (E_RNA)
where:
Base-Base interactions energy: -149.521
where: short stacking energy: -59.487
Base-Backbone interact. energy: -0.004
local terms energy: -65.511775
where:
bonds (distance) C4'-P energy: -10.586
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -8.283
tors. eta vs tors. theta energy: -17.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -209.871331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.871331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.871331 (E_RNA)
where:
Base-Base interactions energy: -150.505
where: short stacking energy: -63.489
Base-Backbone interact. energy: 0.874
local terms energy: -60.239846
where:
bonds (distance) C4'-P energy: -9.018
bonds (distance) P-C4' energy: -11.534
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -11.021
tors. eta vs tors. theta energy: -15.833
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -211.643785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.643785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.715853 (E_RNA)
where:
Base-Base interactions energy: -148.992
where: short stacking energy: -60.963
Base-Backbone interact. energy: -0.580
local terms energy: -62.143808
where:
bonds (distance) C4'-P energy: -9.751
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -12.009
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: -17.424
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: 2
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -197.923192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.923192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.024500 (E_RNA)
where:
Base-Base interactions energy: -137.633
where: short stacking energy: -55.644
Base-Backbone interact. energy: -0.073
local terms energy: -60.318271
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -12.829
flat angles C4'-P-C4' energy: -11.457
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -16.484
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: 7, replica: 5
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -191.345604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.345604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.963310 (E_RNA)
where:
Base-Base interactions energy: -136.123
where: short stacking energy: -61.760
Base-Backbone interact. energy: -0.000
local terms energy: -61.840422
where:
bonds (distance) C4'-P energy: -9.525
bonds (distance) P-C4' energy: -10.604
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -16.678
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: 8, replica: 1
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -205.308349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.308349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.494810 (E_RNA)
where:
Base-Base interactions energy: -141.641
where: short stacking energy: -56.299
Base-Backbone interact. energy: -0.293
local terms energy: -63.560832
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -11.253
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: 10
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -191.829762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.829762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.879613 (E_RNA)
where:
Base-Base interactions energy: -144.247
where: short stacking energy: -58.787
Base-Backbone interact. energy: -0.078
local terms energy: -47.554156
where:
bonds (distance) C4'-P energy: -6.326
bonds (distance) P-C4' energy: -9.528
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: -6.005
tors. eta vs tors. theta energy: -12.732
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: 114
Temperature: 1.350000
Total energy: -168.969331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.969331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.467916 (E_RNA)
where:
Base-Base interactions energy: -122.155
where: short stacking energy: -49.001
Base-Backbone interact. energy: -0.101
local terms energy: -53.211584
where:
bonds (distance) C4'-P energy: -10.923
bonds (distance) P-C4' energy: -12.389
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -3.226
tors. eta vs tors. theta energy: -14.189
Dist. restrs. and SS energy: 6.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -227.203708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.203708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.221272 (E_RNA)
where:
Base-Base interactions energy: -155.862
where: short stacking energy: -63.479
Base-Backbone interact. energy: -0.277
local terms energy: -71.081593
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: -15.181
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: 6
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -223.434611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.434611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.434611 (E_RNA)
where:
Base-Base interactions energy: -157.308
where: short stacking energy: -68.601
Base-Backbone interact. energy: -0.156
local terms energy: -65.970300
where:
bonds (distance) C4'-P energy: -8.119
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -18.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -233.554667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.554667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.575365 (E_RNA)
where:
Base-Base interactions energy: -170.641
where: short stacking energy: -68.752
Base-Backbone interact. energy: -0.017
local terms energy: -62.916941
where:
bonds (distance) C4'-P energy: -11.035
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -5.851
tors. eta vs tors. theta energy: -15.379
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: 8
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -213.118987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.118987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.141293 (E_RNA)
where:
Base-Base interactions energy: -155.802
where: short stacking energy: -62.333
Base-Backbone interact. energy: -0.038
local terms energy: -57.300693
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -11.559
flat angles P-C4'-P energy: -7.692
tors. eta vs tors. theta energy: -11.819
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: 115
Temperature: 1.100000
Total energy: -216.583826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.583826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.617176 (E_RNA)
where:
Base-Base interactions energy: -162.543
where: short stacking energy: -63.112
Base-Backbone interact. energy: -0.013
local terms energy: -54.061286
where:
bonds (distance) C4'-P energy: -9.423
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -10.409
flat angles P-C4'-P energy: -4.196
tors. eta vs tors. theta energy: -16.202
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: 115
Temperature: 1.150000
Total energy: -222.670293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.670293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.694761 (E_RNA)
where:
Base-Base interactions energy: -161.312
where: short stacking energy: -63.576
Base-Backbone interact. energy: -0.061
local terms energy: -61.322017
where:
bonds (distance) C4'-P energy: -10.977
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -2.951
tors. eta vs tors. theta energy: -17.932
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: 5
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -178.124047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.124047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.781667 (E_RNA)
where:
Base-Base interactions energy: -126.747
where: short stacking energy: -56.596
Base-Backbone interact. energy: -0.000
local terms energy: -60.033865
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -11.959
flat angles C4'-P-C4' energy: -11.708
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -16.742
Dist. restrs. and SS energy: 8.658 (S_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: 115
Temperature: 1.250000
Total energy: -196.002690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.002690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.220270 (E_RNA)
where:
Base-Base interactions energy: -141.919
where: short stacking energy: -54.175
Base-Backbone interact. energy: -0.003
local terms energy: -54.298818
where:
bonds (distance) C4'-P energy: -9.076
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -8.618
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -14.375
Dist. restrs. and SS energy: 0.218 (S_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: 115
Temperature: 1.300000
Total energy: -197.051006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.051006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.087010 (E_RNA)
where:
Base-Base interactions energy: -145.059
where: short stacking energy: -63.003
Base-Backbone interact. energy: -0.165
local terms energy: -51.862839
where:
bonds (distance) C4'-P energy: -5.682
bonds (distance) P-C4' energy: -10.024
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -5.378
tors. eta vs tors. theta energy: -16.549
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: 4
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -179.927524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.927524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.479055 (E_RNA)
where:
Base-Base interactions energy: -126.707
where: short stacking energy: -55.023
Base-Backbone interact. energy: -0.107
local terms energy: -60.664966
where:
bonds (distance) C4'-P energy: -10.550
bonds (distance) P-C4' energy: -12.873
flat angles C4'-P-C4' energy: -11.450
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -17.162
Dist. restrs. and SS energy: 7.552 (S_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: 116
Temperature: 0.900000
Total energy: -222.395244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.395244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.472396 (E_RNA)
where:
Base-Base interactions energy: -153.159
where: short stacking energy: -63.140
Base-Backbone interact. energy: -0.006
local terms energy: -69.308074
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -13.186
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -10.643
tors. eta vs tors. theta energy: -16.977
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: 9
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -219.713594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.713594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.713594 (E_RNA)
where:
Base-Base interactions energy: -153.354
where: short stacking energy: -62.203
Base-Backbone interact. energy: -0.000
local terms energy: -66.359080
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -10.943
tors. eta vs tors. theta energy: -12.432
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: 7
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -233.548050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.548050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.548050 (E_RNA)
where:
Base-Base interactions energy: -171.706
where: short stacking energy: -66.729
Base-Backbone interact. energy: -0.261
local terms energy: -61.581166
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -8.712
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -5.099
tors. eta vs tors. theta energy: -18.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -211.312382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.312382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.428168 (E_RNA)
where:
Base-Base interactions energy: -141.035
where: short stacking energy: -58.766
Base-Backbone interact. energy: 0.174
local terms energy: -70.566811
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -14.112
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: -15.884
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: 3
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -216.300927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.300927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.312595 (E_RNA)
where:
Base-Base interactions energy: -156.645
where: short stacking energy: -60.959
Base-Backbone interact. energy: -0.047
local terms energy: -59.620579
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -10.318
flat angles P-C4'-P energy: -6.217
tors. eta vs tors. theta energy: -17.371
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: 2
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -206.647929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.647929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.673263 (E_RNA)
where:
Base-Base interactions energy: -144.549
where: short stacking energy: -61.453
Base-Backbone interact. energy: -0.127
local terms energy: -61.997611
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -11.182
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -16.981
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: 116
Temperature: 1.200000
Total energy: -206.454906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.454906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.545665 (E_RNA)
where:
Base-Base interactions energy: -143.135
where: short stacking energy: -63.814
Base-Backbone interact. energy: -0.003
local terms energy: -63.407937
where:
bonds (distance) C4'-P energy: -5.697
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -12.031
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -18.545
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: 116
Temperature: 1.250000
Total energy: -181.111158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.111158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.299080 (E_RNA)
where:
Base-Base interactions energy: -134.289
where: short stacking energy: -60.782
Base-Backbone interact. energy: -0.070
local terms energy: -53.940185
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -9.842
flat angles C4'-P-C4' energy: -11.742
flat angles P-C4'-P energy: -6.880
tors. eta vs tors. theta energy: -14.115
Dist. restrs. and SS energy: 7.188 (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: 4
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -177.440985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.440985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.606714 (E_RNA)
where:
Base-Base interactions energy: -136.218
where: short stacking energy: -54.906
Base-Backbone interact. energy: -0.312
local terms energy: -49.076013
where:
bonds (distance) C4'-P energy: -10.385
bonds (distance) P-C4' energy: -11.451
flat angles C4'-P-C4' energy: -8.367
flat angles P-C4'-P energy: -7.653
tors. eta vs tors. theta energy: -11.221
Dist. restrs. and SS energy: 8.166 (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: 1
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -202.306892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.306892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.308359 (E_RNA)
where:
Base-Base interactions energy: -142.198
where: short stacking energy: -57.962
Base-Backbone interact. energy: -0.001
local terms energy: -60.109007
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -11.289
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -14.890
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: 6
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -216.167472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.167472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.208820 (E_RNA)
where:
Base-Base interactions energy: -146.822
where: short stacking energy: -61.010
Base-Backbone interact. energy: -0.003
local terms energy: -69.383777
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -18.647
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: 7
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -230.109211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.109211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.200661 (E_RNA)
where:
Base-Base interactions energy: -162.324
where: short stacking energy: -61.706
Base-Backbone interact. energy: -0.042
local terms energy: -67.835237
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -14.091
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -7.089
tors. eta vs tors. theta energy: -17.888
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: 9
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -216.791207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.791207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.819255 (E_RNA)
where:
Base-Base interactions energy: -157.152
where: short stacking energy: -62.541
Base-Backbone interact. energy: 0.293
local terms energy: -59.960694
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -11.457
flat angles P-C4'-P energy: -5.252
tors. eta vs tors. theta energy: -13.974
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: 3
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -205.013961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.013961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.040077 (E_RNA)
where:
Base-Base interactions energy: -144.152
where: short stacking energy: -56.005
Base-Backbone interact. energy: -0.043
local terms energy: -60.845218
where:
bonds (distance) C4'-P energy: -9.975
bonds (distance) P-C4' energy: -14.777
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -13.502
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: 8
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -208.700967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.700967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.990212 (E_RNA)
where:
Base-Base interactions energy: -149.098
where: short stacking energy: -60.748
Base-Backbone interact. energy: -0.182
local terms energy: -59.710204
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -12.509
flat angles C4'-P-C4' energy: -10.366
flat angles P-C4'-P energy: -6.971
tors. eta vs tors. theta energy: -17.972
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: 6, replica: 2
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -202.545639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.545639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.563474 (E_RNA)
where:
Base-Base interactions energy: -145.461
where: short stacking energy: -51.934
Base-Backbone interact. energy: -0.015
local terms energy: -57.087206
where:
bonds (distance) C4'-P energy: -10.885
bonds (distance) P-C4' energy: -12.680
flat angles C4'-P-C4' energy: -11.662
flat angles P-C4'-P energy: -11.055
tors. eta vs tors. theta energy: -10.805
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: 10
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -199.556880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.556880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.656040 (E_RNA)
where:
Base-Base interactions energy: -139.206
where: short stacking energy: -54.054
Base-Backbone interact. energy: 0.130
local terms energy: -60.580068
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -4.802
tors. eta vs tors. theta energy: -13.409
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: 5
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -186.263045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.263045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.144667 (E_RNA)
where:
Base-Base interactions energy: -132.138
where: short stacking energy: -56.228
Base-Backbone interact. energy: -0.000
local terms energy: -61.006233
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -9.367
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -6.822
tors. eta vs tors. theta energy: -16.629
Dist. restrs. and SS energy: 6.882 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -178.092223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.092223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.172368 (E_RNA)
where:
Base-Base interactions energy: -131.487
where: short stacking energy: -54.927
Base-Backbone interact. energy: -0.014
local terms energy: -53.671729
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -7.972
flat angles C4'-P-C4' energy: -11.050
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -14.157
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: 1
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -196.383112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.383112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.478228 (E_RNA)
where:
Base-Base interactions energy: -143.695
where: short stacking energy: -51.391
Base-Backbone interact. energy: -0.037
local terms energy: -52.746347
where:
bonds (distance) C4'-P energy: -7.500
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -10.634
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -12.411
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: 1, replica: 7
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -218.413046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.413046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.452928 (E_RNA)
where:
Base-Base interactions energy: -148.590
where: short stacking energy: -62.011
Base-Backbone interact. energy: -0.023
local terms energy: -69.839623
where:
bonds (distance) C4'-P energy: -12.739
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -16.514
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: 118
Temperature: 0.950000
Total energy: -214.919314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.919314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.100418 (E_RNA)
where:
Base-Base interactions energy: -153.041
where: short stacking energy: -64.569
Base-Backbone interact. energy: 0.475
local terms energy: -62.534394
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -11.890
flat angles C4'-P-C4' energy: -11.739
flat angles P-C4'-P energy: -7.360
tors. eta vs tors. theta energy: -18.554
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: 3, replica: 9
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -214.396697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.396697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.663254 (E_RNA)
where:
Base-Base interactions energy: -156.731
where: short stacking energy: -64.972
Base-Backbone interact. energy: -0.039
local terms energy: -57.893235
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -10.372
flat angles C4'-P-C4' energy: -11.210
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -15.344
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: 4, replica: 3
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -206.641903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.641903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.661186 (E_RNA)
where:
Base-Base interactions energy: -146.240
where: short stacking energy: -57.132
Base-Backbone interact. energy: -0.009
local terms energy: -60.412248
where:
bonds (distance) C4'-P energy: -10.190
bonds (distance) P-C4' energy: -10.948
flat angles C4'-P-C4' energy: -13.803
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -14.344
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: 118
Temperature: 1.100000
Total energy: -214.780245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.780245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.913224 (E_RNA)
where:
Base-Base interactions energy: -157.479
where: short stacking energy: -61.700
Base-Backbone interact. energy: -0.934
local terms energy: -56.499824
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -10.149
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -4.847
tors. eta vs tors. theta energy: -14.677
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: 8
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -206.475450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.475450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.531834 (E_RNA)
where:
Base-Base interactions energy: -144.671
where: short stacking energy: -62.343
Base-Backbone interact. energy: -0.000
local terms energy: -61.860028
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -10.882
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -7.368
tors. eta vs tors. theta energy: -15.962
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: 5
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -172.225351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.225351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.345102 (E_RNA)
where:
Base-Base interactions energy: -126.723
where: short stacking energy: -53.570
Base-Backbone interact. energy: -0.144
local terms energy: -53.477912
where:
bonds (distance) C4'-P energy: -10.942
bonds (distance) P-C4' energy: -11.987
flat angles C4'-P-C4' energy: -11.403
flat angles P-C4'-P energy: -6.435
tors. eta vs tors. theta energy: -12.711
Dist. restrs. and SS energy: 8.120 (S_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: 118
Temperature: 1.250000
Total energy: -197.582108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.582108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.582108 (E_RNA)
where:
Base-Base interactions energy: -136.445
where: short stacking energy: -51.451
Base-Backbone interact. energy: -0.077
local terms energy: -61.060858
where:
bonds (distance) C4'-P energy: -10.978
bonds (distance) P-C4' energy: -13.059
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -12.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -196.988245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.988245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.086984 (E_RNA)
where:
Base-Base interactions energy: -139.044
where: short stacking energy: -55.489
Base-Backbone interact. energy: -0.068
local terms energy: -57.975041
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -11.418
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: -12.785
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: -168.484601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.484601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.096496 (E_RNA)
where:
Base-Base interactions energy: -127.657
where: short stacking energy: -58.346
Base-Backbone interact. energy: -0.069
local terms energy: -52.370329
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -5.526
tors. eta vs tors. theta energy: -11.519
Dist. restrs. and SS energy: 11.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -226.715103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.715103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.734610 (E_RNA)
where:
Base-Base interactions energy: -163.939
where: short stacking energy: -66.381
Base-Backbone interact. energy: -0.000
local terms energy: -62.795334
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -11.037
flat angles P-C4'-P energy: -7.423
tors. eta vs tors. theta energy: -15.454
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: 9
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -214.232593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.232593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.256063 (E_RNA)
where:
Base-Base interactions energy: -155.203
where: short stacking energy: -67.035
Base-Backbone interact. energy: -0.239
local terms energy: -58.814025
where:
bonds (distance) C4'-P energy: -12.068
bonds (distance) P-C4' energy: -10.379
flat angles C4'-P-C4' energy: -12.110
flat angles P-C4'-P energy: -7.581
tors. eta vs tors. theta energy: -16.676
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: 6
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -211.233700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.233700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.246272 (E_RNA)
where:
Base-Base interactions energy: -147.040
where: short stacking energy: -60.856
Base-Backbone interact. energy: -0.124
local terms energy: -64.082105
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -12.307
flat angles C4'-P-C4' energy: -13.299
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -13.542
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: 2
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -206.617451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.617451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.724712 (E_RNA)
where:
Base-Base interactions energy: -146.683
where: short stacking energy: -59.391
Base-Backbone interact. energy: -0.185
local terms energy: -59.857470
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -11.470
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -7.896
tors. eta vs tors. theta energy: -16.833
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: 3
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -205.349079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.349079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.408948 (E_RNA)
where:
Base-Base interactions energy: -145.747
where: short stacking energy: -54.668
Base-Backbone interact. energy: -0.176
local terms energy: -59.485829
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -10.381
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: 119
Temperature: 1.150000
Total energy: -193.002235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.002235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.675995 (E_RNA)
where:
Base-Base interactions energy: -143.102
where: short stacking energy: -60.925
Base-Backbone interact. energy: -0.008
local terms energy: -57.566198
where:
bonds (distance) C4'-P energy: -10.053
bonds (distance) P-C4' energy: -11.719
flat angles C4'-P-C4' energy: -10.717
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -16.579
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: 7, replica: 8
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -211.995035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.995035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.129803 (E_RNA)
where:
Base-Base interactions energy: -157.177
where: short stacking energy: -64.435
Base-Backbone interact. energy: -0.108
local terms energy: -54.845545
where:
bonds (distance) C4'-P energy: -6.886
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -4.372
tors. eta vs tors. theta energy: -16.109
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: 8, replica: 10
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -201.462564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.462564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.835622 (E_RNA)
where:
Base-Base interactions energy: -149.561
where: short stacking energy: -56.527
Base-Backbone interact. energy: -0.115
local terms energy: -52.158969
where:
bonds (distance) C4'-P energy: -7.511
bonds (distance) P-C4' energy: -14.714
flat angles C4'-P-C4' energy: -11.546
flat angles P-C4'-P energy: -6.010
tors. eta vs tors. theta energy: -12.378
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: 9, replica: 1
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -189.617600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.617600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.931942 (E_RNA)
where:
Base-Base interactions energy: -133.361
where: short stacking energy: -53.101
Base-Backbone interact. energy: -0.046
local terms energy: -56.524815
where:
bonds (distance) C4'-P energy: -9.143
bonds (distance) P-C4' energy: -11.324
flat angles C4'-P-C4' energy: -11.329
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -14.681
Dist. restrs. and SS energy: 0.314 (S_DIST_RNA)
chem. 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: -175.021508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.021508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.637415 (E_RNA)
where:
Base-Base interactions energy: -133.260
where: short stacking energy: -53.159
Base-Backbone interact. energy: -0.020
local terms energy: -49.357704
where:
bonds (distance) C4'-P energy: -8.355
bonds (distance) P-C4' energy: -11.159
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -3.509
tors. eta vs tors. theta energy: -13.211
Dist. restrs. and SS energy: 7.616 (S_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: -221.272493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.272493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.357996 (E_RNA)
where:
Base-Base interactions energy: -156.119
where: short stacking energy: -61.171
Base-Backbone interact. energy: -0.734
local terms energy: -64.505561
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -3.556
tors. eta vs tors. theta energy: -16.943
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: 7
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -222.886651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.886651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.903114 (E_RNA)
where:
Base-Base interactions energy: -161.946
where: short stacking energy: -63.781
Base-Backbone interact. energy: -0.004
local terms energy: -60.953067
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -8.816
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -7.666
tors. eta vs tors. theta energy: -16.487
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: 120
Temperature: 1.000000
Total energy: -213.976977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.976977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.000304 (E_RNA)
where:
Base-Base interactions energy: -149.434
where: short stacking energy: -65.288
Base-Backbone interact. energy: -0.021
local terms energy: -64.545879
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -9.787
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -14.556
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: 6
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -205.226011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.226011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.234384 (E_RNA)
where:
Base-Base interactions energy: -143.421
where: short stacking energy: -58.412
Base-Backbone interact. energy: 1.453
local terms energy: -63.266962
where:
bonds (distance) C4'-P energy: -13.265
bonds (distance) P-C4' energy: -9.536
flat angles C4'-P-C4' energy: -12.108
flat angles P-C4'-P energy: -11.092
tors. eta vs tors. theta energy: -17.265
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: 5
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -189.585862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.585862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.063569 (E_RNA)
where:
Base-Base interactions energy: -145.110
where: short stacking energy: -58.381
Base-Backbone interact. energy: -0.095
local terms energy: -51.858820
where:
bonds (distance) C4'-P energy: -9.549
bonds (distance) P-C4' energy: -10.854
flat angles C4'-P-C4' energy: -12.399
flat angles P-C4'-P energy: -7.826
tors. eta vs tors. theta energy: -11.232
Dist. restrs. and SS energy: 7.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -203.660393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.660393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.743213 (E_RNA)
where:
Base-Base interactions energy: -144.416
where: short stacking energy: -60.815
Base-Backbone interact. energy: -0.697
local terms energy: -58.630367
where:
bonds (distance) C4'-P energy: -9.366
bonds (distance) P-C4' energy: -7.293
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -10.970
tors. eta vs tors. theta energy: -15.544
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: 120
Temperature: 1.200000
Total energy: -202.726576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.726576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.777155 (E_RNA)
where:
Base-Base interactions energy: -140.435
where: short stacking energy: -59.419
Base-Backbone interact. energy: -0.003
local terms energy: -62.339105
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -11.466
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: -17.481
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: 8
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -193.003880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.003880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.011435 (E_RNA)
where:
Base-Base interactions energy: -137.388
where: short stacking energy: -53.398
Base-Backbone interact. energy: -0.026
local terms energy: -55.597460
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -7.961
flat angles C4'-P-C4' energy: -9.301
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -16.066
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: 9, replica: 4
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -178.553079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.553079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.255427 (E_RNA)
where:
Base-Base interactions energy: -126.928
where: short stacking energy: -55.584
Base-Backbone interact. energy: -0.052
local terms energy: -58.275537
where:
bonds (distance) C4'-P energy: -8.793
bonds (distance) P-C4' energy: -11.722
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -14.160
Dist. restrs. and SS energy: 6.702 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -189.058171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.058171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.166956 (E_RNA)
where:
Base-Base interactions energy: -128.395
where: short stacking energy: -49.476
Base-Backbone interact. energy: -0.005
local terms energy: -60.767141
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -10.687
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -13.293
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: 1, replica: 9
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -232.727196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.727196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.786027 (E_RNA)
where:
Base-Base interactions energy: -168.892
where: short stacking energy: -68.728
Base-Backbone interact. energy: -0.006
local terms energy: -63.888231
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -4.675
tors. eta vs tors. theta energy: -17.783
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: 121
Temperature: 0.950000
Total energy: -216.887746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.887746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.006204 (E_RNA)
where:
Base-Base interactions energy: -145.807
where: short stacking energy: -64.170
Base-Backbone interact. energy: -0.007
local terms energy: -71.191721
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -16.843
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: 121
Temperature: 1.000000
Total energy: -218.872152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.872152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.979069 (E_RNA)
where:
Base-Base interactions energy: -163.708
where: short stacking energy: -67.158
Base-Backbone interact. energy: -0.001
local terms energy: -55.270696
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -10.678
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -4.455
tors. eta vs tors. theta energy: -16.633
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: 6
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -213.420676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.420676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.664883 (E_RNA)
where:
Base-Base interactions energy: -148.692
where: short stacking energy: -59.639
Base-Backbone interact. energy: -0.021
local terms energy: -64.952615
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -9.830
flat angles P-C4'-P energy: -6.666
tors. eta vs tors. theta energy: -18.613
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: 5
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -192.588441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.588441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.795780 (E_RNA)
where:
Base-Base interactions energy: -139.614
where: short stacking energy: -61.788
Base-Backbone interact. energy: -0.012
local terms energy: -61.169169
where:
bonds (distance) C4'-P energy: -9.445
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -12.930
Dist. restrs. and SS energy: 8.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -207.279077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.279077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.514568 (E_RNA)
where:
Base-Base interactions energy: -154.194
where: short stacking energy: -61.481
Base-Backbone interact. energy: -0.001
local terms energy: -53.319586
where:
bonds (distance) C4'-P energy: -9.624
bonds (distance) P-C4' energy: -9.623
flat angles C4'-P-C4' energy: -10.543
flat angles P-C4'-P energy: -6.688
tors. eta vs tors. theta energy: -16.842
Dist. restrs. and SS energy: 0.235 (S_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: 121
Temperature: 1.200000
Total energy: -203.070317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.070317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.082593 (E_RNA)
where:
Base-Base interactions energy: -141.468
where: short stacking energy: -57.091
Base-Backbone interact. energy: -0.034
local terms energy: -61.581170
where:
bonds (distance) C4'-P energy: -9.851
bonds (distance) P-C4' energy: -12.349
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -14.979
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: 4
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -175.214297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.214297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.896620 (E_RNA)
where:
Base-Base interactions energy: -136.138
where: short stacking energy: -62.327
Base-Backbone interact. energy: -0.027
local terms energy: -47.731809
where:
bonds (distance) C4'-P energy: -8.977
bonds (distance) P-C4' energy: -8.942
flat angles C4'-P-C4' energy: -11.411
flat angles P-C4'-P energy: -2.908
tors. eta vs tors. theta energy: -15.494
Dist. restrs. and SS energy: 8.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -195.159954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.159954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.395300 (E_RNA)
where:
Base-Base interactions energy: -136.918
where: short stacking energy: -57.778
Base-Backbone interact. energy: -0.105
local terms energy: -58.372324
where:
bonds (distance) C4'-P energy: -9.787
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -12.456
flat angles P-C4'-P energy: -6.814
tors. eta vs tors. theta energy: -15.004
Dist. restrs. and SS energy: 0.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -195.224213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.224213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.273422 (E_RNA)
where:
Base-Base interactions energy: -141.165
where: short stacking energy: -54.901
Base-Backbone interact. energy: -0.240
local terms energy: -53.868335
where:
bonds (distance) C4'-P energy: -7.065
bonds (distance) P-C4' energy: -9.712
flat angles C4'-P-C4' energy: -13.174
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -15.332
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: 1, replica: 9
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -234.884011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.884011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.916410 (E_RNA)
where:
Base-Base interactions energy: -171.299
where: short stacking energy: -69.221
Base-Backbone interact. energy: -0.003
local terms energy: -63.614630
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -3.763
tors. eta vs tors. theta energy: -19.525
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: 2
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -230.901591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.901591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.047135 (E_RNA)
where:
Base-Base interactions energy: -169.151
where: short stacking energy: -64.376
Base-Backbone interact. energy: -0.015
local terms energy: -61.880159
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -11.171
flat angles P-C4'-P energy: -2.488
tors. eta vs tors. theta energy: -18.561
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: 3, replica: 6
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -221.337804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.337804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.369765 (E_RNA)
where:
Base-Base interactions energy: -161.537
where: short stacking energy: -64.482
Base-Backbone interact. energy: -0.031
local terms energy: -59.801709
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: -5.433
tors. eta vs tors. theta energy: -17.378
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: 7
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -214.854384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.854384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.935522 (E_RNA)
where:
Base-Base interactions energy: -151.242
where: short stacking energy: -60.520
Base-Backbone interact. energy: -0.000
local terms energy: -63.692765
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: -15.858
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: 122
Temperature: 1.100000
Total energy: -208.289611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.289611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.289611 (E_RNA)
where:
Base-Base interactions energy: -147.307
where: short stacking energy: -59.554
Base-Backbone interact. energy: -0.134
local terms energy: -60.849181
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -11.922
flat angles C4'-P-C4' energy: -12.559
flat angles P-C4'-P energy: -8.515
tors. eta vs tors. theta energy: -15.188
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: 6, replica: 5
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -193.892183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.892183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.530417 (E_RNA)
where:
Base-Base interactions energy: -143.609
where: short stacking energy: -66.650
Base-Backbone interact. energy: -0.776
local terms energy: -57.145871
where:
bonds (distance) C4'-P energy: -6.787
bonds (distance) P-C4' energy: -8.796
flat angles C4'-P-C4' energy: -13.076
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -18.857
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: 7, replica: 3
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -205.767306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.767306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.836150 (E_RNA)
where:
Base-Base interactions energy: -147.525
where: short stacking energy: -57.897
Base-Backbone interact. energy: -0.021
local terms energy: -58.289752
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -9.870
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -7.920
tors. eta vs tors. theta energy: -17.734
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: 4
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -178.440078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.440078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.118679 (E_RNA)
where:
Base-Base interactions energy: -128.804
where: short stacking energy: -51.540
Base-Backbone interact. energy: -0.918
local terms energy: -56.396156
where:
bonds (distance) C4'-P energy: -9.761
bonds (distance) P-C4' energy: -10.612
flat angles C4'-P-C4' energy: -12.698
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -12.730
Dist. restrs. and SS energy: 7.679 (S_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: 122
Temperature: 1.300000
Total energy: -196.892714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.892714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.991995 (E_RNA)
where:
Base-Base interactions energy: -141.472
where: short stacking energy: -55.040
Base-Backbone interact. energy: -0.101
local terms energy: -55.419903
where:
bonds (distance) C4'-P energy: -10.261
bonds (distance) P-C4' energy: -8.278
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -15.191
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: 8
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -194.664403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.664403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.839156 (E_RNA)
where:
Base-Base interactions energy: -132.304
where: short stacking energy: -48.380
Base-Backbone interact. energy: -0.120
local terms energy: -62.414445
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -3.907
tors. eta vs tors. theta energy: -14.450
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: 1, replica: 9
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -231.991943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.991943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.210899 (E_RNA)
where:
Base-Base interactions energy: -171.056
where: short stacking energy: -70.165
Base-Backbone interact. energy: -0.414
local terms energy: -60.740533
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -12.564
flat angles P-C4'-P energy: -4.444
tors. eta vs tors. theta energy: -16.006
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: 2, replica: 6
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -224.814956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.814956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.814956 (E_RNA)
where:
Base-Base interactions energy: -166.148
where: short stacking energy: -65.278
Base-Backbone interact. energy: -0.005
local terms energy: -58.661703
where:
bonds (distance) C4'-P energy: -10.798
bonds (distance) P-C4' energy: -10.615
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -5.992
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: 2
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -227.192982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.192982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.209263 (E_RNA)
where:
Base-Base interactions energy: -165.839
where: short stacking energy: -65.600
Base-Backbone interact. energy: -0.580
local terms energy: -60.789777
where:
bonds (distance) C4'-P energy: -9.676
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -5.301
tors. eta vs tors. theta energy: -15.683
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: 123
Temperature: 1.050000
Total energy: -209.991811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.991811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.049014 (E_RNA)
where:
Base-Base interactions energy: -150.874
where: short stacking energy: -58.306
Base-Backbone interact. energy: -0.404
local terms energy: -58.771935
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -11.591
flat angles C4'-P-C4' energy: -12.168
flat angles P-C4'-P energy: -7.369
tors. eta vs tors. theta energy: -13.168
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: 123
Temperature: 1.100000
Total energy: -202.198206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.198206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.406508 (E_RNA)
where:
Base-Base interactions energy: -141.271
where: short stacking energy: -55.843
Base-Backbone interact. energy: 0.448
local terms energy: -61.583254
where:
bonds (distance) C4'-P energy: -9.677
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -8.935
tors. eta vs tors. theta energy: -12.041
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: 6, replica: 3
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -203.785457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.785457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.841302 (E_RNA)
where:
Base-Base interactions energy: -146.907
where: short stacking energy: -54.649
Base-Backbone interact. energy: -0.184
local terms energy: -56.750523
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -12.180
flat angles P-C4'-P energy: -4.131
tors. eta vs tors. theta energy: -13.064
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: 5
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -190.699830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.699830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.288670 (E_RNA)
where:
Base-Base interactions energy: -135.152
where: short stacking energy: -56.949
Base-Backbone interact. energy: -0.625
local terms energy: -62.512352
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -11.883
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -17.512
Dist. restrs. and SS energy: 7.589 (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: 1
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -201.690779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.690779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.693034 (E_RNA)
where:
Base-Base interactions energy: -143.330
where: short stacking energy: -58.548
Base-Backbone interact. energy: -0.073
local terms energy: -58.289754
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -10.409
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -7.934
tors. eta vs tors. theta energy: -16.808
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: 9, replica: 4
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -176.471254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.471254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.201642 (E_RNA)
where:
Base-Base interactions energy: -125.672
where: short stacking energy: -52.355
Base-Backbone interact. energy: -0.155
local terms energy: -58.374734
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -10.841
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -6.726
tors. eta vs tors. theta energy: -15.246
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: 10, replica: 8
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -192.804562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.804562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.804562 (E_RNA)
where:
Base-Base interactions energy: -139.624
where: short stacking energy: -47.628
Base-Backbone interact. energy: -0.273
local terms energy: -52.907294
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -9.552
flat angles C4'-P-C4' energy: -11.741
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -10.723
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -226.934869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.934869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.030571 (E_RNA)
where:
Base-Base interactions energy: -164.093
where: short stacking energy: -62.806
Base-Backbone interact. energy: -0.080
local terms energy: -62.857571
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -4.701
tors. eta vs tors. theta energy: -17.005
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: 2, replica: 6
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -215.736447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.736447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.809406 (E_RNA)
where:
Base-Base interactions energy: -149.415
where: short stacking energy: -64.338
Base-Backbone interact. energy: -0.085
local terms energy: -66.308866
where:
bonds (distance) C4'-P energy: -9.607
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -15.853
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: 2
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -218.629875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.629875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.636989 (E_RNA)
where:
Base-Base interactions energy: -158.473
where: short stacking energy: -58.645
Base-Backbone interact. energy: 0.331
local terms energy: -60.495271
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -12.755
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -3.510
tors. eta vs tors. theta energy: -14.211
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: 10
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -211.311554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.311554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.390258 (E_RNA)
where:
Base-Base interactions energy: -145.196
where: short stacking energy: -59.481
Base-Backbone interact. energy: -0.578
local terms energy: -65.615988
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -12.743
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -15.122
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: 3
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -203.598613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.598613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.639642 (E_RNA)
where:
Base-Base interactions energy: -146.529
where: short stacking energy: -57.810
Base-Backbone interact. energy: -1.176
local terms energy: -55.934203
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -10.943
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -2.352
tors. eta vs tors. theta energy: -15.046
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: 7
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -203.559782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.559782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.625709 (E_RNA)
where:
Base-Base interactions energy: -143.779
where: short stacking energy: -52.344
Base-Backbone interact. energy: -0.102
local terms energy: -59.745361
where:
bonds (distance) C4'-P energy: -9.991
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: -6.258
tors. eta vs tors. theta energy: -16.647
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: 124
Temperature: 1.200000
Total energy: -200.879635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.879635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.988527 (E_RNA)
where:
Base-Base interactions energy: -135.745
where: short stacking energy: -55.198
Base-Backbone interact. energy: -0.042
local terms energy: -65.201464
where:
bonds (distance) C4'-P energy: -13.066
bonds (distance) P-C4' energy: -12.643
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -7.699
tors. eta vs tors. theta energy: -17.974
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: 5
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -183.167937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.167937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.444131 (E_RNA)
where:
Base-Base interactions energy: -138.578
where: short stacking energy: -56.524
Base-Backbone interact. energy: -0.001
local terms energy: -51.864383
where:
bonds (distance) C4'-P energy: -9.106
bonds (distance) P-C4' energy: -8.139
flat angles C4'-P-C4' energy: -10.231
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: -15.507
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: 9, replica: 8
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -197.798372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.798372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.838972 (E_RNA)
where:
Base-Base interactions energy: -139.151
where: short stacking energy: -58.741
Base-Backbone interact. energy: -0.035
local terms energy: -58.652116
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -9.500
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: -15.699
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: 10, replica: 4
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -170.404962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.404962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.613109 (E_RNA)
where:
Base-Base interactions energy: -124.770
where: short stacking energy: -53.757
Base-Backbone interact. energy: -0.394
local terms energy: -53.449856
where:
bonds (distance) C4'-P energy: -6.071
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -6.954
tors. eta vs tors. theta energy: -12.476
Dist. restrs. and SS energy: 8.208 (S_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: -223.461829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.461829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.521161 (E_RNA)
where:
Base-Base interactions energy: -165.107
where: short stacking energy: -63.930
Base-Backbone interact. energy: -0.032
local terms energy: -58.382307
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -11.697
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -5.918
tors. eta vs tors. theta energy: -12.688
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: 125
Temperature: 0.950000
Total energy: -224.677959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.677959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.677959 (E_RNA)
where:
Base-Base interactions energy: -163.137
where: short stacking energy: -65.371
Base-Backbone interact. energy: -0.047
local terms energy: -61.493820
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -12.453
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -6.123
tors. eta vs tors. theta energy: -15.766
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -219.549819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.549819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.668421 (E_RNA)
where:
Base-Base interactions energy: -152.713
where: short stacking energy: -62.863
Base-Backbone interact. energy: -0.095
local terms energy: -66.860884
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -11.140
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -18.408
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: 4, replica: 3
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -213.977773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.977773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.050254 (E_RNA)
where:
Base-Base interactions energy: -148.883
where: short stacking energy: -59.435
Base-Backbone interact. energy: -0.321
local terms energy: -64.845943
where:
bonds (distance) C4'-P energy: -10.100
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -10.761
tors. eta vs tors. theta energy: -14.654
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: 125
Temperature: 1.100000
Total energy: -213.992714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.992714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.992714 (E_RNA)
where:
Base-Base interactions energy: -154.375
where: short stacking energy: -61.590
Base-Backbone interact. energy: -0.004
local terms energy: -59.613789
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -12.244
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -6.171
tors. eta vs tors. theta energy: -16.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -205.241851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.241851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.292046 (E_RNA)
where:
Base-Base interactions energy: -147.439
where: short stacking energy: -61.290
Base-Backbone interact. energy: -0.023
local terms energy: -57.830131
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -9.971
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -5.623
tors. eta vs tors. theta energy: -15.773
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: 125
Temperature: 1.200000
Total energy: -202.102197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.102197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.430786 (E_RNA)
where:
Base-Base interactions energy: -139.306
where: short stacking energy: -57.872
Base-Backbone interact. energy: -0.003
local terms energy: -63.122120
where:
bonds (distance) C4'-P energy: -10.958
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -16.612
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: 8, replica: 8
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -199.461533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.461533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.533758 (E_RNA)
where:
Base-Base interactions energy: -143.663
where: short stacking energy: -50.540
Base-Backbone interact. energy: -0.005
local terms energy: -55.865557
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -13.099
flat angles C4'-P-C4' energy: -11.790
flat angles P-C4'-P energy: -6.312
tors. eta vs tors. theta energy: -12.591
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: 5
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -189.575371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.575371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.617850 (E_RNA)
where:
Base-Base interactions energy: -136.761
where: short stacking energy: -56.585
Base-Backbone interact. energy: -0.054
local terms energy: -59.802971
where:
bonds (distance) C4'-P energy: -10.467
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -7.184
tors. eta vs tors. theta energy: -16.059
Dist. restrs. and SS energy: 7.042 (S_DIST_RNA)
chem. 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: -171.605317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.605317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.952852 (E_RNA)
where:
Base-Base interactions energy: -128.668
where: short stacking energy: -54.213
Base-Backbone interact. energy: -0.001
local terms energy: -50.283313
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -11.779
flat angles P-C4'-P energy: -4.206
tors. eta vs tors. theta energy: -16.028
Dist. restrs. and SS energy: 7.348 (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: 2
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -218.086300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.086300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.086300 (E_RNA)
where:
Base-Base interactions energy: -150.918
where: short stacking energy: -64.387
Base-Backbone interact. energy: -0.003
local terms energy: -67.166006
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -15.846
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -229.539245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.539245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.654807 (E_RNA)
where:
Base-Base interactions energy: -161.994
where: short stacking energy: -63.204
Base-Backbone interact. energy: -0.896
local terms energy: -66.765001
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -5.970
tors. eta vs tors. theta energy: -18.545
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: 6
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -208.956853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.956853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.096792 (E_RNA)
where:
Base-Base interactions energy: -143.703
where: short stacking energy: -60.735
Base-Backbone interact. energy: -0.014
local terms energy: -65.379171
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -12.710
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -17.943
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: 4, replica: 3
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -212.814585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.814585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.926529 (E_RNA)
where:
Base-Base interactions energy: -152.305
where: short stacking energy: -63.588
Base-Backbone interact. energy: -0.004
local terms energy: -60.618004
where:
bonds (distance) C4'-P energy: -11.412
bonds (distance) P-C4' energy: -11.906
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -7.432
tors. eta vs tors. theta energy: -17.358
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: 5, replica: 1
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -217.255622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.255622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.263856 (E_RNA)
where:
Base-Base interactions energy: -155.160
where: short stacking energy: -61.050
Base-Backbone interact. energy: -0.012
local terms energy: -62.092495
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -12.688
flat angles P-C4'-P energy: -6.529
tors. eta vs tors. theta energy: -15.866
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: 126
Temperature: 1.150000
Total energy: -202.582049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.582049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.649109 (E_RNA)
where:
Base-Base interactions energy: -143.135
where: short stacking energy: -58.943
Base-Backbone interact. energy: -0.038
local terms energy: -59.476389
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -10.892
flat angles P-C4'-P energy: -6.327
tors. eta vs tors. theta energy: -15.295
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: 7
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -200.851910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.851910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.873153 (E_RNA)
where:
Base-Base interactions energy: -143.045
where: short stacking energy: -58.700
Base-Backbone interact. energy: -0.721
local terms energy: -57.107014
where:
bonds (distance) C4'-P energy: -9.467
bonds (distance) P-C4' energy: -12.432
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -6.761
tors. eta vs tors. theta energy: -15.682
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: 8
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -194.712697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.712697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.746509 (E_RNA)
where:
Base-Base interactions energy: -136.130
where: short stacking energy: -55.584
Base-Backbone interact. energy: -0.030
local terms energy: -58.585974
where:
bonds (distance) C4'-P energy: -10.638
bonds (distance) P-C4' energy: -7.991
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -17.167
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: 5
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -174.180769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.180769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.233865 (E_RNA)
where:
Base-Base interactions energy: -119.649
where: short stacking energy: -52.547
Base-Backbone interact. energy: -1.052
local terms energy: -59.533392
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -9.667
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -15.141
Dist. restrs. and SS energy: 6.053 (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: 126
Temperature: 1.350000
Total energy: -178.179129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.179129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.498894 (E_RNA)
where:
Base-Base interactions energy: -122.921
where: short stacking energy: -55.953
Base-Backbone interact. energy: -0.055
local terms energy: -65.522763
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -12.212
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -13.575
Dist. restrs. and SS energy: 10.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -225.462687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.462687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.587861 (E_RNA)
where:
Base-Base interactions energy: -159.313
where: short stacking energy: -62.829
Base-Backbone interact. energy: -0.182
local terms energy: -66.093558
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -6.074
tors. eta vs tors. theta energy: -19.692
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: 9
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -226.611364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.611364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.675238 (E_RNA)
where:
Base-Base interactions energy: -170.414
where: short stacking energy: -67.014
Base-Backbone interact. energy: -0.005
local terms energy: -56.255598
where:
bonds (distance) C4'-P energy: -10.587
bonds (distance) P-C4' energy: -11.906
flat angles C4'-P-C4' energy: -14.472
flat angles P-C4'-P energy: -4.581
tors. eta vs tors. theta energy: -14.710
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: 6
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -215.335880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.335880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.335880 (E_RNA)
where:
Base-Base interactions energy: -152.107
where: short stacking energy: -63.851
Base-Backbone interact. energy: -0.340
local terms energy: -62.889317
where:
bonds (distance) C4'-P energy: -9.858
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -5.530
tors. eta vs tors. theta energy: -18.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -212.261290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.261290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.414503 (E_RNA)
where:
Base-Base interactions energy: -144.723
where: short stacking energy: -61.655
Base-Backbone interact. energy: 0.666
local terms energy: -68.357118
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -15.604
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: 3
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -204.547960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.547960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.547960 (E_RNA)
where:
Base-Base interactions energy: -146.623
where: short stacking energy: -55.606
Base-Backbone interact. energy: -0.017
local terms energy: -57.908784
where:
bonds (distance) C4'-P energy: -8.945
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -6.231
tors. eta vs tors. theta energy: -17.560
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -208.032505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.032505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.070179 (E_RNA)
where:
Base-Base interactions energy: -144.893
where: short stacking energy: -55.022
Base-Backbone interact. energy: -1.497
local terms energy: -61.679561
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -11.410
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -14.158
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: 10
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -201.437332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.437332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.464293 (E_RNA)
where:
Base-Base interactions energy: -143.502
where: short stacking energy: -57.044
Base-Backbone interact. energy: -0.001
local terms energy: -57.961189
where:
bonds (distance) C4'-P energy: -6.747
bonds (distance) P-C4' energy: -15.351
flat angles C4'-P-C4' energy: -11.557
flat angles P-C4'-P energy: -6.105
tors. eta vs tors. theta energy: -18.202
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: 127
Temperature: 1.250000
Total energy: -182.207647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.207647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.631804 (E_RNA)
where:
Base-Base interactions energy: -140.285
where: short stacking energy: -60.266
Base-Backbone interact. energy: -0.327
local terms energy: -49.019441
where:
bonds (distance) C4'-P energy: -3.798
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -10.196
flat angles P-C4'-P energy: -7.007
tors. eta vs tors. theta energy: -15.350
Dist. restrs. and SS energy: 7.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -194.854326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.854326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.209454 (E_RNA)
where:
Base-Base interactions energy: -137.521
where: short stacking energy: -63.566
Base-Backbone interact. energy: -0.000
local terms energy: -57.688123
where:
bonds (distance) C4'-P energy: -8.804
bonds (distance) P-C4' energy: -11.925
flat angles C4'-P-C4' energy: -11.670
flat angles P-C4'-P energy: -9.208
tors. eta vs tors. theta energy: -16.080
Dist. restrs. and SS energy: 0.355 (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: 127
Temperature: 1.350000
Total energy: -167.954194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.954194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.811629 (E_RNA)
where:
Base-Base interactions energy: -124.280
where: short stacking energy: -51.163
Base-Backbone interact. energy: -0.436
local terms energy: -49.095455
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -6.867
flat angles C4'-P-C4' energy: -7.247
flat angles P-C4'-P energy: -6.714
tors. eta vs tors. theta energy: -15.085
Dist. restrs. and SS energy: 5.857 (S_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: -227.325770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.325770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.381209 (E_RNA)
where:
Base-Base interactions energy: -166.771
where: short stacking energy: -67.460
Base-Backbone interact. energy: -0.088
local terms energy: -60.522298
where:
bonds (distance) C4'-P energy: -9.709
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -5.198
tors. eta vs tors. theta energy: -15.901
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: 2
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -230.534685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.534685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.534685 (E_RNA)
where:
Base-Base interactions energy: -164.234
where: short stacking energy: -62.577
Base-Backbone interact. energy: -0.005
local terms energy: -66.295515
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -5.348
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: 3, replica: 6
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -213.614251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.614251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.614251 (E_RNA)
where:
Base-Base interactions energy: -149.194
where: short stacking energy: -61.878
Base-Backbone interact. energy: -0.002
local terms energy: -64.418330
where:
bonds (distance) C4'-P energy: -10.580
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -16.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -209.264620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.264620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.497895 (E_RNA)
where:
Base-Base interactions energy: -142.094
where: short stacking energy: -55.041
Base-Backbone interact. energy: -0.007
local terms energy: -67.396788
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -12.571
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -14.586
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: 5, replica: 3
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -205.607010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.607010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.655555 (E_RNA)
where:
Base-Base interactions energy: -144.602
where: short stacking energy: -56.476
Base-Backbone interact. energy: -0.255
local terms energy: -60.798662
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -10.218
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -15.191
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: 6, replica: 7
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -203.731292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.731292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.777688 (E_RNA)
where:
Base-Base interactions energy: -142.741
where: short stacking energy: -56.269
Base-Backbone interact. energy: -0.059
local terms energy: -60.978045
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -12.201
flat angles P-C4'-P energy: -6.436
tors. eta vs tors. theta energy: -15.259
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: 128
Temperature: 1.200000
Total energy: -179.546660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.546660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.625216 (E_RNA)
where:
Base-Base interactions energy: -127.664
where: short stacking energy: -53.186
Base-Backbone interact. energy: -0.001
local terms energy: -58.960238
where:
bonds (distance) C4'-P energy: -9.121
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -3.091
tors. eta vs tors. theta energy: -17.267
Dist. restrs. and SS energy: 7.079 (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: 10
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -202.080894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.080894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.090185 (E_RNA)
where:
Base-Base interactions energy: -136.256
where: short stacking energy: -55.981
Base-Backbone interact. energy: 0.449
local terms energy: -66.283372
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -13.223
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -14.767
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: 128
Temperature: 1.300000
Total energy: -174.469859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.469859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.491989 (E_RNA)
where:
Base-Base interactions energy: -124.364
where: short stacking energy: -54.902
Base-Backbone interact. energy: -0.480
local terms energy: -57.647441
where:
bonds (distance) C4'-P energy: -8.091
bonds (distance) P-C4' energy: -12.280
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -6.367
tors. eta vs tors. theta energy: -16.208
Dist. restrs. and SS energy: 8.022 (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: 8
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -195.898843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.898843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.934330 (E_RNA)
where:
Base-Base interactions energy: -132.308
where: short stacking energy: -46.984
Base-Backbone interact. energy: -0.032
local terms energy: -63.594091
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -12.883
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: 9
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -217.386634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.386634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.386634 (E_RNA)
where:
Base-Base interactions energy: -153.421
where: short stacking energy: -63.590
Base-Backbone interact. energy: -0.044
local terms energy: -63.921771
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -10.781
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -17.156
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -212.945695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.945695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.945695 (E_RNA)
where:
Base-Base interactions energy: -150.583
where: short stacking energy: -63.057
Base-Backbone interact. energy: 0.555
local terms energy: -62.917756
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -13.006
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -8.227
tors. eta vs tors. theta energy: -15.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -215.208548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.208548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.247277 (E_RNA)
where:
Base-Base interactions energy: -152.148
where: short stacking energy: -61.635
Base-Backbone interact. energy: -0.144
local terms energy: -62.955458
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -10.712
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -14.648
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: 129
Temperature: 1.050000
Total energy: -209.017007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.017007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.093015 (E_RNA)
where:
Base-Base interactions energy: -149.332
where: short stacking energy: -65.155
Base-Backbone interact. energy: -0.167
local terms energy: -59.594168
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -10.272
flat angles P-C4'-P energy: -7.878
tors. eta vs tors. theta energy: -16.150
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: 129
Temperature: 1.100000
Total energy: -208.799397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.799397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.820307 (E_RNA)
where:
Base-Base interactions energy: -152.520
where: short stacking energy: -63.350
Base-Backbone interact. energy: -0.212
local terms energy: -56.088448
where:
bonds (distance) C4'-P energy: -7.260
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -10.676
flat angles P-C4'-P energy: -6.780
tors. eta vs tors. theta energy: -17.300
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: 7
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -203.993061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.993061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.043587 (E_RNA)
where:
Base-Base interactions energy: -141.876
where: short stacking energy: -57.909
Base-Backbone interact. energy: -0.098
local terms energy: -62.069770
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -4.910
tors. eta vs tors. theta energy: -16.056
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: 5
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -190.824685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.824685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.016311 (E_RNA)
where:
Base-Base interactions energy: -133.196
where: short stacking energy: -58.987
Base-Backbone interact. energy: -0.071
local terms energy: -65.749135
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -10.669
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -16.226
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: 10
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -197.846531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.846531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.962943 (E_RNA)
where:
Base-Base interactions energy: -140.879
where: short stacking energy: -54.160
Base-Backbone interact. energy: -0.693
local terms energy: -56.391154
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -7.106
flat angles C4'-P-C4' energy: -10.152
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: -16.671
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: 4
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -176.687908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.687908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.396413 (E_RNA)
where:
Base-Base interactions energy: -130.246
where: short stacking energy: -58.597
Base-Backbone interact. energy: 1.381
local terms energy: -55.531152
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -11.513
flat angles C4'-P-C4' energy: -10.876
flat angles P-C4'-P energy: -7.977
tors. eta vs tors. theta energy: -13.604
Dist. restrs. and SS energy: 7.709 (S_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: 129
Temperature: 1.350000
Total energy: -189.051467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.051467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.149641 (E_RNA)
where:
Base-Base interactions energy: -136.184
where: short stacking energy: -55.290
Base-Backbone interact. energy: -0.019
local terms energy: -52.946967
where:
bonds (distance) C4'-P energy: -10.381
bonds (distance) P-C4' energy: -10.030
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -5.296
tors. eta vs tors. theta energy: -12.565
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: 1, replica: 6
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -208.249947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.249947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.249947 (E_RNA)
where:
Base-Base interactions energy: -142.520
where: short stacking energy: -53.152
Base-Backbone interact. energy: -0.047
local terms energy: -65.682400
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -11.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -214.083648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.083648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.102437 (E_RNA)
where:
Base-Base interactions energy: -148.776
where: short stacking energy: -62.916
Base-Backbone interact. energy: -0.100
local terms energy: -65.227244
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -15.460
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: 3
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -219.267819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.267819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.267819 (E_RNA)
where:
Base-Base interactions energy: -151.809
where: short stacking energy: -61.263
Base-Backbone interact. energy: -0.062
local terms energy: -67.397203
where:
bonds (distance) C4'-P energy: -14.619
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -14.132
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -16.128
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -213.579629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.579629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.579629 (E_RNA)
where:
Base-Base interactions energy: -154.853
where: short stacking energy: -64.205
Base-Backbone interact. energy: -0.001
local terms energy: -58.726101
where:
bonds (distance) C4'-P energy: -11.576
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -3.343
tors. eta vs tors. theta energy: -15.508
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: 5, replica: 1
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -207.388969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.388969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.388969 (E_RNA)
where:
Base-Base interactions energy: -147.934
where: short stacking energy: -57.529
Base-Backbone interact. energy: -0.523
local terms energy: -58.932478
where:
bonds (distance) C4'-P energy: -8.902
bonds (distance) P-C4' energy: -12.346
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -5.754
tors. eta vs tors. theta energy: -17.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -203.310339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.310339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.384208 (E_RNA)
where:
Base-Base interactions energy: -138.202
where: short stacking energy: -56.916
Base-Backbone interact. energy: -0.003
local terms energy: -65.178701
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -11.484
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: -15.023
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: 130
Temperature: 1.200000
Total energy: -206.650918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.650918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.671724 (E_RNA)
where:
Base-Base interactions energy: -149.481
where: short stacking energy: -62.360
Base-Backbone interact. energy: -1.025
local terms energy: -56.165954
where:
bonds (distance) C4'-P energy: -10.363
bonds (distance) P-C4' energy: -11.618
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -5.426
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: 8, replica: 5
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -173.317206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.317206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.050937 (E_RNA)
where:
Base-Base interactions energy: -127.957
where: short stacking energy: -48.627
Base-Backbone interact. energy: -1.146
local terms energy: -49.947657
where:
bonds (distance) C4'-P energy: -10.436
bonds (distance) P-C4' energy: -7.750
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: -9.332
Dist. restrs. and SS energy: 5.734 (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: 130
Temperature: 1.300000
Total energy: -188.630857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.630857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.717242 (E_RNA)
where:
Base-Base interactions energy: -128.293
where: short stacking energy: -49.730
Base-Backbone interact. energy: -0.306
local terms energy: -60.118157
where:
bonds (distance) C4'-P energy: -12.467
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -13.964
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: 10, replica: 4
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -172.984218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.984218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.294389 (E_RNA)
where:
Base-Base interactions energy: -124.931
where: short stacking energy: -52.428
Base-Backbone interact. energy: -0.288
local terms energy: -56.074792
where:
bonds (distance) C4'-P energy: -10.624
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -4.622
tors. eta vs tors. theta energy: -14.434
Dist. restrs. and SS energy: 8.310 (S_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: 131
Temperature: 0.900000
Total energy: -226.008881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.008881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.119452 (E_RNA)
where:
Base-Base interactions energy: -162.317
where: short stacking energy: -63.378
Base-Backbone interact. energy: -0.001
local terms energy: -63.800661
where:
bonds (distance) C4'-P energy: -13.311
bonds (distance) P-C4' energy: -13.419
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -8.593
tors. eta vs tors. theta energy: -15.632
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: 3
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -215.098405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.098405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.155041 (E_RNA)
where:
Base-Base interactions energy: -146.240
where: short stacking energy: -63.778
Base-Backbone interact. energy: -0.891
local terms energy: -68.023771
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -7.884
tors. eta vs tors. theta energy: -16.358
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: 131
Temperature: 1.000000
Total energy: -219.596804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.596804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.612879 (E_RNA)
where:
Base-Base interactions energy: -152.758
where: short stacking energy: -60.615
Base-Backbone interact. energy: -0.060
local terms energy: -66.795061
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -15.993
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: 131
Temperature: 1.050000
Total energy: -215.193050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.193050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.199015 (E_RNA)
where:
Base-Base interactions energy: -150.418
where: short stacking energy: -59.076
Base-Backbone interact. energy: -0.000
local terms energy: -64.780350
where:
bonds (distance) C4'-P energy: -9.176
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -11.931
tors. eta vs tors. theta energy: -15.042
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: 131
Temperature: 1.100000
Total energy: -208.344088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.344088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.354157 (E_RNA)
where:
Base-Base interactions energy: -141.240
where: short stacking energy: -55.532
Base-Backbone interact. energy: -0.017
local terms energy: -67.096631
where:
bonds (distance) C4'-P energy: -12.058
bonds (distance) P-C4' energy: -11.710
flat angles C4'-P-C4' energy: -17.001
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: -14.857
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: 10
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -190.895613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.895613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.975098 (E_RNA)
where:
Base-Base interactions energy: -139.425
where: short stacking energy: -52.674
Base-Backbone interact. energy: -0.491
local terms energy: -51.058780
where:
bonds (distance) C4'-P energy: -10.786
bonds (distance) P-C4' energy: -11.109
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -6.333
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: 7
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -199.321648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.321648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.377506 (E_RNA)
where:
Base-Base interactions energy: -138.846
where: short stacking energy: -51.793
Base-Backbone interact. energy: 0.180
local terms energy: -60.710987
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -14.055
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: 8
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -189.155187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.155187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.172633 (E_RNA)
where:
Base-Base interactions energy: -137.541
where: short stacking energy: -52.361
Base-Backbone interact. energy: -0.116
local terms energy: -51.516397
where:
bonds (distance) C4'-P energy: -8.609
bonds (distance) P-C4' energy: -10.799
flat angles C4'-P-C4' energy: -10.315
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: -13.727
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: 9, replica: 5
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -183.407076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.407076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.637449 (E_RNA)
where:
Base-Base interactions energy: -134.569
where: short stacking energy: -58.640
Base-Backbone interact. energy: 1.294
local terms energy: -58.362860
where:
bonds (distance) C4'-P energy: -10.563
bonds (distance) P-C4' energy: -10.647
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -7.681
tors. eta vs tors. theta energy: -15.816
Dist. restrs. and SS energy: 8.230 (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: 4
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -177.149411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.149411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.267389 (E_RNA)
where:
Base-Base interactions energy: -126.235
where: short stacking energy: -50.185
Base-Backbone interact. energy: -0.042
local terms energy: -57.990055
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -11.763
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -6.201
tors. eta vs tors. theta energy: -11.960
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: 1, replica: 6
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -225.313004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.313004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.313004 (E_RNA)
where:
Base-Base interactions energy: -166.204
where: short stacking energy: -66.154
Base-Backbone interact. energy: -0.002
local terms energy: -59.107048
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -9.392
flat angles P-C4'-P energy: -5.132
tors. eta vs tors. theta energy: -16.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -216.740437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.740437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.752808 (E_RNA)
where:
Base-Base interactions energy: -149.282
where: short stacking energy: -65.420
Base-Backbone interact. energy: -0.047
local terms energy: -67.423663
where:
bonds (distance) C4'-P energy: -11.762
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: -17.787
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: 1
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -220.344644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.344644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.515421 (E_RNA)
where:
Base-Base interactions energy: -165.305
where: short stacking energy: -67.959
Base-Backbone interact. energy: 1.949
local terms energy: -57.159364
where:
bonds (distance) C4'-P energy: -12.420
bonds (distance) P-C4' energy: -12.330
flat angles C4'-P-C4' energy: -10.271
flat angles P-C4'-P energy: -5.282
tors. eta vs tors. theta energy: -16.856
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: 4, replica: 9
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -209.378143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.378143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.378143 (E_RNA)
where:
Base-Base interactions energy: -146.167
where: short stacking energy: -57.924
Base-Backbone interact. energy: -0.064
local terms energy: -63.146790
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -12.158
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: -16.050
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -206.088347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.088347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.143399 (E_RNA)
where:
Base-Base interactions energy: -152.866
where: short stacking energy: -66.105
Base-Backbone interact. energy: -0.006
local terms energy: -53.271208
where:
bonds (distance) C4'-P energy: -9.217
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -4.246
tors. eta vs tors. theta energy: -13.057
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: 2
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -214.966369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.966369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.033546 (E_RNA)
where:
Base-Base interactions energy: -151.333
where: short stacking energy: -61.596
Base-Backbone interact. energy: -0.012
local terms energy: -63.689140
where:
bonds (distance) C4'-P energy: -9.865
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -14.194
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: 132
Temperature: 1.200000
Total energy: -204.757894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.757894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.848345 (E_RNA)
where:
Base-Base interactions energy: -145.275
where: short stacking energy: -57.168
Base-Backbone interact. energy: -0.100
local terms energy: -59.473054
where:
bonds (distance) C4'-P energy: -8.990
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -10.499
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -15.118
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: 7
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -197.319616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.319616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.319616 (E_RNA)
where:
Base-Base interactions energy: -138.774
where: short stacking energy: -53.078
Base-Backbone interact. energy: 0.105
local terms energy: -58.650853
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -12.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -176.651296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.651296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.267777 (E_RNA)
where:
Base-Base interactions energy: -129.066
where: short stacking energy: -54.995
Base-Backbone interact. energy: -0.389
local terms energy: -54.812370
where:
bonds (distance) C4'-P energy: -6.654
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -10.089
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -15.577
Dist. restrs. and SS energy: 7.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -174.634520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.634520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.238113 (E_RNA)
where:
Base-Base interactions energy: -119.485
where: short stacking energy: -47.305
Base-Backbone interact. energy: -0.295
local terms energy: -63.457847
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -12.178
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -14.267
Dist. restrs. and SS energy: 8.604 (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: 6
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -225.113094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.113094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.124185 (E_RNA)
where:
Base-Base interactions energy: -166.194
where: short stacking energy: -67.069
Base-Backbone interact. energy: -0.217
local terms energy: -58.713118
where:
bonds (distance) C4'-P energy: -9.597
bonds (distance) P-C4' energy: -10.041
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -5.108
tors. eta vs tors. theta energy: -18.279
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: 1
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -230.365356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.365356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.419778 (E_RNA)
where:
Base-Base interactions energy: -168.402
where: short stacking energy: -62.466
Base-Backbone interact. energy: -0.060
local terms energy: -61.958258
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -4.614
tors. eta vs tors. theta energy: -17.596
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: 133
Temperature: 1.000000
Total energy: -212.864298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.864298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.913993 (E_RNA)
where:
Base-Base interactions energy: -147.831
where: short stacking energy: -63.319
Base-Backbone interact. energy: -0.642
local terms energy: -64.441185
where:
bonds (distance) C4'-P energy: -10.860
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -11.816
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -17.294
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: 133
Temperature: 1.050000
Total energy: -206.235040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.235040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.430701 (E_RNA)
where:
Base-Base interactions energy: -140.756
where: short stacking energy: -58.130
Base-Backbone interact. energy: -0.749
local terms energy: -64.925002
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -7.633
tors. eta vs tors. theta energy: -14.501
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: 5, replica: 9
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -201.493782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.493782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.513221 (E_RNA)
where:
Base-Base interactions energy: -143.015
where: short stacking energy: -55.991
Base-Backbone interact. energy: -0.862
local terms energy: -57.636317
where:
bonds (distance) C4'-P energy: -6.631
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -10.304
tors. eta vs tors. theta energy: -12.602
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: 133
Temperature: 1.150000
Total energy: -207.269985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.269985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.273894 (E_RNA)
where:
Base-Base interactions energy: -151.987
where: short stacking energy: -57.568
Base-Backbone interact. energy: -0.618
local terms energy: -54.668269
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -7.753
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -11.639
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: 133
Temperature: 1.200000
Total energy: -203.195496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.195496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.199374 (E_RNA)
where:
Base-Base interactions energy: -140.867
where: short stacking energy: -56.571
Base-Backbone interact. energy: -0.011
local terms energy: -62.320888
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -13.284
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -12.450
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: 8, replica: 4
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -195.539238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.539238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.384107 (E_RNA)
where:
Base-Base interactions energy: -137.115
where: short stacking energy: -56.761
Base-Backbone interact. energy: -1.489
local terms energy: -65.779956
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -13.145
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -17.341
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: 9, replica: 7
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -200.051869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.051869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.091496 (E_RNA)
where:
Base-Base interactions energy: -136.620
where: short stacking energy: -52.359
Base-Backbone interact. energy: -0.399
local terms energy: -63.072537
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -14.391
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: 10, replica: 5
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -168.755222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.755222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.686491 (E_RNA)
where:
Base-Base interactions energy: -124.518
where: short stacking energy: -53.066
Base-Backbone interact. energy: -0.033
local terms energy: -51.134668
where:
bonds (distance) C4'-P energy: -11.090
bonds (distance) P-C4' energy: -7.711
flat angles C4'-P-C4' energy: -8.580
flat angles P-C4'-P energy: -7.233
tors. eta vs tors. theta energy: -16.521
Dist. restrs. and SS energy: 6.931 (S_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: 134
Temperature: 0.900000
Total energy: -240.784297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.784297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.786787 (E_RNA)
where:
Base-Base interactions energy: -174.110
where: short stacking energy: -71.652
Base-Backbone interact. energy: -0.108
local terms energy: -66.568973
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -7.269
tors. eta vs tors. theta energy: -19.423
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: 6
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -214.673588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.673588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.673588 (E_RNA)
where:
Base-Base interactions energy: -157.658
where: short stacking energy: -61.208
Base-Backbone interact. energy: -0.000
local terms energy: -57.015407
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -10.148
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -6.124
tors. eta vs tors. theta energy: -15.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -211.434794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.434794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.460296 (E_RNA)
where:
Base-Base interactions energy: -150.977
where: short stacking energy: -64.904
Base-Backbone interact. energy: -0.576
local terms energy: -59.907296
where:
bonds (distance) C4'-P energy: -10.423
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -12.315
flat angles P-C4'-P energy: -8.492
tors. eta vs tors. theta energy: -16.083
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: 134
Temperature: 1.050000
Total energy: -209.652822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.652822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.708964 (E_RNA)
where:
Base-Base interactions energy: -149.006
where: short stacking energy: -62.365
Base-Backbone interact. energy: -0.099
local terms energy: -60.603171
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -11.181
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -14.595
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: 8
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -205.921015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.921015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.989202 (E_RNA)
where:
Base-Base interactions energy: -140.512
where: short stacking energy: -59.139
Base-Backbone interact. energy: -0.224
local terms energy: -65.253241
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -15.178
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: 9
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -201.198503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.198503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.404018 (E_RNA)
where:
Base-Base interactions energy: -135.456
where: short stacking energy: -53.869
Base-Backbone interact. energy: -0.417
local terms energy: -65.531585
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -13.423
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: 7, replica: 4
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -180.782460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.782460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.975410 (E_RNA)
where:
Base-Base interactions energy: -133.344
where: short stacking energy: -58.951
Base-Backbone interact. energy: -0.610
local terms energy: -55.021981
where:
bonds (distance) C4'-P energy: -3.014
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -12.853
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -14.899
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: 8, replica: 2
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -196.819183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.819183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.859298 (E_RNA)
where:
Base-Base interactions energy: -138.715
where: short stacking energy: -54.766
Base-Backbone interact. energy: -0.000
local terms energy: -58.144136
where:
bonds (distance) C4'-P energy: -9.758
bonds (distance) P-C4' energy: -10.127
flat angles C4'-P-C4' energy: -10.517
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -16.234
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: 7
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -193.303800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.303800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.308318 (E_RNA)
where:
Base-Base interactions energy: -143.319
where: short stacking energy: -52.686
Base-Backbone interact. energy: -0.179
local terms energy: -49.810680
where:
bonds (distance) C4'-P energy: -10.454
bonds (distance) P-C4' energy: -11.844
flat angles C4'-P-C4' energy: -9.644
flat angles P-C4'-P energy: -6.225
tors. eta vs tors. theta energy: -11.643
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: 5
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -177.073186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.073186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.234279 (E_RNA)
where:
Base-Base interactions energy: -137.517
where: short stacking energy: -60.390
Base-Backbone interact. energy: -0.014
local terms energy: -46.702896
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -10.956
flat angles C4'-P-C4' energy: -6.630
flat angles P-C4'-P energy: -3.015
tors. eta vs tors. theta energy: -13.465
Dist. restrs. and SS energy: 7.161 (S_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: 135
Temperature: 0.900000
Total energy: -238.209065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.209065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.217341 (E_RNA)
where:
Base-Base interactions energy: -171.650
where: short stacking energy: -72.390
Base-Backbone interact. energy: -0.219
local terms energy: -66.348723
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -4.808
tors. eta vs tors. theta energy: -19.050
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: 135
Temperature: 0.950000
Total energy: -210.937446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.937446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.946500 (E_RNA)
where:
Base-Base interactions energy: -141.629
where: short stacking energy: -55.183
Base-Backbone interact. energy: -0.618
local terms energy: -68.699196
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -15.082
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: 135
Temperature: 1.000000
Total energy: -212.519586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.519586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.707678 (E_RNA)
where:
Base-Base interactions energy: -157.041
where: short stacking energy: -61.966
Base-Backbone interact. energy: -0.166
local terms energy: -55.500604
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -8.297
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -3.351
tors. eta vs tors. theta energy: -14.644
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: 3
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -209.030792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.030792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.078371 (E_RNA)
where:
Base-Base interactions energy: -148.446
where: short stacking energy: -60.562
Base-Backbone interact. energy: -0.008
local terms energy: -60.624502
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -12.078
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -15.097
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: 8
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -217.223621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.223621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.235376 (E_RNA)
where:
Base-Base interactions energy: -159.982
where: short stacking energy: -63.521
Base-Backbone interact. energy: -0.345
local terms energy: -56.908533
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -10.457
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -4.559
tors. eta vs tors. theta energy: -16.351
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: 9
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -208.902918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.902918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.940493 (E_RNA)
where:
Base-Base interactions energy: -145.126
where: short stacking energy: -55.712
Base-Backbone interact. energy: -0.086
local terms energy: -63.728499
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -10.287
tors. eta vs tors. theta energy: -16.305
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: 4
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -185.832915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.832915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.612216 (E_RNA)
where:
Base-Base interactions energy: -130.345
where: short stacking energy: -56.111
Base-Backbone interact. energy: -1.068
local terms energy: -62.200117
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -12.680
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -13.391
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: 8, replica: 7
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -203.994981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.994981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.050732 (E_RNA)
where:
Base-Base interactions energy: -145.336
where: short stacking energy: -61.481
Base-Backbone interact. energy: -0.001
local terms energy: -58.713450
where:
bonds (distance) C4'-P energy: -11.494
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -9.419
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -12.444
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: 2
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -189.368354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.368354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.463293 (E_RNA)
where:
Base-Base interactions energy: -132.946
where: short stacking energy: -53.602
Base-Backbone interact. energy: -0.097
local terms energy: -56.421186
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -6.675
tors. eta vs tors. theta energy: -10.931
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: 10, replica: 5
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -186.455729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.455729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.717169 (E_RNA)
where:
Base-Base interactions energy: -135.948
where: short stacking energy: -59.055
Base-Backbone interact. energy: -0.047
local terms energy: -57.721477
where:
bonds (distance) C4'-P energy: -10.487
bonds (distance) P-C4' energy: -8.800
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -12.877
Dist. restrs. and SS energy: 7.261 (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: 1
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -234.805464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.805464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.836171 (E_RNA)
where:
Base-Base interactions energy: -174.527
where: short stacking energy: -66.809
Base-Backbone interact. energy: -0.045
local terms energy: -60.264188
where:
bonds (distance) C4'-P energy: -10.301
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -13.151
flat angles P-C4'-P energy: -4.724
tors. eta vs tors. theta energy: -16.639
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: 136
Temperature: 0.950000
Total energy: -214.175660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.175660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.175660 (E_RNA)
where:
Base-Base interactions energy: -150.289
where: short stacking energy: -61.979
Base-Backbone interact. energy: -0.045
local terms energy: -63.841884
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -9.407
flat angles P-C4'-P energy: -11.769
tors. eta vs tors. theta energy: -15.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -215.001904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.001904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.042211 (E_RNA)
where:
Base-Base interactions energy: -157.259
where: short stacking energy: -58.330
Base-Backbone interact. energy: -0.032
local terms energy: -57.750923
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -10.983
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: 4, replica: 6
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -204.312808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.312808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.389656 (E_RNA)
where:
Base-Base interactions energy: -149.231
where: short stacking energy: -58.563
Base-Backbone interact. energy: -0.005
local terms energy: -55.154382
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -12.879
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -4.464
tors. eta vs tors. theta energy: -11.223
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: 136
Temperature: 1.100000
Total energy: -205.687946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.687946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.730392 (E_RNA)
where:
Base-Base interactions energy: -139.162
where: short stacking energy: -55.797
Base-Backbone interact. energy: -0.377
local terms energy: -66.191221
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -13.736
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: 8
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -204.097818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.097818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.214170 (E_RNA)
where:
Base-Base interactions energy: -136.056
where: short stacking energy: -54.852
Base-Backbone interact. energy: -0.001
local terms energy: -68.158026
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -15.119
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: 7
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -207.827440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.827440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.914815 (E_RNA)
where:
Base-Base interactions energy: -146.920
where: short stacking energy: -63.516
Base-Backbone interact. energy: -0.341
local terms energy: -60.653592
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -11.373
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: -17.005
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: 8, replica: 4
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -197.455178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.455178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.283520 (E_RNA)
where:
Base-Base interactions energy: -148.859
where: short stacking energy: -65.072
Base-Backbone interact. energy: 0.602
local terms energy: -57.026942
where:
bonds (distance) C4'-P energy: -9.301
bonds (distance) P-C4' energy: -11.564
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -6.357
tors. eta vs tors. theta energy: -16.963
Dist. restrs. and SS energy: 7.828 (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: 5
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -177.864813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.864813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.615945 (E_RNA)
where:
Base-Base interactions energy: -126.550
where: short stacking energy: -56.426
Base-Backbone interact. energy: -1.609
local terms energy: -57.456433
where:
bonds (distance) C4'-P energy: -11.348
bonds (distance) P-C4' energy: -11.443
flat angles C4'-P-C4' energy: -12.530
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: -13.896
Dist. restrs. and SS energy: 7.751 (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: 2
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -194.487256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.487256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.735532 (E_RNA)
where:
Base-Base interactions energy: -135.142
where: short stacking energy: -57.113
Base-Backbone interact. energy: -0.158
local terms energy: -59.435083
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -13.152
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -12.890
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: 1, replica: 1
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -235.224412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.224412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.224412 (E_RNA)
where:
Base-Base interactions energy: -177.215
where: short stacking energy: -73.144
Base-Backbone interact. energy: -0.002
local terms energy: -58.007107
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -11.737
flat angles C4'-P-C4' energy: -11.780
flat angles P-C4'-P energy: -5.003
tors. eta vs tors. theta energy: -17.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -218.189450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.189450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.223942 (E_RNA)
where:
Base-Base interactions energy: -159.199
where: short stacking energy: -61.458
Base-Backbone interact. energy: -0.468
local terms energy: -58.556858
where:
bonds (distance) C4'-P energy: -10.504
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -5.465
tors. eta vs tors. theta energy: -14.962
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: 137
Temperature: 1.000000
Total energy: -214.123077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.123077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.213878 (E_RNA)
where:
Base-Base interactions energy: -157.556
where: short stacking energy: -65.192
Base-Backbone interact. energy: 0.577
local terms energy: -57.234587
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -9.738
flat angles P-C4'-P energy: -3.788
tors. eta vs tors. theta energy: -15.001
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: 137
Temperature: 1.050000
Total energy: -208.481559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.481559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.507618 (E_RNA)
where:
Base-Base interactions energy: -146.087
where: short stacking energy: -54.766
Base-Backbone interact. energy: -0.511
local terms energy: -61.909398
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -12.193
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -14.629
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: 6
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -203.244557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.244557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.287656 (E_RNA)
where:
Base-Base interactions energy: -140.935
where: short stacking energy: -58.029
Base-Backbone interact. energy: 0.200
local terms energy: -62.552984
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -7.040
tors. eta vs tors. theta energy: -14.332
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: 8
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -202.519544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.519544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.631049 (E_RNA)
where:
Base-Base interactions energy: -136.891
where: short stacking energy: -53.423
Base-Backbone interact. energy: -0.435
local terms energy: -65.304688
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -13.379
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -12.403
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: 7
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -199.059170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.059170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.227577 (E_RNA)
where:
Base-Base interactions energy: -148.986
where: short stacking energy: -59.380
Base-Backbone interact. energy: -0.295
local terms energy: -49.946446
where:
bonds (distance) C4'-P energy: -8.770
bonds (distance) P-C4' energy: -10.321
flat angles C4'-P-C4' energy: -12.382
flat angles P-C4'-P energy: -5.988
tors. eta vs tors. theta energy: -12.487
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: 8, replica: 4
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -186.718499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.718499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.904420 (E_RNA)
where:
Base-Base interactions energy: -144.165
where: short stacking energy: -64.179
Base-Backbone interact. energy: -0.040
local terms energy: -50.699792
where:
bonds (distance) C4'-P energy: -9.475
bonds (distance) P-C4' energy: -6.110
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -14.615
Dist. restrs. and SS energy: 8.186 (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: 137
Temperature: 1.300000
Total energy: -178.213205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.213205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.213495 (E_RNA)
where:
Base-Base interactions energy: -136.062
where: short stacking energy: -61.540
Base-Backbone interact. energy: -1.728
local terms energy: -48.423810
where:
bonds (distance) C4'-P energy: -7.765
bonds (distance) P-C4' energy: -9.050
flat angles C4'-P-C4' energy: -10.812
flat angles P-C4'-P energy: -5.869
tors. eta vs tors. theta energy: -14.928
Dist. restrs. and SS energy: 8.000 (S_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: 137
Temperature: 1.350000
Total energy: -196.254456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.254456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.303762 (E_RNA)
where:
Base-Base interactions energy: -146.979
where: short stacking energy: -55.589
Base-Backbone interact. energy: 0.057
local terms energy: -49.381030
where:
bonds (distance) C4'-P energy: -10.885
bonds (distance) P-C4' energy: -12.132
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -0.451
tors. eta vs tors. theta energy: -13.696
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: 1, replica: 1
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -233.978442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.978442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.978442 (E_RNA)
where:
Base-Base interactions energy: -172.234
where: short stacking energy: -69.560
Base-Backbone interact. energy: -0.001
local terms energy: -61.742616
where:
bonds (distance) C4'-P energy: -11.130
bonds (distance) P-C4' energy: -11.968
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -4.864
tors. eta vs tors. theta energy: -19.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -221.670181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.670181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.670181 (E_RNA)
where:
Base-Base interactions energy: -159.268
where: short stacking energy: -62.498
Base-Backbone interact. energy: -0.012
local terms energy: -62.390389
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -11.910
flat angles P-C4'-P energy: -7.423
tors. eta vs tors. theta energy: -15.226
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -217.441230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.441230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.507370 (E_RNA)
where:
Base-Base interactions energy: -163.478
where: short stacking energy: -58.433
Base-Backbone interact. energy: -0.080
local terms energy: -53.949502
where:
bonds (distance) C4'-P energy: -10.578
bonds (distance) P-C4' energy: -15.556
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -1.609
tors. eta vs tors. theta energy: -12.355
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: 138
Temperature: 1.050000
Total energy: -213.772430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.772430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.772430 (E_RNA)
where:
Base-Base interactions energy: -147.333
where: short stacking energy: -59.451
Base-Backbone interact. energy: -0.001
local terms energy: -66.437980
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -11.213
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -16.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -211.074226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.074226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.122910 (E_RNA)
where:
Base-Base interactions energy: -147.777
where: short stacking energy: -62.722
Base-Backbone interact. energy: -0.662
local terms energy: -62.683766
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -7.195
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -17.625
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: 6, replica: 6
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -209.007461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.007461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.174246 (E_RNA)
where:
Base-Base interactions energy: -148.185
where: short stacking energy: -60.826
Base-Backbone interact. energy: -0.620
local terms energy: -60.369706
where:
bonds (distance) C4'-P energy: -11.887
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -3.902
tors. eta vs tors. theta energy: -16.198
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: 4
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -185.509533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.509533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.304552 (E_RNA)
where:
Base-Base interactions energy: -133.909
where: short stacking energy: -57.102
Base-Backbone interact. energy: -0.052
local terms energy: -59.344248
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -11.629
flat angles P-C4'-P energy: -7.204
tors. eta vs tors. theta energy: -13.580
Dist. restrs. and SS energy: 7.795 (S_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: 138
Temperature: 1.250000
Total energy: -199.411861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.411861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.532289 (E_RNA)
where:
Base-Base interactions energy: -141.321
where: short stacking energy: -57.329
Base-Backbone interact. energy: -0.002
local terms energy: -58.209269
where:
bonds (distance) C4'-P energy: -9.615
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -12.026
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -13.859
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: 2
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -194.524480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.524480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.640191 (E_RNA)
where:
Base-Base interactions energy: -137.494
where: short stacking energy: -55.592
Base-Backbone interact. energy: -0.078
local terms energy: -57.068761
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -14.993
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -4.833
tors. eta vs tors. theta energy: -12.160
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: 138
Temperature: 1.350000
Total energy: -169.970647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.970647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.343565 (E_RNA)
where:
Base-Base interactions energy: -126.309
where: short stacking energy: -49.979
Base-Backbone interact. energy: 0.391
local terms energy: -50.426086
where:
bonds (distance) C4'-P energy: -8.791
bonds (distance) P-C4' energy: -12.569
flat angles C4'-P-C4' energy: -8.586
flat angles P-C4'-P energy: -7.400
tors. eta vs tors. theta energy: -13.080
Dist. restrs. and SS energy: 6.373 (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: 139
Temperature: 0.900000
Total energy: -238.662682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.662682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.662682 (E_RNA)
where:
Base-Base interactions energy: -176.502
where: short stacking energy: -69.473
Base-Backbone interact. energy: -0.000
local terms energy: -62.160118
where:
bonds (distance) C4'-P energy: -12.913
bonds (distance) P-C4' energy: -10.912
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -5.818
tors. eta vs tors. theta energy: -17.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -227.032427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.032427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.101010 (E_RNA)
where:
Base-Base interactions energy: -167.735
where: short stacking energy: -69.024
Base-Backbone interact. energy: -0.285
local terms energy: -59.080686
where:
bonds (distance) C4'-P energy: -11.626
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -2.590
tors. eta vs tors. theta energy: -14.799
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: 9
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -211.802269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.802269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.823918 (E_RNA)
where:
Base-Base interactions energy: -147.989
where: short stacking energy: -64.654
Base-Backbone interact. energy: -0.238
local terms energy: -63.596705
where:
bonds (distance) C4'-P energy: -8.600
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -10.235
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -18.904
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: 8
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -208.582001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.582001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.652870 (E_RNA)
where:
Base-Base interactions energy: -148.608
where: short stacking energy: -61.816
Base-Backbone interact. energy: -0.053
local terms energy: -59.991008
where:
bonds (distance) C4'-P energy: -9.440
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -7.083
tors. eta vs tors. theta energy: -16.196
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: 5, replica: 10
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -204.385948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.385948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.479634 (E_RNA)
where:
Base-Base interactions energy: -144.661
where: short stacking energy: -58.404
Base-Backbone interact. energy: -0.507
local terms energy: -59.311243
where:
bonds (distance) C4'-P energy: -8.400
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -14.050
flat angles P-C4'-P energy: -7.328
tors. eta vs tors. theta energy: -14.483
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: 6
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -206.633446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.633446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.923448 (E_RNA)
where:
Base-Base interactions energy: -144.394
where: short stacking energy: -58.676
Base-Backbone interact. energy: -0.082
local terms energy: -62.447348
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -15.269
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -7.174
tors. eta vs tors. theta energy: -15.005
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: 4
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -185.916144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.916144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.959195 (E_RNA)
where:
Base-Base interactions energy: -134.509
where: short stacking energy: -56.507
Base-Backbone interact. energy: -0.897
local terms energy: -59.552532
where:
bonds (distance) C4'-P energy: -11.114
bonds (distance) P-C4' energy: -11.475
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -14.721
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: 8, replica: 7
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -191.767931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.767931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.767931 (E_RNA)
where:
Base-Base interactions energy: -134.799
where: short stacking energy: -55.254
Base-Backbone interact. energy: -0.182
local terms energy: -56.787086
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -7.885
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: -13.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -196.829963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.829963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.997110 (E_RNA)
where:
Base-Base interactions energy: -139.917
where: short stacking energy: -51.082
Base-Backbone interact. energy: -0.011
local terms energy: -57.069434
where:
bonds (distance) C4'-P energy: -9.813
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -11.033
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -12.367
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: 139
Temperature: 1.350000
Total energy: -182.094185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.094185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.434613 (E_RNA)
where:
Base-Base interactions energy: -143.012
where: short stacking energy: -55.387
Base-Backbone interact. energy: -0.250
local terms energy: -46.173155
where:
bonds (distance) C4'-P energy: -6.413
bonds (distance) P-C4' energy: -8.241
flat angles C4'-P-C4' energy: -9.098
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: -14.705
Dist. restrs. and SS energy: 7.340 (S_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: 140
Temperature: 0.900000
Total energy: -238.353457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.353457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.353457 (E_RNA)
where:
Base-Base interactions energy: -170.822
where: short stacking energy: -70.366
Base-Backbone interact. energy: -0.064
local terms energy: -67.467898
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -4.867
tors. eta vs tors. theta energy: -18.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -226.199212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.199212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.199212 (E_RNA)
where:
Base-Base interactions energy: -165.296
where: short stacking energy: -67.994
Base-Backbone interact. energy: -0.006
local terms energy: -60.897211
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -4.414
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: 3, replica: 9
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -220.303109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.303109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.398661 (E_RNA)
where:
Base-Base interactions energy: -153.164
where: short stacking energy: -64.300
Base-Backbone interact. energy: -0.191
local terms energy: -67.044380
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -10.986
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -18.458
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: 8
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -214.092077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.092077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.162160 (E_RNA)
where:
Base-Base interactions energy: -146.450
where: short stacking energy: -63.359
Base-Backbone interact. energy: -0.219
local terms energy: -67.493274
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -10.318
tors. eta vs tors. theta energy: -19.796
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: -199.352236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.352236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.357622 (E_RNA)
where:
Base-Base interactions energy: -142.410
where: short stacking energy: -58.580
Base-Backbone interact. energy: -0.023
local terms energy: -56.924646
where:
bonds (distance) C4'-P energy: -9.515
bonds (distance) P-C4' energy: -14.753
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -7.511
tors. eta vs tors. theta energy: -12.242
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: 10
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -210.647377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.647377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.843944 (E_RNA)
where:
Base-Base interactions energy: -148.829
where: short stacking energy: -60.021
Base-Backbone interact. energy: -0.100
local terms energy: -61.914347
where:
bonds (distance) C4'-P energy: -10.020
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -11.004
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -13.825
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: 140
Temperature: 1.200000
Total energy: -210.980881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.980881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.039590 (E_RNA)
where:
Base-Base interactions energy: -148.283
where: short stacking energy: -63.001
Base-Backbone interact. energy: -0.003
local terms energy: -62.754163
where:
bonds (distance) C4'-P energy: -10.097
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -11.951
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -17.652
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: 4
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -176.630653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.630653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.764122 (E_RNA)
where:
Base-Base interactions energy: -127.804
where: short stacking energy: -53.760
Base-Backbone interact. energy: -0.399
local terms energy: -56.561316
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -11.871
flat angles C4'-P-C4' energy: -10.698
flat angles P-C4'-P energy: -5.305
tors. eta vs tors. theta energy: -14.669
Dist. restrs. and SS energy: 8.133 (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: 2
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -200.160919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.160919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.173624 (E_RNA)
where:
Base-Base interactions energy: -139.536
where: short stacking energy: -56.638
Base-Backbone interact. energy: -0.070
local terms energy: -60.568256
where:
bonds (distance) C4'-P energy: -11.124
bonds (distance) P-C4' energy: -12.706
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -8.469
tors. eta vs tors. theta energy: -15.499
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: 5
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -176.891259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.891259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.453100 (E_RNA)
where:
Base-Base interactions energy: -124.588
where: short stacking energy: -47.994
Base-Backbone interact. energy: -1.095
local terms energy: -57.769888
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -5.560
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -12.800
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: 1, replica: 1
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -236.952166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.952166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.966083 (E_RNA)
where:
Base-Base interactions energy: -169.443
where: short stacking energy: -65.864
Base-Backbone interact. energy: -0.208
local terms energy: -67.315400
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -11.880
flat angles P-C4'-P energy: -6.549
tors. eta vs tors. theta energy: -18.340
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: 141
Temperature: 0.950000
Total energy: -225.516545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.516545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.551123 (E_RNA)
where:
Base-Base interactions energy: -162.504
where: short stacking energy: -67.230
Base-Backbone interact. energy: -0.001
local terms energy: -63.046863
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -11.990
flat angles P-C4'-P energy: -5.852
tors. eta vs tors. theta energy: -16.992
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: 3
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -220.926299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.926299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.934160 (E_RNA)
where:
Base-Base interactions energy: -166.075
where: short stacking energy: -62.466
Base-Backbone interact. energy: -0.006
local terms energy: -54.853107
where:
bonds (distance) C4'-P energy: -10.529
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -2.791
tors. eta vs tors. theta energy: -15.128
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: 6
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -205.904408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.904408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.917676 (E_RNA)
where:
Base-Base interactions energy: -142.644
where: short stacking energy: -57.257
Base-Backbone interact. energy: -0.014
local terms energy: -63.259470
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -11.823
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -8.583
tors. eta vs tors. theta energy: -14.369
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: 8
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -206.032640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.032640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.058972 (E_RNA)
where:
Base-Base interactions energy: -148.720
where: short stacking energy: -58.952
Base-Backbone interact. energy: -0.043
local terms energy: -57.296290
where:
bonds (distance) C4'-P energy: -10.608
bonds (distance) P-C4' energy: -12.411
flat angles C4'-P-C4' energy: -10.054
flat angles P-C4'-P energy: -7.457
tors. eta vs tors. theta energy: -16.766
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: 7
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -209.581271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.581271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.670803 (E_RNA)
where:
Base-Base interactions energy: -155.974
where: short stacking energy: -61.350
Base-Backbone interact. energy: -0.296
local terms energy: -53.400121
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -10.634
flat angles P-C4'-P energy: -4.619
tors. eta vs tors. theta energy: -10.961
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: 7, replica: 10
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -201.075724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.075724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.087359 (E_RNA)
where:
Base-Base interactions energy: -138.694
where: short stacking energy: -51.021
Base-Backbone interact. energy: -0.007
local terms energy: -62.386822
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -6.299
tors. eta vs tors. theta energy: -15.732
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: 2
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -204.961472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.961472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.974222 (E_RNA)
where:
Base-Base interactions energy: -148.231
where: short stacking energy: -64.422
Base-Backbone interact. energy: -0.044
local terms energy: -56.698562
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -9.808
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -6.764
tors. eta vs tors. theta energy: -14.992
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: 4
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -172.947229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.947229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.243523 (E_RNA)
where:
Base-Base interactions energy: -124.134
where: short stacking energy: -53.194
Base-Backbone interact. energy: -0.121
local terms energy: -54.988410
where:
bonds (distance) C4'-P energy: -9.978
bonds (distance) P-C4' energy: -8.923
flat angles C4'-P-C4' energy: -10.502
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -14.659
Dist. restrs. and SS energy: 6.296 (S_DIST_RNA)
chem. 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: -171.367673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.367673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.438059 (E_RNA)
where:
Base-Base interactions energy: -119.340
where: short stacking energy: -45.288
Base-Backbone interact. energy: -0.301
local terms energy: -59.796846
where:
bonds (distance) C4'-P energy: -12.036
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: -12.628
Dist. restrs. and SS energy: 8.070 (S_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: 142
Temperature: 0.900000
Total energy: -236.465407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.465407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.523285 (E_RNA)
where:
Base-Base interactions energy: -171.106
where: short stacking energy: -62.129
Base-Backbone interact. energy: -0.745
local terms energy: -64.672881
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -4.663
tors. eta vs tors. theta energy: -17.990
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: 9
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -219.905420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.905420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.945691 (E_RNA)
where:
Base-Base interactions energy: -154.869
where: short stacking energy: -59.417
Base-Backbone interact. energy: -0.002
local terms energy: -65.075140
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -17.275
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: -214.522025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.522025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.522025 (E_RNA)
where:
Base-Base interactions energy: -149.055
where: short stacking energy: -57.833
Base-Backbone interact. energy: -0.244
local terms energy: -65.222544
where:
bonds (distance) C4'-P energy: -8.282
bonds (distance) P-C4' energy: -13.040
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -11.960
tors. eta vs tors. theta energy: -17.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -221.850170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.850170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.864631 (E_RNA)
where:
Base-Base interactions energy: -165.450
where: short stacking energy: -66.764
Base-Backbone interact. energy: -0.022
local terms energy: -56.392180
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -4.165
tors. eta vs tors. theta energy: -14.555
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: 7
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -207.950266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.950266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.950266 (E_RNA)
where:
Base-Base interactions energy: -147.368
where: short stacking energy: -62.025
Base-Backbone interact. energy: -0.002
local terms energy: -60.580246
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -11.215
flat angles P-C4'-P energy: -7.200
tors. eta vs tors. theta energy: -18.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -211.438575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.438575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.439914 (E_RNA)
where:
Base-Base interactions energy: -150.282
where: short stacking energy: -66.749
Base-Backbone interact. energy: -0.000
local terms energy: -61.157631
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -10.848
flat angles C4'-P-C4' energy: -12.215
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -17.239
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: 2
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -199.381175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.381175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.529837 (E_RNA)
where:
Base-Base interactions energy: -139.328
where: short stacking energy: -57.055
Base-Backbone interact. energy: 0.159
local terms energy: -60.361056
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -11.944
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -14.298
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: 142
Temperature: 1.250000
Total energy: -191.093599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.093599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.165908 (E_RNA)
where:
Base-Base interactions energy: -135.788
where: short stacking energy: -52.856
Base-Backbone interact. energy: -0.065
local terms energy: -55.312988
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -15.249
flat angles C4'-P-C4' energy: -9.519
flat angles P-C4'-P energy: -4.384
tors. eta vs tors. theta energy: -11.703
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: 5
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -172.012746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.012746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.458212 (E_RNA)
where:
Base-Base interactions energy: -119.944
where: short stacking energy: -50.910
Base-Backbone interact. energy: -0.002
local terms energy: -59.511915
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -11.875
flat angles P-C4'-P energy: -7.744
tors. eta vs tors. theta energy: -13.807
Dist. restrs. and SS energy: 7.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -167.926462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.926462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.464856 (E_RNA)
where:
Base-Base interactions energy: -123.374
where: short stacking energy: -50.348
Base-Backbone interact. energy: 1.473
local terms energy: -54.563498
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -6.936
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -11.723
Dist. restrs. and SS energy: 8.538 (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: 1
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -236.186684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.186684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.212655 (E_RNA)
where:
Base-Base interactions energy: -170.703
where: short stacking energy: -69.042
Base-Backbone interact. energy: -0.095
local terms energy: -65.414178
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -6.232
tors. eta vs tors. theta energy: -17.947
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: 6
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -218.417182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.417182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.479165 (E_RNA)
where:
Base-Base interactions energy: -146.837
where: short stacking energy: -63.368
Base-Backbone interact. energy: -0.003
local terms energy: -71.639676
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -12.544
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -19.296
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: 9
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -218.762855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.762855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.781177 (E_RNA)
where:
Base-Base interactions energy: -158.163
where: short stacking energy: -61.342
Base-Backbone interact. energy: -0.092
local terms energy: -60.526436
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -8.983
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -14.751
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: 4, replica: 7
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -217.960292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.960292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.985608 (E_RNA)
where:
Base-Base interactions energy: -149.319
where: short stacking energy: -65.058
Base-Backbone interact. energy: -0.001
local terms energy: -68.665282
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -16.100
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: 143
Temperature: 1.100000
Total energy: -219.898805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.898805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.949561 (E_RNA)
where:
Base-Base interactions energy: -160.217
where: short stacking energy: -64.483
Base-Backbone interact. energy: -0.203
local terms energy: -59.528973
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -10.011
flat angles P-C4'-P energy: -6.614
tors. eta vs tors. theta energy: -16.716
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: 143
Temperature: 1.150000
Total energy: -206.558377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.558377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.687639 (E_RNA)
where:
Base-Base interactions energy: -144.333
where: short stacking energy: -59.993
Base-Backbone interact. energy: -0.049
local terms energy: -62.305498
where:
bonds (distance) C4'-P energy: -10.897
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: -15.988
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: 8
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -197.399604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.399604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.399604 (E_RNA)
where:
Base-Base interactions energy: -140.207
where: short stacking energy: -57.092
Base-Backbone interact. energy: -0.001
local terms energy: -57.191119
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -4.962
tors. eta vs tors. theta energy: -13.155
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -179.830727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.830727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.120661 (E_RNA)
where:
Base-Base interactions energy: -123.861
where: short stacking energy: -54.553
Base-Backbone interact. energy: -0.614
local terms energy: -64.646225
where:
bonds (distance) C4'-P energy: -11.485
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -13.824
Dist. restrs. and SS energy: 9.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -199.978309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.978309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.019779 (E_RNA)
where:
Base-Base interactions energy: -139.989
where: short stacking energy: -55.235
Base-Backbone interact. energy: -0.067
local terms energy: -59.963792
where:
bonds (distance) C4'-P energy: -11.580
bonds (distance) P-C4' energy: -16.264
flat angles C4'-P-C4' energy: -11.242
flat angles P-C4'-P energy: -7.282
tors. eta vs tors. theta energy: -13.595
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: 10, replica: 4
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -169.191407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.191407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.137335 (E_RNA)
where:
Base-Base interactions energy: -118.530
where: short stacking energy: -47.874
Base-Backbone interact. energy: -0.314
local terms energy: -58.293311
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -12.067
flat angles P-C4'-P energy: -8.373
tors. eta vs tors. theta energy: -10.074
Dist. restrs. and SS energy: 7.946 (S_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: 144
Temperature: 0.900000
Total energy: -237.794290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.794290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.794290 (E_RNA)
where:
Base-Base interactions energy: -174.238
where: short stacking energy: -71.148
Base-Backbone interact. energy: -0.337
local terms energy: -63.218556
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -4.890
tors. eta vs tors. theta energy: -18.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -220.737595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.737595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.940877 (E_RNA)
where:
Base-Base interactions energy: -155.743
where: short stacking energy: -68.693
Base-Backbone interact. energy: -0.020
local terms energy: -65.177306
where:
bonds (distance) C4'-P energy: -10.799
bonds (distance) P-C4' energy: -11.808
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -16.884
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: 7
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -213.442481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.442481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.442481 (E_RNA)
where:
Base-Base interactions energy: -155.631
where: short stacking energy: -62.814
Base-Backbone interact. energy: -0.000
local terms energy: -57.811604
where:
bonds (distance) C4'-P energy: -9.612
bonds (distance) P-C4' energy: -12.143
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -13.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -228.291638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.291638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.291638 (E_RNA)
where:
Base-Base interactions energy: -168.772
where: short stacking energy: -66.004
Base-Backbone interact. energy: -0.051
local terms energy: -59.468899
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -12.499
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -3.505
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: 5, replica: 2
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -207.758332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.758332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.124980 (E_RNA)
where:
Base-Base interactions energy: -153.073
where: short stacking energy: -61.382
Base-Backbone interact. energy: -0.015
local terms energy: -55.037289
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -11.570
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -1.163
tors. eta vs tors. theta energy: -15.096
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: 6, replica: 3
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -201.923509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.923509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.032496 (E_RNA)
where:
Base-Base interactions energy: -139.403
where: short stacking energy: -53.744
Base-Backbone interact. energy: -0.037
local terms energy: -62.592253
where:
bonds (distance) C4'-P energy: -13.033
bonds (distance) P-C4' energy: -9.280
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -12.541
tors. eta vs tors. theta energy: -14.971
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: 8
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -202.975030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.975030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.022802 (E_RNA)
where:
Base-Base interactions energy: -148.875
where: short stacking energy: -65.110
Base-Backbone interact. energy: -0.010
local terms energy: -54.137217
where:
bonds (distance) C4'-P energy: -8.415
bonds (distance) P-C4' energy: -11.713
flat angles C4'-P-C4' energy: -11.017
flat angles P-C4'-P energy: -5.985
tors. eta vs tors. theta energy: -17.007
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: 8, replica: 5
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -186.141496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.141496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.659661 (E_RNA)
where:
Base-Base interactions energy: -137.966
where: short stacking energy: -54.383
Base-Backbone interact. energy: -0.019
local terms energy: -55.675116
where:
bonds (distance) C4'-P energy: -7.554
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -10.065
flat angles P-C4'-P energy: -6.625
tors. eta vs tors. theta energy: -17.915
Dist. restrs. and SS energy: 7.518 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -180.895252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.895252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.458365 (E_RNA)
where:
Base-Base interactions energy: -129.088
where: short stacking energy: -53.267
Base-Backbone interact. energy: 0.899
local terms energy: -59.269280
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -13.422
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: -12.024
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: 10, replica: 10
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -189.833944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.833944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.879556 (E_RNA)
where:
Base-Base interactions energy: -132.358
where: short stacking energy: -54.643
Base-Backbone interact. energy: -0.563
local terms energy: -56.959113
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -10.115
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -12.375
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: 1
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -217.664947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.664947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.733379 (E_RNA)
where:
Base-Base interactions energy: -163.350
where: short stacking energy: -61.703
Base-Backbone interact. energy: -0.162
local terms energy: -54.220616
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -9.671
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -2.744
tors. eta vs tors. theta energy: -16.220
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: 7
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -215.343037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.343037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.386431 (E_RNA)
where:
Base-Base interactions energy: -155.290
where: short stacking energy: -61.115
Base-Backbone interact. energy: -0.020
local terms energy: -60.077227
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -11.666
flat angles P-C4'-P energy: -4.903
tors. eta vs tors. theta energy: -16.972
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: 6
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -214.502555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.502555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.556620 (E_RNA)
where:
Base-Base interactions energy: -151.619
where: short stacking energy: -63.518
Base-Backbone interact. energy: -0.003
local terms energy: -62.934261
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -15.554
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: 2
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -222.849866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.849866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.902102 (E_RNA)
where:
Base-Base interactions energy: -161.942
where: short stacking energy: -64.227
Base-Backbone interact. energy: -0.001
local terms energy: -60.959731
where:
bonds (distance) C4'-P energy: -9.626
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -7.368
tors. eta vs tors. theta energy: -15.657
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: 9
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -210.944868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.944868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.990689 (E_RNA)
where:
Base-Base interactions energy: -155.254
where: short stacking energy: -58.122
Base-Backbone interact. energy: -0.080
local terms energy: -55.657469
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -2.246
tors. eta vs tors. theta energy: -15.028
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: 8
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -209.615138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.615138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.647962 (E_RNA)
where:
Base-Base interactions energy: -143.069
where: short stacking energy: -58.165
Base-Backbone interact. energy: -0.165
local terms energy: -66.413457
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -14.649
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -16.222
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: 7, replica: 3
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -206.008779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.008779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.008779 (E_RNA)
where:
Base-Base interactions energy: -145.512
where: short stacking energy: -59.399
Base-Backbone interact. energy: -0.092
local terms energy: -60.405331
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -9.200
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -15.230
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -191.189903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.189903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.870934 (E_RNA)
where:
Base-Base interactions energy: -135.836
where: short stacking energy: -61.160
Base-Backbone interact. energy: 0.343
local terms energy: -64.378168
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -10.488
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -15.994
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: 9, replica: 5
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -181.370690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.370690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.321426 (E_RNA)
where:
Base-Base interactions energy: -130.767
where: short stacking energy: -54.071
Base-Backbone interact. energy: -0.018
local terms energy: -58.536394
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -9.028
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: -12.692
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: 10, replica: 10
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -194.587881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.587881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.598396 (E_RNA)
where:
Base-Base interactions energy: -143.325
where: short stacking energy: -54.091
Base-Backbone interact. energy: 0.111
local terms energy: -51.384602
where:
bonds (distance) C4'-P energy: -8.173
bonds (distance) P-C4' energy: -12.668
flat angles C4'-P-C4' energy: -9.298
flat angles P-C4'-P energy: -8.461
tors. eta vs tors. theta energy: -12.785
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: 1, replica: 1
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -224.683143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.683143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.683143 (E_RNA)
where:
Base-Base interactions energy: -166.199
where: short stacking energy: -67.008
Base-Backbone interact. energy: -0.008
local terms energy: -58.475570
where:
bonds (distance) C4'-P energy: -9.130
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -3.155
tors. eta vs tors. theta energy: -18.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -215.433368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.433368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.458115 (E_RNA)
where:
Base-Base interactions energy: -153.292
where: short stacking energy: -60.902
Base-Backbone interact. energy: -0.001
local terms energy: -62.164915
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -11.606
flat angles C4'-P-C4' energy: -14.112
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -16.091
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: 6
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -216.853999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.853999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.854630 (E_RNA)
where:
Base-Base interactions energy: -157.255
where: short stacking energy: -63.133
Base-Backbone interact. energy: -0.184
local terms energy: -59.415578
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -9.722
flat angles P-C4'-P energy: -6.470
tors. eta vs tors. theta energy: -15.525
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: 146
Temperature: 1.050000
Total energy: -224.297259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.297259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.300820 (E_RNA)
where:
Base-Base interactions energy: -162.198
where: short stacking energy: -63.293
Base-Backbone interact. energy: -0.497
local terms energy: -61.605352
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -12.314
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -5.593
tors. eta vs tors. theta energy: -16.824
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: 146
Temperature: 1.100000
Total energy: -212.324657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.324657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.332965 (E_RNA)
where:
Base-Base interactions energy: -148.904
where: short stacking energy: -57.880
Base-Backbone interact. energy: -0.102
local terms energy: -63.326593
where:
bonds (distance) C4'-P energy: -13.239
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -12.878
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -14.568
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: 146
Temperature: 1.150000
Total energy: -198.442301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.442301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.516502 (E_RNA)
where:
Base-Base interactions energy: -139.295
where: short stacking energy: -57.150
Base-Backbone interact. energy: -0.347
local terms energy: -58.873911
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -10.751
flat angles C4'-P-C4' energy: -8.702
flat angles P-C4'-P energy: -12.630
tors. eta vs tors. theta energy: -15.447
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: 146
Temperature: 1.200000
Total energy: -189.003038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.003038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.781591 (E_RNA)
where:
Base-Base interactions energy: -135.101
where: short stacking energy: -59.662
Base-Backbone interact. energy: -0.000
local terms energy: -64.680238
where:
bonds (distance) C4'-P energy: -8.616
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -15.261
Dist. restrs. and SS energy: 10.779 (S_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: -204.187161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.187161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.336998 (E_RNA)
where:
Base-Base interactions energy: -142.496
where: short stacking energy: -58.030
Base-Backbone interact. energy: -0.001
local terms energy: -61.839827
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -9.845
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -15.579
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: 10
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -193.177067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.177067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.284343 (E_RNA)
where:
Base-Base interactions energy: -132.236
where: short stacking energy: -49.246
Base-Backbone interact. energy: -0.015
local terms energy: -61.033855
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -12.116
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -6.965
tors. eta vs tors. theta energy: -15.628
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: 5
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -170.170636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.170636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.588295 (E_RNA)
where:
Base-Base interactions energy: -112.483
where: short stacking energy: -49.791
Base-Backbone interact. energy: -0.333
local terms energy: -65.772491
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -12.146
tors. eta vs tors. theta energy: -12.003
Dist. restrs. and SS energy: 8.418 (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: 1
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -223.035143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.035143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.060473 (E_RNA)
where:
Base-Base interactions energy: -169.437
where: short stacking energy: -69.135
Base-Backbone interact. energy: -0.285
local terms energy: -53.338396
where:
bonds (distance) C4'-P energy: -7.833
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -2.395
tors. eta vs tors. theta energy: -15.678
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: 2, replica: 6
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -214.246909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.246909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.307899 (E_RNA)
where:
Base-Base interactions energy: -152.727
where: short stacking energy: -63.809
Base-Backbone interact. energy: -0.002
local terms energy: -61.578845
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -13.196
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -14.231
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: 7
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -229.230208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.230208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.263079 (E_RNA)
where:
Base-Base interactions energy: -165.710
where: short stacking energy: -65.328
Base-Backbone interact. energy: -0.189
local terms energy: -63.364358
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -2.215
tors. eta vs tors. theta energy: -19.031
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: 8
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -212.095114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.095114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.311905 (E_RNA)
where:
Base-Base interactions energy: -145.733
where: short stacking energy: -58.402
Base-Backbone interact. energy: -0.123
local terms energy: -66.456120
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -17.474
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: 2
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -222.320135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.320135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.320135 (E_RNA)
where:
Base-Base interactions energy: -162.949
where: short stacking energy: -63.071
Base-Backbone interact. energy: -0.649
local terms energy: -58.721216
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -3.934
tors. eta vs tors. theta energy: -16.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -212.880731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.880731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.934075 (E_RNA)
where:
Base-Base interactions energy: -151.433
where: short stacking energy: -64.706
Base-Backbone interact. energy: 0.450
local terms energy: -61.951529
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -11.385
flat angles P-C4'-P energy: -7.707
tors. eta vs tors. theta energy: -17.783
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: 4
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -179.219533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.219533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.875759 (E_RNA)
where:
Base-Base interactions energy: -136.261
where: short stacking energy: -56.300
Base-Backbone interact. energy: -0.914
local terms energy: -49.700564
where:
bonds (distance) C4'-P energy: -7.992
bonds (distance) P-C4' energy: -10.638
flat angles C4'-P-C4' energy: -9.568
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: -13.839
Dist. restrs. and SS energy: 7.656 (S_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: 147
Temperature: 1.250000
Total energy: -197.680901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.680901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.681247 (E_RNA)
where:
Base-Base interactions energy: -137.781
where: short stacking energy: -52.401
Base-Backbone interact. energy: -0.134
local terms energy: -59.766860
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -11.317
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -11.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -191.110123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.110123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.162431 (E_RNA)
where:
Base-Base interactions energy: -137.384
where: short stacking energy: -53.820
Base-Backbone interact. energy: -0.005
local terms energy: -53.773386
where:
bonds (distance) C4'-P energy: -8.824
bonds (distance) P-C4' energy: -10.043
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -13.469
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: 10, replica: 5
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -171.093073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.093073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.289650 (E_RNA)
where:
Base-Base interactions energy: -122.305
where: short stacking energy: -49.587
Base-Backbone interact. energy: -0.007
local terms energy: -56.977986
where:
bonds (distance) C4'-P energy: -8.112
bonds (distance) P-C4' energy: -10.374
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -8.254
tors. eta vs tors. theta energy: -15.753
Dist. restrs. and SS energy: 8.197 (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: 1
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -222.074481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.074481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.095696 (E_RNA)
where:
Base-Base interactions energy: -160.045
where: short stacking energy: -67.214
Base-Backbone interact. energy: -0.012
local terms energy: -62.038896
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -7.109
tors. eta vs tors. theta energy: -14.609
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: 6
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -214.424507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.424507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.538304 (E_RNA)
where:
Base-Base interactions energy: -155.589
where: short stacking energy: -60.445
Base-Backbone interact. energy: -0.272
local terms energy: -58.677036
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -9.583
flat angles P-C4'-P energy: -3.924
tors. eta vs tors. theta energy: -15.925
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: 8
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -208.186334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.186334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.256985 (E_RNA)
where:
Base-Base interactions energy: -142.434
where: short stacking energy: -59.292
Base-Backbone interact. energy: -0.126
local terms energy: -65.697031
where:
bonds (distance) C4'-P energy: -8.402
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -12.231
tors. eta vs tors. theta energy: -16.764
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: 148
Temperature: 1.050000
Total energy: -208.198822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.198822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.296307 (E_RNA)
where:
Base-Base interactions energy: -144.488
where: short stacking energy: -62.578
Base-Backbone interact. energy: -0.337
local terms energy: -63.471239
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -8.038
tors. eta vs tors. theta energy: -15.346
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: 5, replica: 2
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -224.532581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.532581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.535391 (E_RNA)
where:
Base-Base interactions energy: -168.476
where: short stacking energy: -66.412
Base-Backbone interact. energy: -0.583
local terms energy: -55.476546
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -11.616
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -3.083
tors. eta vs tors. theta energy: -15.406
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: 148
Temperature: 1.150000
Total energy: -204.967541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.967541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.984825 (E_RNA)
where:
Base-Base interactions energy: -139.911
where: short stacking energy: -56.787
Base-Backbone interact. energy: -0.046
local terms energy: -65.028222
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -12.189
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -6.671
tors. eta vs tors. theta energy: -18.876
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: 148
Temperature: 1.200000
Total energy: -202.854026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.854026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.903521 (E_RNA)
where:
Base-Base interactions energy: -142.827
where: short stacking energy: -59.935
Base-Backbone interact. energy: -0.000
local terms energy: -60.076510
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -9.916
flat angles C4'-P-C4' energy: -10.099
flat angles P-C4'-P energy: -8.688
tors. eta vs tors. theta energy: -16.700
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: 148
Temperature: 1.250000
Total energy: -186.859894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.859894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.323118 (E_RNA)
where:
Base-Base interactions energy: -133.673
where: short stacking energy: -60.212
Base-Backbone interact. energy: -0.095
local terms energy: -61.555763
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -10.739
flat angles P-C4'-P energy: -5.912
tors. eta vs tors. theta energy: -17.708
Dist. restrs. and SS energy: 8.463 (S_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: -196.926176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.926176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.926176 (E_RNA)
where:
Base-Base interactions energy: -140.767
where: short stacking energy: -52.730
Base-Backbone interact. energy: -0.050
local terms energy: -56.109031
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -11.431
flat angles C4'-P-C4' energy: -7.371
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -11.465
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -178.731035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.731035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.165540 (E_RNA)
where:
Base-Base interactions energy: -127.293
where: short stacking energy: -49.338
Base-Backbone interact. energy: -1.644
local terms energy: -58.228449
where:
bonds (distance) C4'-P energy: -9.221
bonds (distance) P-C4' energy: -10.749
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -15.518
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: 1, replica: 1
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -222.721530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.721530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.779236 (E_RNA)
where:
Base-Base interactions energy: -154.132
where: short stacking energy: -65.997
Base-Backbone interact. energy: -0.003
local terms energy: -68.643974
where:
bonds (distance) C4'-P energy: -9.433
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -19.122
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: 8
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -214.975219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.975219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.015366 (E_RNA)
where:
Base-Base interactions energy: -155.618
where: short stacking energy: -61.319
Base-Backbone interact. energy: -0.042
local terms energy: -59.355844
where:
bonds (distance) C4'-P energy: -9.619
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -7.717
tors. eta vs tors. theta energy: -13.720
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: 149
Temperature: 1.000000
Total energy: -221.025468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.025468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.031043 (E_RNA)
where:
Base-Base interactions energy: -164.071
where: short stacking energy: -63.293
Base-Backbone interact. energy: -0.117
local terms energy: -56.843089
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -11.337
flat angles C4'-P-C4' energy: -11.746
flat angles P-C4'-P energy: -5.316
tors. eta vs tors. theta energy: -15.140
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: 149
Temperature: 1.050000
Total energy: -213.201109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.201109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.261500 (E_RNA)
where:
Base-Base interactions energy: -145.926
where: short stacking energy: -62.187
Base-Backbone interact. energy: -0.303
local terms energy: -67.032388
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -16.153
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: 149
Temperature: 1.100000
Total energy: -203.733776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.733776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.128219 (E_RNA)
where:
Base-Base interactions energy: -139.865
where: short stacking energy: -59.758
Base-Backbone interact. energy: -0.005
local terms energy: -64.258545
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -9.944
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -17.782
Dist. restrs. and SS energy: 0.394 (S_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: 149
Temperature: 1.150000
Total energy: -207.965802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.965802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.966189 (E_RNA)
where:
Base-Base interactions energy: -148.964
where: short stacking energy: -62.915
Base-Backbone interact. energy: -0.082
local terms energy: -58.920409
where:
bonds (distance) C4'-P energy: -10.399
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -10.463
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -13.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -206.572899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.572899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.608635 (E_RNA)
where:
Base-Base interactions energy: -136.421
where: short stacking energy: -51.309
Base-Backbone interact. energy: 1.337
local terms energy: -71.524474
where:
bonds (distance) C4'-P energy: -10.942
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -17.799
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: 3
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -201.951661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.951661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.394694 (E_RNA)
where:
Base-Base interactions energy: -134.377
where: short stacking energy: -58.749
Base-Backbone interact. energy: -0.238
local terms energy: -67.779573
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -16.327
Dist. restrs. and SS energy: 0.443 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -181.234592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.234592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.858999 (E_RNA)
where:
Base-Base interactions energy: -131.731
where: short stacking energy: -50.591
Base-Backbone interact. energy: -0.122
local terms energy: -56.005490
where:
bonds (distance) C4'-P energy: -8.108
bonds (distance) P-C4' energy: -9.389
flat angles C4'-P-C4' energy: -12.642
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: -15.582
Dist. restrs. and SS energy: 6.624 (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: 149
Temperature: 1.350000
Total energy: -165.974437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.974437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.810445 (E_RNA)
where:
Base-Base interactions energy: -133.710
where: short stacking energy: -52.782
Base-Backbone interact. energy: 1.186
local terms energy: -40.287056
where:
bonds (distance) C4'-P energy: -7.206
bonds (distance) P-C4' energy: -8.786
flat angles C4'-P-C4' energy: -9.738
flat angles P-C4'-P energy: -1.534
tors. eta vs tors. theta energy: -13.022
Dist. restrs. and SS energy: 6.836 (S_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: 150
Temperature: 0.900000
Total energy: -213.859048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.859048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.910671 (E_RNA)
where:
Base-Base interactions energy: -149.516
where: short stacking energy: -65.886
Base-Backbone interact. energy: -0.002
local terms energy: -64.392811
where:
bonds (distance) C4'-P energy: -9.784
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -16.226
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: 8
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -217.276925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.276925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.380062 (E_RNA)
where:
Base-Base interactions energy: -155.510
where: short stacking energy: -68.335
Base-Backbone interact. energy: -0.004
local terms energy: -61.866533
where:
bonds (distance) C4'-P energy: -12.226
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: -15.264
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: 2
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -232.639862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.639862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.685735 (E_RNA)
where:
Base-Base interactions energy: -175.310
where: short stacking energy: -71.471
Base-Backbone interact. energy: -0.011
local terms energy: -57.364898
where:
bonds (distance) C4'-P energy: -10.040
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -13.969
flat angles P-C4'-P energy: -2.896
tors. eta vs tors. theta energy: -17.710
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: 6
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -216.018354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.018354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.105802 (E_RNA)
where:
Base-Base interactions energy: -148.842
where: short stacking energy: -64.500
Base-Backbone interact. energy: -0.240
local terms energy: -67.023824
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -11.964
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -17.312
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: 150
Temperature: 1.100000
Total energy: -205.778277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.778277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.067366 (E_RNA)
where:
Base-Base interactions energy: -140.022
where: short stacking energy: -60.571
Base-Backbone interact. energy: -0.075
local terms energy: -65.970335
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -10.455
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -18.087
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: 6, replica: 7
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -195.527691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.527691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.631787 (E_RNA)
where:
Base-Base interactions energy: -134.917
where: short stacking energy: -54.482
Base-Backbone interact. energy: 0.012
local terms energy: -60.726672
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: -13.575
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: 150
Temperature: 1.200000
Total energy: -203.281398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.281398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.397715 (E_RNA)
where:
Base-Base interactions energy: -143.294
where: short stacking energy: -62.597
Base-Backbone interact. energy: -0.001
local terms energy: -60.103643
where:
bonds (distance) C4'-P energy: -11.114
bonds (distance) P-C4' energy: -10.241
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -15.688
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: 8, replica: 9
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -194.612318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.612318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.659949 (E_RNA)
where:
Base-Base interactions energy: -136.391
where: short stacking energy: -57.530
Base-Backbone interact. energy: -0.630
local terms energy: -57.638298
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -10.475
flat angles C4'-P-C4' energy: -11.393
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -12.385
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: 5
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -179.800218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.800218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.505208 (E_RNA)
where:
Base-Base interactions energy: -134.138
where: short stacking energy: -59.723
Base-Backbone interact. energy: -1.104
local terms energy: -54.263052
where:
bonds (distance) C4'-P energy: -4.729
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -13.020
Dist. restrs. and SS energy: 9.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -182.767940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.767940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.046566 (E_RNA)
where:
Base-Base interactions energy: -136.258
where: short stacking energy: -55.911
Base-Backbone interact. energy: -0.123
local terms energy: -54.665522
where:
bonds (distance) C4'-P energy: -6.120
bonds (distance) P-C4' energy: -13.345
flat angles C4'-P-C4' energy: -9.223
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: -16.841
Dist. restrs. and SS energy: 8.279 (S_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: 151
Temperature: 0.900000
Total energy: -236.035079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.035079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.085632 (E_RNA)
where:
Base-Base interactions energy: -174.166
where: short stacking energy: -72.345
Base-Backbone interact. energy: -0.002
local terms energy: -61.918047
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -4.705
tors. eta vs tors. theta energy: -15.837
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: 2
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -229.051397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.051397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.121605 (E_RNA)
where:
Base-Base interactions energy: -167.994
where: short stacking energy: -69.610
Base-Backbone interact. energy: -0.023
local terms energy: -61.105168
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -3.765
tors. eta vs tors. theta energy: -17.521
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: 151
Temperature: 1.000000
Total energy: -218.625414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.625414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.704622 (E_RNA)
where:
Base-Base interactions energy: -157.624
where: short stacking energy: -59.657
Base-Backbone interact. energy: -0.001
local terms energy: -61.080083
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -6.627
tors. eta vs tors. theta energy: -17.515
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: 151
Temperature: 1.050000
Total energy: -228.968349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.968349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.071785 (E_RNA)
where:
Base-Base interactions energy: -166.881
where: short stacking energy: -67.496
Base-Backbone interact. energy: -0.007
local terms energy: -62.183301
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -3.016
tors. eta vs tors. theta energy: -18.008
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: 6
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -212.845493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.845493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.199974 (E_RNA)
where:
Base-Base interactions energy: -163.079
where: short stacking energy: -64.676
Base-Backbone interact. energy: -0.251
local terms energy: -49.870184
where:
bonds (distance) C4'-P energy: -10.335
bonds (distance) P-C4' energy: -7.169
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -2.793
tors. eta vs tors. theta energy: -15.408
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: 6, replica: 3
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -212.862790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.862790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.900318 (E_RNA)
where:
Base-Base interactions energy: -149.395
where: short stacking energy: -63.822
Base-Backbone interact. energy: -0.008
local terms energy: -63.497079
where:
bonds (distance) C4'-P energy: -11.044
bonds (distance) P-C4' energy: -11.977
flat angles C4'-P-C4' energy: -11.612
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -19.598
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: 7
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -200.898201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.898201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.092318 (E_RNA)
where:
Base-Base interactions energy: -143.197
where: short stacking energy: -62.472
Base-Backbone interact. energy: -0.198
local terms energy: -57.698211
where:
bonds (distance) C4'-P energy: -7.863
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -7.670
tors. eta vs tors. theta energy: -15.102
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: 8, replica: 5
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -188.322767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.322767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.252398 (E_RNA)
where:
Base-Base interactions energy: -143.749
where: short stacking energy: -62.117
Base-Backbone interact. energy: -0.008
local terms energy: -53.495558
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -10.236
flat angles C4'-P-C4' energy: -9.615
flat angles P-C4'-P energy: -4.673
tors. eta vs tors. theta energy: -16.698
Dist. restrs. and SS energy: 8.930 (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: 9
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -193.309491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.309491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.327179 (E_RNA)
where:
Base-Base interactions energy: -132.529
where: short stacking energy: -54.898
Base-Backbone interact. energy: -0.334
local terms energy: -60.463524
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -9.644
flat angles C4'-P-C4' energy: -10.911
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -13.949
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: 4
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -180.037076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.037076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.706478 (E_RNA)
where:
Base-Base interactions energy: -130.208
where: short stacking energy: -59.614
Base-Backbone interact. energy: -0.580
local terms energy: -55.917891
where:
bonds (distance) C4'-P energy: -11.638
bonds (distance) P-C4' energy: -10.569
flat angles C4'-P-C4' energy: -11.790
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -11.819
Dist. restrs. and SS energy: 6.669 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -219.586804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.586804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.682521 (E_RNA)
where:
Base-Base interactions energy: -155.961
where: short stacking energy: -64.205
Base-Backbone interact. energy: -0.012
local terms energy: -63.709794
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -6.033
tors. eta vs tors. theta energy: -14.935
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: 2, replica: 1
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -231.923204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.923204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.064488 (E_RNA)
where:
Base-Base interactions energy: -170.418
where: short stacking energy: -66.286
Base-Backbone interact. energy: -0.133
local terms energy: -61.513142
where:
bonds (distance) C4'-P energy: -9.556
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -3.810
tors. eta vs tors. theta energy: -19.422
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: 10
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -227.070810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.070810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.145299 (E_RNA)
where:
Base-Base interactions energy: -169.704
where: short stacking energy: -68.273
Base-Backbone interact. energy: -0.727
local terms energy: -56.714429
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -11.495
flat angles C4'-P-C4' energy: -11.591
flat angles P-C4'-P energy: -4.464
tors. eta vs tors. theta energy: -16.808
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: 8
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -211.902540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.902540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.924166 (E_RNA)
where:
Base-Base interactions energy: -147.032
where: short stacking energy: -60.063
Base-Backbone interact. energy: -0.082
local terms energy: -64.810178
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -13.100
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -15.241
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: 152
Temperature: 1.100000
Total energy: -210.079801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.079801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.079801 (E_RNA)
where:
Base-Base interactions energy: -148.735
where: short stacking energy: -61.695
Base-Backbone interact. energy: -0.003
local terms energy: -61.342423
where:
bonds (distance) C4'-P energy: -7.657
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -8.193
tors. eta vs tors. theta energy: -18.628
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -217.789124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.789124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.871499 (E_RNA)
where:
Base-Base interactions energy: -163.088
where: short stacking energy: -68.284
Base-Backbone interact. energy: -0.004
local terms energy: -54.779903
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -9.860
flat angles C4'-P-C4' energy: -12.972
flat angles P-C4'-P energy: -4.847
tors. eta vs tors. theta energy: -15.432
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: 7
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -201.850176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.850176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.850176 (E_RNA)
where:
Base-Base interactions energy: -143.198
where: short stacking energy: -59.429
Base-Backbone interact. energy: -0.002
local terms energy: -58.650271
where:
bonds (distance) C4'-P energy: -8.463
bonds (distance) P-C4' energy: -9.025
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -17.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -176.110592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.110592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.789986 (E_RNA)
where:
Base-Base interactions energy: -133.750
where: short stacking energy: -54.430
Base-Backbone interact. energy: -0.074
local terms energy: -50.965659
where:
bonds (distance) C4'-P energy: -5.057
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -5.255
tors. eta vs tors. theta energy: -12.733
Dist. restrs. and SS energy: 8.679 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -176.277224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.277224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.067527 (E_RNA)
where:
Base-Base interactions energy: -130.254
where: short stacking energy: -52.820
Base-Backbone interact. energy: -0.215
local terms energy: -53.599316
where:
bonds (distance) C4'-P energy: -11.069
bonds (distance) P-C4' energy: -10.936
flat angles C4'-P-C4' energy: -12.043
flat angles P-C4'-P energy: -5.489
tors. eta vs tors. theta energy: -14.061
Dist. restrs. and SS energy: 7.790 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -195.955834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.955834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.979540 (E_RNA)
where:
Base-Base interactions energy: -138.101
where: short stacking energy: -52.575
Base-Backbone interact. energy: -0.021
local terms energy: -57.856620
where:
bonds (distance) C4'-P energy: -8.178
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -13.806
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: 1, replica: 2
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -229.746626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.746626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.760391 (E_RNA)
where:
Base-Base interactions energy: -160.502
where: short stacking energy: -65.097
Base-Backbone interact. energy: -0.000
local terms energy: -69.257701
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -11.977
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -18.795
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: 10
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -217.528296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.528296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.676437 (E_RNA)
where:
Base-Base interactions energy: -147.852
where: short stacking energy: -58.793
Base-Backbone interact. energy: -0.383
local terms energy: -69.441186
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -12.739
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -15.729
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: 3, replica: 1
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -228.508302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.508302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.508302 (E_RNA)
where:
Base-Base interactions energy: -175.558
where: short stacking energy: -68.721
Base-Backbone interact. energy: -0.009
local terms energy: -52.941156
where:
bonds (distance) C4'-P energy: -12.723
bonds (distance) P-C4' energy: -10.552
flat angles C4'-P-C4' energy: -9.927
flat angles P-C4'-P energy: -4.594
tors. eta vs tors. theta energy: -15.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -213.902228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.902228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.984982 (E_RNA)
where:
Base-Base interactions energy: -152.959
where: short stacking energy: -63.178
Base-Backbone interact. energy: -0.039
local terms energy: -60.987156
where:
bonds (distance) C4'-P energy: -11.902
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -3.911
tors. eta vs tors. theta energy: -15.079
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: 153
Temperature: 1.100000
Total energy: -213.487876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.487876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.487876 (E_RNA)
where:
Base-Base interactions energy: -157.646
where: short stacking energy: -58.687
Base-Backbone interact. energy: -0.094
local terms energy: -55.747445
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -12.828
flat angles C4'-P-C4' energy: -9.070
flat angles P-C4'-P energy: -5.429
tors. eta vs tors. theta energy: -15.419
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -211.276773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.276773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.276773 (E_RNA)
where:
Base-Base interactions energy: -150.651
where: short stacking energy: -63.479
Base-Backbone interact. energy: -0.000
local terms energy: -60.625481
where:
bonds (distance) C4'-P energy: -10.126
bonds (distance) P-C4' energy: -11.404
flat angles C4'-P-C4' energy: -11.480
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -18.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -204.799027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.799027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.846464 (E_RNA)
where:
Base-Base interactions energy: -143.936
where: short stacking energy: -60.711
Base-Backbone interact. energy: -0.094
local terms energy: -60.816356
where:
bonds (distance) C4'-P energy: -7.843
bonds (distance) P-C4' energy: -14.576
flat angles C4'-P-C4' energy: -11.406
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -16.383
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: 4
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -187.268064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.268064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.634874 (E_RNA)
where:
Base-Base interactions energy: -138.936
where: short stacking energy: -63.481
Base-Backbone interact. energy: -0.004
local terms energy: -55.695088
where:
bonds (distance) C4'-P energy: -11.278
bonds (distance) P-C4' energy: -3.716
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -7.212
tors. eta vs tors. theta energy: -19.083
Dist. restrs. and SS energy: 7.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -175.968409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.968409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.051175 (E_RNA)
where:
Base-Base interactions energy: -132.938
where: short stacking energy: -55.922
Base-Backbone interact. energy: -0.883
local terms energy: -50.229633
where:
bonds (distance) C4'-P energy: -8.422
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -6.341
tors. eta vs tors. theta energy: -9.469
Dist. restrs. and SS energy: 8.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -195.472480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.472480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.540210 (E_RNA)
where:
Base-Base interactions energy: -138.831
where: short stacking energy: -52.879
Base-Backbone interact. energy: -0.082
local terms energy: -56.627762
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -11.652
flat angles P-C4'-P energy: -5.840
tors. eta vs tors. theta energy: -12.824
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: 1, replica: 2
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -235.044744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.044744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.101453 (E_RNA)
where:
Base-Base interactions energy: -169.592
where: short stacking energy: -68.903
Base-Backbone interact. energy: 0.034
local terms energy: -65.544321
where:
bonds (distance) C4'-P energy: -9.968
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -7.945
tors. eta vs tors. theta energy: -18.488
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: 10
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -224.829999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.829999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.829999 (E_RNA)
where:
Base-Base interactions energy: -163.545
where: short stacking energy: -64.662
Base-Backbone interact. energy: -0.140
local terms energy: -61.144763
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -15.992
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -4.209
tors. eta vs tors. theta energy: -14.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -218.810936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.810936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.964975 (E_RNA)
where:
Base-Base interactions energy: -155.411
where: short stacking energy: -60.149
Base-Backbone interact. energy: -0.043
local terms energy: -63.510555
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -11.636
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -14.793
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: 4, replica: 1
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -217.032456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.032456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.032775 (E_RNA)
where:
Base-Base interactions energy: -154.713
where: short stacking energy: -58.036
Base-Backbone interact. energy: -0.365
local terms energy: -61.954363
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -6.736
tors. eta vs tors. theta energy: -13.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -217.924824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.924824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.047857 (E_RNA)
where:
Base-Base interactions energy: -160.742
where: short stacking energy: -62.619
Base-Backbone interact. energy: -0.002
local terms energy: -57.304003
where:
bonds (distance) C4'-P energy: -10.240
bonds (distance) P-C4' energy: -10.964
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -3.888
tors. eta vs tors. theta energy: -16.411
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: 6, replica: 8
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -205.094800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.094800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.152893 (E_RNA)
where:
Base-Base interactions energy: -151.849
where: short stacking energy: -57.168
Base-Backbone interact. energy: -0.002
local terms energy: -53.301929
where:
bonds (distance) C4'-P energy: -7.109
bonds (distance) P-C4' energy: -8.936
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -15.914
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: 7
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -204.985488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.985488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.086403 (E_RNA)
where:
Base-Base interactions energy: -149.615
where: short stacking energy: -57.922
Base-Backbone interact. energy: -0.012
local terms energy: -55.459077
where:
bonds (distance) C4'-P energy: -9.019
bonds (distance) P-C4' energy: -11.096
flat angles C4'-P-C4' energy: -10.056
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -15.814
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: 154
Temperature: 1.250000
Total energy: -192.807960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.807960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.393746 (E_RNA)
where:
Base-Base interactions energy: -143.681
where: short stacking energy: -53.986
Base-Backbone interact. energy: -0.171
local terms energy: -56.542395
where:
bonds (distance) C4'-P energy: -9.354
bonds (distance) P-C4' energy: -11.240
flat angles C4'-P-C4' energy: -11.982
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -15.736
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: 9, replica: 9
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -193.413919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.413919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.489919 (E_RNA)
where:
Base-Base interactions energy: -143.638
where: short stacking energy: -56.834
Base-Backbone interact. energy: -0.159
local terms energy: -49.693244
where:
bonds (distance) C4'-P energy: -6.231
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -6.844
tors. eta vs tors. theta energy: -12.445
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: 5
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -161.797147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.797147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.594764 (E_RNA)
where:
Base-Base interactions energy: -111.065
where: short stacking energy: -46.508
Base-Backbone interact. energy: -0.942
local terms energy: -56.587137
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -6.665
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -14.796
Dist. restrs. and SS energy: 6.798 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -218.472725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.472725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.558626 (E_RNA)
where:
Base-Base interactions energy: -150.009
where: short stacking energy: -62.818
Base-Backbone interact. energy: -0.807
local terms energy: -67.742615
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -7.956
tors. eta vs tors. theta energy: -17.225
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: 3
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -234.905413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.905413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.060027 (E_RNA)
where:
Base-Base interactions energy: -170.436
where: short stacking energy: -65.788
Base-Backbone interact. energy: -0.345
local terms energy: -64.279534
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -5.346
tors. eta vs tors. theta energy: -17.377
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: 10
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -213.666942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.666942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.672678 (E_RNA)
where:
Base-Base interactions energy: -156.100
where: short stacking energy: -63.076
Base-Backbone interact. energy: -0.356
local terms energy: -57.216367
where:
bonds (distance) C4'-P energy: -9.230
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -15.491
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: 155
Temperature: 1.050000
Total energy: -214.744563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.744563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.939530 (E_RNA)
where:
Base-Base interactions energy: -157.495
where: short stacking energy: -64.456
Base-Backbone interact. energy: -0.590
local terms energy: -56.854247
where:
bonds (distance) C4'-P energy: -7.188
bonds (distance) P-C4' energy: -12.331
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -6.921
tors. eta vs tors. theta energy: -15.087
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: 5, replica: 1
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -206.569027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.569027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.653788 (E_RNA)
where:
Base-Base interactions energy: -141.008
where: short stacking energy: -56.121
Base-Backbone interact. energy: -0.335
local terms energy: -65.310319
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -12.784
flat angles C4'-P-C4' energy: -11.224
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -17.200
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: 6, replica: 8
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -205.384838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.384838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.572980 (E_RNA)
where:
Base-Base interactions energy: -142.039
where: short stacking energy: -62.219
Base-Backbone interact. energy: -0.262
local terms energy: -63.271727
where:
bonds (distance) C4'-P energy: -12.467
bonds (distance) P-C4' energy: -11.684
flat angles C4'-P-C4' energy: -13.370
flat angles P-C4'-P energy: -7.955
tors. eta vs tors. theta energy: -17.797
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: 7, replica: 7
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -201.011497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.011497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.064136 (E_RNA)
where:
Base-Base interactions energy: -142.376
where: short stacking energy: -50.687
Base-Backbone interact. energy: -0.089
local terms energy: -58.598585
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -14.124
flat angles P-C4'-P energy: -7.158
tors. eta vs tors. theta energy: -9.636
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: 8, replica: 9
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -198.809242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.809242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.949572 (E_RNA)
where:
Base-Base interactions energy: -134.228
where: short stacking energy: -62.175
Base-Backbone interact. energy: -0.285
local terms energy: -64.436112
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -13.745
flat angles C4'-P-C4' energy: -11.741
flat angles P-C4'-P energy: -8.821
tors. eta vs tors. theta energy: -17.626
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: 9, replica: 4
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -181.056305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.056305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.280992 (E_RNA)
where:
Base-Base interactions energy: -131.817
where: short stacking energy: -57.529
Base-Backbone interact. energy: 0.445
local terms energy: -57.909335
where:
bonds (distance) C4'-P energy: -8.381
bonds (distance) P-C4' energy: -12.811
flat angles C4'-P-C4' energy: -11.261
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -15.284
Dist. restrs. and SS energy: 8.225 (S_DIST_RNA)
chem. 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: -170.251218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.251218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.269559 (E_RNA)
where:
Base-Base interactions energy: -119.865
where: short stacking energy: -57.354
Base-Backbone interact. energy: -0.001
local terms energy: -59.403651
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -12.949
flat angles C4'-P-C4' energy: -11.720
flat angles P-C4'-P energy: -7.495
tors. eta vs tors. theta energy: -13.491
Dist. restrs. and SS energy: 9.018 (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: 156
Temperature: 0.900000
Total energy: -233.355235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.355235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.434776 (E_RNA)
where:
Base-Base interactions energy: -170.396
where: short stacking energy: -66.021
Base-Backbone interact. energy: -0.879
local terms energy: -62.160252
where:
bonds (distance) C4'-P energy: -13.158
bonds (distance) P-C4' energy: -10.160
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -16.826
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: 2
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -214.393371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.393371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.585063 (E_RNA)
where:
Base-Base interactions energy: -146.532
where: short stacking energy: -60.601
Base-Backbone interact. energy: -0.003
local terms energy: -68.049864
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -17.049
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: 10
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -229.329969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.329969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.419720 (E_RNA)
where:
Base-Base interactions energy: -165.261
where: short stacking energy: -62.076
Base-Backbone interact. energy: -0.014
local terms energy: -64.144857
where:
bonds (distance) C4'-P energy: -10.307
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -17.301
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: 6
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -205.924924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.924924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.954128 (E_RNA)
where:
Base-Base interactions energy: -146.292
where: short stacking energy: -61.777
Base-Backbone interact. energy: -0.009
local terms energy: -59.652574
where:
bonds (distance) C4'-P energy: -11.104
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -11.248
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: 156
Temperature: 1.100000
Total energy: -209.461239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.461239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.535408 (E_RNA)
where:
Base-Base interactions energy: -144.086
where: short stacking energy: -55.917
Base-Backbone interact. energy: -0.003
local terms energy: -65.446322
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -7.301
tors. eta vs tors. theta energy: -15.534
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: 1
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -204.134970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.134970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.134970 (E_RNA)
where:
Base-Base interactions energy: -158.140
where: short stacking energy: -60.615
Base-Backbone interact. energy: -0.011
local terms energy: -45.983771
where:
bonds (distance) C4'-P energy: -7.665
bonds (distance) P-C4' energy: -8.944
flat angles C4'-P-C4' energy: -10.185
flat angles P-C4'-P energy: -3.521
tors. eta vs tors. theta energy: -15.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -193.738665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.738665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.135117 (E_RNA)
where:
Base-Base interactions energy: -135.809
where: short stacking energy: -63.993
Base-Backbone interact. energy: -0.056
local terms energy: -58.269718
where:
bonds (distance) C4'-P energy: -10.024
bonds (distance) P-C4' energy: -10.998
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -15.818
Dist. restrs. and SS energy: 0.396 (S_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: 156
Temperature: 1.250000
Total energy: -201.149313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.149313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.206250 (E_RNA)
where:
Base-Base interactions energy: -137.793
where: short stacking energy: -51.384
Base-Backbone interact. energy: -0.305
local terms energy: -63.108202
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -12.638
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: 156
Temperature: 1.300000
Total energy: -167.208465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.208465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.551791 (E_RNA)
where:
Base-Base interactions energy: -122.556
where: short stacking energy: -46.441
Base-Backbone interact. energy: -0.743
local terms energy: -50.252861
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -11.366
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -4.253
tors. eta vs tors. theta energy: -9.124
Dist. restrs. and SS energy: 6.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -200.003155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.003155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.325336 (E_RNA)
where:
Base-Base interactions energy: -149.239
where: short stacking energy: -62.666
Base-Backbone interact. energy: -0.239
local terms energy: -58.847446
where:
bonds (distance) C4'-P energy: -10.157
bonds (distance) P-C4' energy: -12.822
flat angles C4'-P-C4' energy: -11.739
flat angles P-C4'-P energy: -4.744
tors. eta vs tors. theta energy: -19.387
Dist. restrs. and SS energy: 8.322 (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: 3
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -234.044546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.044546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.084275 (E_RNA)
where:
Base-Base interactions energy: -175.182
where: short stacking energy: -70.770
Base-Backbone interact. energy: -0.473
local terms energy: -58.428612
where:
bonds (distance) C4'-P energy: -9.752
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -1.926
tors. eta vs tors. theta energy: -15.787
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: 157
Temperature: 0.950000
Total energy: -229.016981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.016981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.039591 (E_RNA)
where:
Base-Base interactions energy: -166.800
where: short stacking energy: -67.947
Base-Backbone interact. energy: -0.014
local terms energy: -62.225895
where:
bonds (distance) C4'-P energy: -12.921
bonds (distance) P-C4' energy: -11.980
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -4.385
tors. eta vs tors. theta energy: -18.531
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: 157
Temperature: 1.000000
Total energy: -219.938663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.938663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.938663 (E_RNA)
where:
Base-Base interactions energy: -150.480
where: short stacking energy: -64.106
Base-Backbone interact. energy: -0.005
local terms energy: -69.454102
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -13.649
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -9.022
tors. eta vs tors. theta energy: -18.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -206.825226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.825226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.838432 (E_RNA)
where:
Base-Base interactions energy: -145.161
where: short stacking energy: -55.824
Base-Backbone interact. energy: -0.003
local terms energy: -61.674806
where:
bonds (distance) C4'-P energy: -8.708
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: -15.390
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: 6
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -197.767735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.767735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.848439 (E_RNA)
where:
Base-Base interactions energy: -145.025
where: short stacking energy: -59.437
Base-Backbone interact. energy: -0.481
local terms energy: -52.342923
where:
bonds (distance) C4'-P energy: -7.763
bonds (distance) P-C4' energy: -7.469
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -7.916
tors. eta vs tors. theta energy: -13.707
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: 9
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -201.971761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.971761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.070334 (E_RNA)
where:
Base-Base interactions energy: -135.596
where: short stacking energy: -50.595
Base-Backbone interact. energy: -0.021
local terms energy: -66.453779
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -14.648
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: 157
Temperature: 1.200000
Total energy: -203.552825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.552825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.553957 (E_RNA)
where:
Base-Base interactions energy: -140.036
where: short stacking energy: -55.582
Base-Backbone interact. energy: -0.560
local terms energy: -62.957585
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -6.139
tors. eta vs tors. theta energy: -14.240
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: 157
Temperature: 1.250000
Total energy: -211.062624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.062624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.097872 (E_RNA)
where:
Base-Base interactions energy: -154.476
where: short stacking energy: -61.825
Base-Backbone interact. energy: -0.003
local terms energy: -56.618853
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -11.841
flat angles C4'-P-C4' energy: -9.825
flat angles P-C4'-P energy: -6.650
tors. eta vs tors. theta energy: -16.396
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: 9, replica: 5
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -172.206252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.206252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.162225 (E_RNA)
where:
Base-Base interactions energy: -121.212
where: short stacking energy: -50.688
Base-Backbone interact. energy: -0.101
local terms energy: -59.849539
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -15.764
flat angles C4'-P-C4' energy: -11.238
flat angles P-C4'-P energy: -5.594
tors. eta vs tors. theta energy: -15.511
Dist. restrs. and SS energy: 8.956 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -173.364786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.364786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.751346 (E_RNA)
where:
Base-Base interactions energy: -128.205
where: short stacking energy: -56.295
Base-Backbone interact. energy: -0.278
local terms energy: -51.268531
where:
bonds (distance) C4'-P energy: -10.596
bonds (distance) P-C4' energy: -10.397
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -4.393
tors. eta vs tors. theta energy: -12.053
Dist. restrs. and SS energy: 6.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -233.714343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.714343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.743645 (E_RNA)
where:
Base-Base interactions energy: -171.295
where: short stacking energy: -68.763
Base-Backbone interact. energy: -0.681
local terms energy: -61.767654
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.912
flat angles P-C4'-P energy: -3.834
tors. eta vs tors. theta energy: -17.473
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: 158
Temperature: 0.950000
Total energy: -233.629175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.629175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.637985 (E_RNA)
where:
Base-Base interactions energy: -176.267
where: short stacking energy: -72.464
Base-Backbone interact. energy: -0.105
local terms energy: -57.265873
where:
bonds (distance) C4'-P energy: -8.617
bonds (distance) P-C4' energy: -12.123
flat angles C4'-P-C4' energy: -12.175
flat angles P-C4'-P energy: -7.042
tors. eta vs tors. theta energy: -17.309
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: 158
Temperature: 1.000000
Total energy: -218.027094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.027094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.132569 (E_RNA)
where:
Base-Base interactions energy: -159.959
where: short stacking energy: -64.440
Base-Backbone interact. energy: -0.003
local terms energy: -58.170221
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -9.587
flat angles C4'-P-C4' energy: -13.702
flat angles P-C4'-P energy: -4.893
tors. eta vs tors. theta energy: -17.741
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: 2
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -210.940614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.940614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.955895 (E_RNA)
where:
Base-Base interactions energy: -156.837
where: short stacking energy: -56.737
Base-Backbone interact. energy: -0.001
local terms energy: -54.118321
where:
bonds (distance) C4'-P energy: -8.430
bonds (distance) P-C4' energy: -12.160
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -2.783
tors. eta vs tors. theta energy: -15.715
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: 158
Temperature: 1.100000
Total energy: -209.967155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.967155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.163410 (E_RNA)
where:
Base-Base interactions energy: -148.852
where: short stacking energy: -62.987
Base-Backbone interact. energy: -0.004
local terms energy: -61.307225
where:
bonds (distance) C4'-P energy: -9.122
bonds (distance) P-C4' energy: -9.430
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -18.300
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: 6, replica: 6
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -203.659180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.659180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.778476 (E_RNA)
where:
Base-Base interactions energy: -143.581
where: short stacking energy: -60.910
Base-Backbone interact. energy: -0.010
local terms energy: -60.186933
where:
bonds (distance) C4'-P energy: -9.181
bonds (distance) P-C4' energy: -13.190
flat angles C4'-P-C4' energy: -12.601
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -15.276
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: 7
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -209.553798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.553798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.754908 (E_RNA)
where:
Base-Base interactions energy: -151.080
where: short stacking energy: -65.438
Base-Backbone interact. energy: -0.055
local terms energy: -58.620176
where:
bonds (distance) C4'-P energy: -9.289
bonds (distance) P-C4' energy: -13.362
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -6.437
tors. eta vs tors. theta energy: -15.260
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: 1
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -201.869707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.869707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.952277 (E_RNA)
where:
Base-Base interactions energy: -149.993
where: short stacking energy: -57.633
Base-Backbone interact. energy: -0.079
local terms energy: -51.879694
where:
bonds (distance) C4'-P energy: -5.819
bonds (distance) P-C4' energy: -12.701
flat angles C4'-P-C4' energy: -11.370
flat angles P-C4'-P energy: -6.461
tors. eta vs tors. theta energy: -15.529
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: 158
Temperature: 1.300000
Total energy: -175.468166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.468166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.423516 (E_RNA)
where:
Base-Base interactions energy: -121.944
where: short stacking energy: -50.857
Base-Backbone interact. energy: -0.678
local terms energy: -60.802072
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -8.793
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -14.477
Dist. restrs. and SS energy: 7.955 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -158.876557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.876557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.282623 (E_RNA)
where:
Base-Base interactions energy: -119.979
where: short stacking energy: -43.856
Base-Backbone interact. energy: 0.413
local terms energy: -46.716712
where:
bonds (distance) C4'-P energy: -4.168
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -13.894
flat angles P-C4'-P energy: -5.680
tors. eta vs tors. theta energy: -10.148
Dist. restrs. and SS energy: 7.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -237.148117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.148117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.165918 (E_RNA)
where:
Base-Base interactions energy: -176.018
where: short stacking energy: -72.018
Base-Backbone interact. energy: -0.252
local terms energy: -60.896218
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -10.302
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -2.648
tors. eta vs tors. theta energy: -17.887
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: 8
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -225.781514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.781514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.817567 (E_RNA)
where:
Base-Base interactions energy: -163.399
where: short stacking energy: -63.031
Base-Backbone interact. energy: -0.412
local terms energy: -62.006078
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -11.532
flat angles P-C4'-P energy: -6.067
tors. eta vs tors. theta energy: -15.969
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: 3
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -230.199253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.199253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.639687 (E_RNA)
where:
Base-Base interactions energy: -165.188
where: short stacking energy: -69.633
Base-Backbone interact. energy: -0.319
local terms energy: -65.132888
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -7.018
tors. eta vs tors. theta energy: -14.548
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: 4, replica: 9
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -215.584915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.584915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.611621 (E_RNA)
where:
Base-Base interactions energy: -162.410
where: short stacking energy: -64.936
Base-Backbone interact. energy: -0.101
local terms energy: -53.100880
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -7.649
flat angles C4'-P-C4' energy: -9.695
flat angles P-C4'-P energy: -6.271
tors. eta vs tors. theta energy: -17.363
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: 2
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -207.155738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.155738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.260184 (E_RNA)
where:
Base-Base interactions energy: -141.581
where: short stacking energy: -57.032
Base-Backbone interact. energy: -0.055
local terms energy: -65.624233
where:
bonds (distance) C4'-P energy: -10.760
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -11.836
tors. eta vs tors. theta energy: -15.819
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: 7
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -203.107312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.107312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.162045 (E_RNA)
where:
Base-Base interactions energy: -145.724
where: short stacking energy: -56.812
Base-Backbone interact. energy: -0.364
local terms energy: -57.073804
where:
bonds (distance) C4'-P energy: -11.495
bonds (distance) P-C4' energy: -9.922
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -12.807
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: 159
Temperature: 1.200000
Total energy: -202.341817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.341817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.431601 (E_RNA)
where:
Base-Base interactions energy: -139.649
where: short stacking energy: -59.111
Base-Backbone interact. energy: -0.015
local terms energy: -62.767645
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -14.889
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: 1
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -195.020896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.020896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.043441 (E_RNA)
where:
Base-Base interactions energy: -135.395
where: short stacking energy: -54.583
Base-Backbone interact. energy: -0.602
local terms energy: -59.046381
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -7.189
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -13.665
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: 4
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -181.292086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.292086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.831776 (E_RNA)
where:
Base-Base interactions energy: -132.387
where: short stacking energy: -53.889
Base-Backbone interact. energy: -1.475
local terms energy: -54.968934
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -7.858
flat angles C4'-P-C4' energy: -11.260
flat angles P-C4'-P energy: -7.011
tors. eta vs tors. theta energy: -14.108
Dist. restrs. and SS energy: 7.540 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -167.594277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.594277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.088468 (E_RNA)
where:
Base-Base interactions energy: -112.242
where: short stacking energy: -49.225
Base-Backbone interact. energy: -0.272
local terms energy: -62.574466
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: -15.478
Dist. restrs. and SS energy: 7.494 (S_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: 160
Temperature: 0.900000
Total energy: -230.957339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.957339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.959672 (E_RNA)
where:
Base-Base interactions energy: -167.596
where: short stacking energy: -66.942
Base-Backbone interact. energy: -0.162
local terms energy: -63.201488
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -3.748
tors. eta vs tors. theta energy: -17.801
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: 10
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -234.938697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.938697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.938697 (E_RNA)
where:
Base-Base interactions energy: -170.619
where: short stacking energy: -66.894
Base-Backbone interact. energy: -0.012
local terms energy: -64.307532
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -6.091
tors. eta vs tors. theta energy: -17.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -233.139193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.139193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.153214 (E_RNA)
where:
Base-Base interactions energy: -176.114
where: short stacking energy: -70.072
Base-Backbone interact. energy: -0.034
local terms energy: -57.005110
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -12.043
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -3.000
tors. eta vs tors. theta energy: -17.074
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: 9
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -207.535583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.535583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.633565 (E_RNA)
where:
Base-Base interactions energy: -141.923
where: short stacking energy: -56.595
Base-Backbone interact. energy: -0.013
local terms energy: -65.697825
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -11.164
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -15.420
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: 160
Temperature: 1.100000
Total energy: -210.324973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.324973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.394571 (E_RNA)
where:
Base-Base interactions energy: -147.271
where: short stacking energy: -64.522
Base-Backbone interact. energy: -0.002
local terms energy: -63.121850
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -12.552
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -16.001
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: 7
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -202.671266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.671266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.715140 (E_RNA)
where:
Base-Base interactions energy: -146.668
where: short stacking energy: -58.140
Base-Backbone interact. energy: -0.344
local terms energy: -55.702927
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -10.682
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -10.576
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: 1
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -197.857700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.857700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.857700 (E_RNA)
where:
Base-Base interactions energy: -142.875
where: short stacking energy: -60.820
Base-Backbone interact. energy: 0.649
local terms energy: -55.631588
where:
bonds (distance) C4'-P energy: -6.956
bonds (distance) P-C4' energy: -9.855
flat angles C4'-P-C4' energy: -12.181
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: -16.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -197.380286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.380286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.423512 (E_RNA)
where:
Base-Base interactions energy: -139.776
where: short stacking energy: -57.163
Base-Backbone interact. energy: -0.096
local terms energy: -57.551639
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -9.196
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -15.050
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: 160
Temperature: 1.300000
Total energy: -180.692686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.692686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.665177 (E_RNA)
where:
Base-Base interactions energy: -130.280
where: short stacking energy: -53.747
Base-Backbone interact. energy: -0.069
local terms energy: -58.316975
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -10.180
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -6.484
tors. eta vs tors. theta energy: -15.950
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: 10, replica: 4
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -179.739517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.739517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.516893 (E_RNA)
where:
Base-Base interactions energy: -124.396
where: short stacking energy: -58.121
Base-Backbone interact. energy: -0.043
local terms energy: -63.077377
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -6.794
tors. eta vs tors. theta energy: -16.584
Dist. restrs. and SS energy: 7.777 (S_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: 161
Temperature: 0.900000
Total energy: -229.534615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.534615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.613805 (E_RNA)
where:
Base-Base interactions energy: -169.905
where: short stacking energy: -67.747
Base-Backbone interact. energy: -0.263
local terms energy: -59.445729
where:
bonds (distance) C4'-P energy: -10.343
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -11.545
flat angles P-C4'-P energy: -5.299
tors. eta vs tors. theta energy: -17.501
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: 161
Temperature: 0.950000
Total energy: -237.979516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.979516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.009969 (E_RNA)
where:
Base-Base interactions energy: -176.270
where: short stacking energy: -70.367
Base-Backbone interact. energy: -0.469
local terms energy: -61.270345
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -3.841
tors. eta vs tors. theta energy: -13.703
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: 10
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -231.486703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.486703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.486703 (E_RNA)
where:
Base-Base interactions energy: -169.605
where: short stacking energy: -67.399
Base-Backbone interact. energy: -0.016
local terms energy: -61.866015
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -12.673
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -4.159
tors. eta vs tors. theta energy: -18.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -205.531893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.531893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.578454 (E_RNA)
where:
Base-Base interactions energy: -143.412
where: short stacking energy: -58.387
Base-Backbone interact. energy: 0.031
local terms energy: -62.197394
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -4.685
tors. eta vs tors. theta energy: -15.652
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: 9
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -207.085682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.085682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.087447 (E_RNA)
where:
Base-Base interactions energy: -141.415
where: short stacking energy: -56.551
Base-Backbone interact. energy: -1.257
local terms energy: -64.414870
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -14.245
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -18.320
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: 1
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -202.092336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.092336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.153055 (E_RNA)
where:
Base-Base interactions energy: -142.745
where: short stacking energy: -57.307
Base-Backbone interact. energy: -0.001
local terms energy: -59.407094
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -10.781
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -4.069
tors. eta vs tors. theta energy: -15.662
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: 7
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -201.444096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.444096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.508673 (E_RNA)
where:
Base-Base interactions energy: -149.109
where: short stacking energy: -62.193
Base-Backbone interact. energy: -0.158
local terms energy: -52.241728
where:
bonds (distance) C4'-P energy: -9.162
bonds (distance) P-C4' energy: -6.811
flat angles C4'-P-C4' energy: -10.065
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -15.864
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: 161
Temperature: 1.250000
Total energy: -184.715305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.715305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.512542 (E_RNA)
where:
Base-Base interactions energy: -135.545
where: short stacking energy: -55.802
Base-Backbone interact. energy: -0.045
local terms energy: -56.921943
where:
bonds (distance) C4'-P energy: -10.062
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -12.341
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -13.751
Dist. restrs. and SS energy: 7.797 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -186.295082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.295082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.515563 (E_RNA)
where:
Base-Base interactions energy: -133.802
where: short stacking energy: -50.321
Base-Backbone interact. energy: -0.128
local terms energy: -52.585298
where:
bonds (distance) C4'-P energy: -7.144
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -9.019
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -13.740
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: 10, replica: 4
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -175.737745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.737745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.015954 (E_RNA)
where:
Base-Base interactions energy: -124.292
where: short stacking energy: -56.196
Base-Backbone interact. energy: -0.002
local terms energy: -58.721755
where:
bonds (distance) C4'-P energy: -8.836
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -7.377
tors. eta vs tors. theta energy: -16.404
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: 1, replica: 3
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -238.783155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.783155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.797268 (E_RNA)
where:
Base-Base interactions energy: -176.707
where: short stacking energy: -72.935
Base-Backbone interact. energy: -0.008
local terms energy: -62.081649
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -9.828
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -7.051
tors. eta vs tors. theta energy: -17.559
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: 8
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -227.869422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.869422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.140337 (E_RNA)
where:
Base-Base interactions energy: -165.083
where: short stacking energy: -66.886
Base-Backbone interact. energy: -0.002
local terms energy: -63.055594
where:
bonds (distance) C4'-P energy: -11.149
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -3.369
tors. eta vs tors. theta energy: -19.165
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: 3, replica: 10
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -229.865125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.865125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.870028 (E_RNA)
where:
Base-Base interactions energy: -167.770
where: short stacking energy: -67.375
Base-Backbone interact. energy: -0.002
local terms energy: -62.097834
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -13.069
flat angles C4'-P-C4' energy: -13.053
flat angles P-C4'-P energy: -2.961
tors. eta vs tors. theta energy: -17.435
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: 162
Temperature: 1.050000
Total energy: -206.852476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.852476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.931623 (E_RNA)
where:
Base-Base interactions energy: -134.664
where: short stacking energy: -52.913
Base-Backbone interact. energy: -0.003
local terms energy: -72.264488
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -12.740
tors. eta vs tors. theta energy: -18.067
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: 1
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -216.530863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.530863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.640413 (E_RNA)
where:
Base-Base interactions energy: -156.939
where: short stacking energy: -63.110
Base-Backbone interact. energy: -0.003
local terms energy: -59.698783
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -10.396
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -7.863
tors. eta vs tors. theta energy: -16.700
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: 9
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -208.465137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.465137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.465137 (E_RNA)
where:
Base-Base interactions energy: -144.175
where: short stacking energy: -58.697
Base-Backbone interact. energy: -0.253
local terms energy: -64.037329
where:
bonds (distance) C4'-P energy: -12.721
bonds (distance) P-C4' energy: -11.306
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -15.454
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -199.906938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.906938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.130023 (E_RNA)
where:
Base-Base interactions energy: -145.539
where: short stacking energy: -58.540
Base-Backbone interact. energy: -0.194
local terms energy: -54.396864
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -9.415
flat angles C4'-P-C4' energy: -12.010
flat angles P-C4'-P energy: -5.440
tors. eta vs tors. theta energy: -13.935
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: 5
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -184.709831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.709831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.201502 (E_RNA)
where:
Base-Base interactions energy: -131.612
where: short stacking energy: -55.394
Base-Backbone interact. energy: -0.046
local terms energy: -61.543824
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -11.967
flat angles C4'-P-C4' energy: -11.414
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -16.239
Dist. restrs. and SS energy: 8.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -197.541190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.541190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.610770 (E_RNA)
where:
Base-Base interactions energy: -139.509
where: short stacking energy: -56.271
Base-Backbone interact. energy: -0.033
local terms energy: -58.068902
where:
bonds (distance) C4'-P energy: -9.773
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -7.895
tors. eta vs tors. theta energy: -14.240
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: 10, replica: 4
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -170.234089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.234089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.983553 (E_RNA)
where:
Base-Base interactions energy: -121.243
where: short stacking energy: -51.886
Base-Backbone interact. energy: 0.052
local terms energy: -56.792743
where:
bonds (distance) C4'-P energy: -11.101
bonds (distance) P-C4' energy: -10.219
flat angles C4'-P-C4' energy: -10.811
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -14.207
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: 3
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -237.185256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.185256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.233075 (E_RNA)
where:
Base-Base interactions energy: -174.326
where: short stacking energy: -70.101
Base-Backbone interact. energy: -0.006
local terms energy: -62.900986
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -6.339
tors. eta vs tors. theta energy: -16.577
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: 10
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -232.976075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.976075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.981290 (E_RNA)
where:
Base-Base interactions energy: -170.657
where: short stacking energy: -65.374
Base-Backbone interact. energy: -0.002
local terms energy: -62.322390
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -11.550
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -4.399
tors. eta vs tors. theta energy: -18.661
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: 3, replica: 8
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -226.750655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.750655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.815365 (E_RNA)
where:
Base-Base interactions energy: -165.879
where: short stacking energy: -66.842
Base-Backbone interact. energy: -0.495
local terms energy: -60.441032
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -1.934
tors. eta vs tors. theta energy: -18.329
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: 163
Temperature: 1.050000
Total energy: -212.059794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.059794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.059794 (E_RNA)
where:
Base-Base interactions energy: -149.593
where: short stacking energy: -61.446
Base-Backbone interact. energy: 0.193
local terms energy: -62.659463
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -12.147
flat angles P-C4'-P energy: -8.445
tors. eta vs tors. theta energy: -15.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -215.859603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.859603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.859603 (E_RNA)
where:
Base-Base interactions energy: -161.185
where: short stacking energy: -60.670
Base-Backbone interact. energy: -0.963
local terms energy: -53.711304
where:
bonds (distance) C4'-P energy: -12.353
bonds (distance) P-C4' energy: -7.492
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -6.387
tors. eta vs tors. theta energy: -14.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -199.756692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.756692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.782533 (E_RNA)
where:
Base-Base interactions energy: -136.885
where: short stacking energy: -50.596
Base-Backbone interact. energy: -0.002
local terms energy: -62.895424
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -10.805
tors. eta vs tors. theta energy: -13.002
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: 9
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -205.883421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.883421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.883421 (E_RNA)
where:
Base-Base interactions energy: -145.350
where: short stacking energy: -59.289
Base-Backbone interact. energy: -0.177
local terms energy: -60.356188
where:
bonds (distance) C4'-P energy: -11.366
bonds (distance) P-C4' energy: -10.579
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -15.841
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -202.146084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.146084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.216215 (E_RNA)
where:
Base-Base interactions energy: -142.327
where: short stacking energy: -54.128
Base-Backbone interact. energy: -0.000
local terms energy: -59.889419
where:
bonds (distance) C4'-P energy: -10.737
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -11.083
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -16.182
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: 9, replica: 5
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -173.645475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.645475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.516684 (E_RNA)
where:
Base-Base interactions energy: -123.344
where: short stacking energy: -51.887
Base-Backbone interact. energy: -0.008
local terms energy: -58.164931
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -10.116
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -13.649
Dist. restrs. and SS energy: 7.871 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -166.542441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.542441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.004991 (E_RNA)
where:
Base-Base interactions energy: -125.924
where: short stacking energy: -52.464
Base-Backbone interact. energy: -0.028
local terms energy: -50.053260
where:
bonds (distance) C4'-P energy: -8.812
bonds (distance) P-C4' energy: -9.947
flat angles C4'-P-C4' energy: -10.040
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -12.325
Dist. restrs. and SS energy: 9.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -238.572930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.572930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.575709 (E_RNA)
where:
Base-Base interactions energy: -176.323
where: short stacking energy: -74.052
Base-Backbone interact. energy: -0.013
local terms energy: -62.240214
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -5.178
tors. eta vs tors. theta energy: -18.753
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: 2, replica: 10
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -235.798362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.798362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.921530 (E_RNA)
where:
Base-Base interactions energy: -174.200
where: short stacking energy: -71.427
Base-Backbone interact. energy: -0.488
local terms energy: -61.234011
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -2.618
tors. eta vs tors. theta energy: -17.392
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: 1
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -225.503446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.503446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.526525 (E_RNA)
where:
Base-Base interactions energy: -167.554
where: short stacking energy: -67.019
Base-Backbone interact. energy: -0.084
local terms energy: -57.888048
where:
bonds (distance) C4'-P energy: -11.514
bonds (distance) P-C4' energy: -10.625
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -7.025
tors. eta vs tors. theta energy: -13.910
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: 8
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -218.436605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.436605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.482840 (E_RNA)
where:
Base-Base interactions energy: -164.407
where: short stacking energy: -64.442
Base-Backbone interact. energy: -0.000
local terms energy: -54.075145
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -10.111
flat angles C4'-P-C4' energy: -10.365
flat angles P-C4'-P energy: -7.291
tors. eta vs tors. theta energy: -14.238
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: 5, replica: 2
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -227.078625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.078625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.164990 (E_RNA)
where:
Base-Base interactions energy: -167.541
where: short stacking energy: -69.065
Base-Backbone interact. energy: -0.014
local terms energy: -59.609823
where:
bonds (distance) C4'-P energy: -10.139
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -3.254
tors. eta vs tors. theta energy: -17.808
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: 7
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -212.117633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.117633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.293155 (E_RNA)
where:
Base-Base interactions energy: -144.480
where: short stacking energy: -59.871
Base-Backbone interact. energy: -0.038
local terms energy: -67.775185
where:
bonds (distance) C4'-P energy: -11.034
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -13.423
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -18.021
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: 164
Temperature: 1.200000
Total energy: -200.662479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.662479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.662479 (E_RNA)
where:
Base-Base interactions energy: -139.639
where: short stacking energy: -55.095
Base-Backbone interact. energy: -0.018
local terms energy: -61.005025
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -10.582
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -14.840
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -212.013856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.013856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.045579 (E_RNA)
where:
Base-Base interactions energy: -156.371
where: short stacking energy: -58.713
Base-Backbone interact. energy: -0.242
local terms energy: -55.432306
where:
bonds (distance) C4'-P energy: -10.984
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -3.002
tors. eta vs tors. theta energy: -14.922
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: 4
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -160.563423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.563423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.471314 (E_RNA)
where:
Base-Base interactions energy: -116.912
where: short stacking energy: -53.943
Base-Backbone interact. energy: -0.006
local terms energy: -49.553746
where:
bonds (distance) C4'-P energy: -10.175
bonds (distance) P-C4' energy: -10.680
flat angles C4'-P-C4' energy: -11.551
flat angles P-C4'-P energy: -3.365
tors. eta vs tors. theta energy: -13.783
Dist. restrs. and SS energy: 5.908 (S_DIST_RNA)
chem. 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: -165.058234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.058234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.084378 (E_RNA)
where:
Base-Base interactions energy: -124.538
where: short stacking energy: -48.585
Base-Backbone interact. energy: -0.102
local terms energy: -46.444272
where:
bonds (distance) C4'-P energy: -0.942
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -14.455
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -7.926
Dist. restrs. and SS energy: 6.026 (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: 3
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -239.153058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.153058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.239501 (E_RNA)
where:
Base-Base interactions energy: -169.407
where: short stacking energy: -72.524
Base-Backbone interact. energy: -0.136
local terms energy: -69.697319
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -8.034
tors. eta vs tors. theta energy: -17.678
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: 165
Temperature: 0.950000
Total energy: -241.867349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.867349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.912800 (E_RNA)
where:
Base-Base interactions energy: -170.188
where: short stacking energy: -69.426
Base-Backbone interact. energy: -0.213
local terms energy: -71.512410
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -18.848
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: 1
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -216.177942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.177942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.219023 (E_RNA)
where:
Base-Base interactions energy: -156.447
where: short stacking energy: -60.185
Base-Backbone interact. energy: -0.270
local terms energy: -59.502555
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -12.678
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -13.809
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: 2
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -227.308865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.308865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.360130 (E_RNA)
where:
Base-Base interactions energy: -160.205
where: short stacking energy: -57.827
Base-Backbone interact. energy: -0.011
local terms energy: -67.144537
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -3.810
tors. eta vs tors. theta energy: -19.888
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: 5, replica: 8
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -207.757729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.757729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.757729 (E_RNA)
where:
Base-Base interactions energy: -148.307
where: short stacking energy: -67.100
Base-Backbone interact. energy: -0.001
local terms energy: -59.449320
where:
bonds (distance) C4'-P energy: -7.971
bonds (distance) P-C4' energy: -11.630
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -19.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -202.956626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.956626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.115721 (E_RNA)
where:
Base-Base interactions energy: -139.625
where: short stacking energy: -56.088
Base-Backbone interact. energy: -0.074
local terms energy: -63.417299
where:
bonds (distance) C4'-P energy: -11.912
bonds (distance) P-C4' energy: -9.888
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -16.169
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: 7, replica: 9
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -205.580756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.580756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.648009 (E_RNA)
where:
Base-Base interactions energy: -144.550
where: short stacking energy: -55.175
Base-Backbone interact. energy: -0.146
local terms energy: -60.952191
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -9.050
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -14.698
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: 8, replica: 6
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -196.959829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.959829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.961379 (E_RNA)
where:
Base-Base interactions energy: -140.926
where: short stacking energy: -55.746
Base-Backbone interact. energy: -0.004
local terms energy: -56.031467
where:
bonds (distance) C4'-P energy: -9.064
bonds (distance) P-C4' energy: -7.385
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -15.768
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: 9, replica: 4
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -161.959824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.959824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.549400 (E_RNA)
where:
Base-Base interactions energy: -118.611
where: short stacking energy: -47.396
Base-Backbone interact. energy: -0.086
local terms energy: -48.852220
where:
bonds (distance) C4'-P energy: -9.448
bonds (distance) P-C4' energy: -11.684
flat angles C4'-P-C4' energy: -11.818
flat angles P-C4'-P energy: -6.426
tors. eta vs tors. theta energy: -9.476
Dist. restrs. and SS energy: 5.590 (S_DIST_RNA)
chem. 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: -170.564107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.564107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.783433 (E_RNA)
where:
Base-Base interactions energy: -122.708
where: short stacking energy: -52.018
Base-Backbone interact. energy: -0.537
local terms energy: -56.537810
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -10.116
flat angles C4'-P-C4' energy: -12.145
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -13.934
Dist. restrs. and SS energy: 9.219 (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: 10
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -232.961488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.961488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.024884 (E_RNA)
where:
Base-Base interactions energy: -171.344
where: short stacking energy: -67.348
Base-Backbone interact. energy: -0.018
local terms energy: -61.663017
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -4.460
tors. eta vs tors. theta energy: -15.888
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: 166
Temperature: 0.950000
Total energy: -233.327405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.327405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.348711 (E_RNA)
where:
Base-Base interactions energy: -174.353
where: short stacking energy: -67.287
Base-Backbone interact. energy: -0.312
local terms energy: -58.683796
where:
bonds (distance) C4'-P energy: -8.775
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -4.909
tors. eta vs tors. theta energy: -15.345
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: 2
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -218.475547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.475547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.584287 (E_RNA)
where:
Base-Base interactions energy: -157.598
where: short stacking energy: -63.135
Base-Backbone interact. energy: -0.095
local terms energy: -60.891060
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -8.713
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -15.780
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: 1
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -208.934982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.934982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.054053 (E_RNA)
where:
Base-Base interactions energy: -143.392
where: short stacking energy: -62.509
Base-Backbone interact. energy: -0.003
local terms energy: -65.658773
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -10.149
flat angles C4'-P-C4' energy: -12.585
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -18.115
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: 5, replica: 7
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -211.862917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.862917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.942883 (E_RNA)
where:
Base-Base interactions energy: -147.396
where: short stacking energy: -64.872
Base-Backbone interact. energy: -0.002
local terms energy: -64.544252
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -11.371
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -10.561
tors. eta vs tors. theta energy: -17.038
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: 8
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -200.366960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.366960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.452142 (E_RNA)
where:
Base-Base interactions energy: -141.689
where: short stacking energy: -66.626
Base-Backbone interact. energy: -0.067
local terms energy: -58.695841
where:
bonds (distance) C4'-P energy: -13.675
bonds (distance) P-C4' energy: -3.110
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -7.579
tors. eta vs tors. theta energy: -19.383
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: 7, replica: 9
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -205.889309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.889309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.991241 (E_RNA)
where:
Base-Base interactions energy: -137.814
where: short stacking energy: -55.512
Base-Backbone interact. energy: -0.013
local terms energy: -68.164734
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -12.724
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -18.140
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: 6
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -195.940921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.940921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.145715 (E_RNA)
where:
Base-Base interactions energy: -139.585
where: short stacking energy: -57.254
Base-Backbone interact. energy: -0.829
local terms energy: -55.731997
where:
bonds (distance) C4'-P energy: -8.742
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -13.409
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -10.630
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: 5
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -178.412025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.412025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.892423 (E_RNA)
where:
Base-Base interactions energy: -127.885
where: short stacking energy: -53.553
Base-Backbone interact. energy: -0.064
local terms energy: -57.943891
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -10.309
flat angles C4'-P-C4' energy: -11.682
flat angles P-C4'-P energy: -7.638
tors. eta vs tors. theta energy: -15.177
Dist. restrs. and SS energy: 7.480 (S_DIST_RNA)
chem. 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: -173.530334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.530334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.485723 (E_RNA)
where:
Base-Base interactions energy: -128.610
where: short stacking energy: -53.254
Base-Backbone interact. energy: -0.078
local terms energy: -51.798031
where:
bonds (distance) C4'-P energy: -8.244
bonds (distance) P-C4' energy: -9.157
flat angles C4'-P-C4' energy: -11.127
flat angles P-C4'-P energy: -7.113
tors. eta vs tors. theta energy: -16.157
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: 1, replica: 10
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -236.915050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.915050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.952190 (E_RNA)
where:
Base-Base interactions energy: -172.910
where: short stacking energy: -69.051
Base-Backbone interact. energy: -0.301
local terms energy: -63.741834
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -14.444
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -4.186
tors. eta vs tors. theta energy: -17.641
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: 167
Temperature: 0.950000
Total energy: -234.122288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.122288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.124446 (E_RNA)
where:
Base-Base interactions energy: -174.765
where: short stacking energy: -71.348
Base-Backbone interact. energy: -0.007
local terms energy: -59.352659
where:
bonds (distance) C4'-P energy: -10.579
bonds (distance) P-C4' energy: -11.943
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -3.782
tors. eta vs tors. theta energy: -17.262
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: 3
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -229.135575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.135575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.187576 (E_RNA)
where:
Base-Base interactions energy: -163.276
where: short stacking energy: -63.252
Base-Backbone interact. energy: -0.335
local terms energy: -65.576624
where:
bonds (distance) C4'-P energy: -10.978
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -6.601
tors. eta vs tors. theta energy: -17.082
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: 7
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -211.241945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.241945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.245749 (E_RNA)
where:
Base-Base interactions energy: -155.455
where: short stacking energy: -58.125
Base-Backbone interact. energy: -0.003
local terms energy: -55.787728
where:
bonds (distance) C4'-P energy: -14.192
bonds (distance) P-C4' energy: -8.396
flat angles C4'-P-C4' energy: -13.403
flat angles P-C4'-P energy: -6.090
tors. eta vs tors. theta energy: -13.707
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: 1
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -203.652735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.652735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.704870 (E_RNA)
where:
Base-Base interactions energy: -144.436
where: short stacking energy: -53.936
Base-Backbone interact. energy: -0.143
local terms energy: -59.125481
where:
bonds (distance) C4'-P energy: -10.982
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -7.503
tors. eta vs tors. theta energy: -14.071
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: 6, replica: 9
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -215.215145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.215145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.289938 (E_RNA)
where:
Base-Base interactions energy: -158.374
where: short stacking energy: -62.363
Base-Backbone interact. energy: -0.792
local terms energy: -56.123731
where:
bonds (distance) C4'-P energy: -9.409
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -12.015
flat angles P-C4'-P energy: -8.879
tors. eta vs tors. theta energy: -13.083
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: 8
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -208.160866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.160866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.428243 (E_RNA)
where:
Base-Base interactions energy: -139.552
where: short stacking energy: -55.596
Base-Backbone interact. energy: -0.001
local terms energy: -68.875849
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -15.202
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: -14.432
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: 8, replica: 5
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -189.518406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.518406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.346463 (E_RNA)
where:
Base-Base interactions energy: -134.535
where: short stacking energy: -61.766
Base-Backbone interact. energy: -0.000
local terms energy: -61.810778
where:
bonds (distance) C4'-P energy: -11.990
bonds (distance) P-C4' energy: -12.597
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -6.905
tors. eta vs tors. theta energy: -17.632
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: 6
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -196.623150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.623150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.841508 (E_RNA)
where:
Base-Base interactions energy: -139.642
where: short stacking energy: -55.032
Base-Backbone interact. energy: -0.135
local terms energy: -57.064449
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -10.729
flat angles C4'-P-C4' energy: -11.275
flat angles P-C4'-P energy: -6.636
tors. eta vs tors. theta energy: -17.346
Dist. restrs. and SS energy: 0.218 (S_DIST_RNA)
chem. 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: -180.531157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.531157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.085189 (E_RNA)
where:
Base-Base interactions energy: -129.610
where: short stacking energy: -56.890
Base-Backbone interact. energy: -0.469
local terms energy: -57.006110
where:
bonds (distance) C4'-P energy: -10.392
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -9.107
flat angles P-C4'-P energy: -5.681
tors. eta vs tors. theta energy: -18.068
Dist. restrs. and SS energy: 6.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -235.822834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.822834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.884122 (E_RNA)
where:
Base-Base interactions energy: -173.068
where: short stacking energy: -70.279
Base-Backbone interact. energy: -0.003
local terms energy: -62.812904
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -13.656
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -5.435
tors. eta vs tors. theta energy: -17.209
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: 168
Temperature: 0.950000
Total energy: -232.643673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.643673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.655165 (E_RNA)
where:
Base-Base interactions energy: -172.789
where: short stacking energy: -71.390
Base-Backbone interact. energy: -0.029
local terms energy: -59.837213
where:
bonds (distance) C4'-P energy: -11.657
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -3.382
tors. eta vs tors. theta energy: -15.422
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: 3
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -226.351219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.351219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.402845 (E_RNA)
where:
Base-Base interactions energy: -164.961
where: short stacking energy: -71.861
Base-Backbone interact. energy: -0.015
local terms energy: -61.427004
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -11.883
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -3.410
tors. eta vs tors. theta energy: -15.634
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: 7
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -210.992022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.992022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.047108 (E_RNA)
where:
Base-Base interactions energy: -151.550
where: short stacking energy: -64.973
Base-Backbone interact. energy: -0.126
local terms energy: -59.370551
where:
bonds (distance) C4'-P energy: -10.792
bonds (distance) P-C4' energy: -10.533
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: -14.748
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: 9
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -222.894894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.894894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.013129 (E_RNA)
where:
Base-Base interactions energy: -161.533
where: short stacking energy: -65.581
Base-Backbone interact. energy: -0.022
local terms energy: -61.458453
where:
bonds (distance) C4'-P energy: -12.545
bonds (distance) P-C4' energy: -10.673
flat angles C4'-P-C4' energy: -15.474
flat angles P-C4'-P energy: -2.922
tors. eta vs tors. theta energy: -19.845
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: 1
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -202.773254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.773254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.789967 (E_RNA)
where:
Base-Base interactions energy: -139.135
where: short stacking energy: -53.239
Base-Backbone interact. energy: 0.932
local terms energy: -64.587338
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -8.988
flat angles P-C4'-P energy: -11.276
tors. eta vs tors. theta energy: -13.736
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: 5
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -184.182606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.182606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.554470 (E_RNA)
where:
Base-Base interactions energy: -131.453
where: short stacking energy: -50.722
Base-Backbone interact. energy: -1.108
local terms energy: -58.992650
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -11.244
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -11.947
Dist. restrs. and SS energy: 7.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -203.432892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.432892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.778313 (E_RNA)
where:
Base-Base interactions energy: -151.208
where: short stacking energy: -57.137
Base-Backbone interact. energy: 0.082
local terms energy: -52.652073
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -9.916
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -3.851
tors. eta vs tors. theta energy: -14.207
Dist. restrs. and SS energy: 0.345 (S_DIST_RNA)
chem. 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: -170.359583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.359583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.924160 (E_RNA)
where:
Base-Base interactions energy: -121.814
where: short stacking energy: -47.242
Base-Backbone interact. energy: -0.154
local terms energy: -54.955373
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -9.165
flat angles C4'-P-C4' energy: -9.978
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -12.156
Dist. restrs. and SS energy: 6.565 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -190.167461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.167461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.505854 (E_RNA)
where:
Base-Base interactions energy: -132.465
where: short stacking energy: -55.837
Base-Backbone interact. energy: -0.185
local terms energy: -57.856147
where:
bonds (distance) C4'-P energy: -10.012
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -10.859
flat angles P-C4'-P energy: -7.904
tors. eta vs tors. theta energy: -15.341
Dist. restrs. and SS energy: 0.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -240.031823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.031823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.038254 (E_RNA)
where:
Base-Base interactions energy: -178.211
where: short stacking energy: -73.823
Base-Backbone interact. energy: -0.011
local terms energy: -61.815650
where:
bonds (distance) C4'-P energy: -10.435
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -4.940
tors. eta vs tors. theta energy: -17.980
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: 169
Temperature: 0.950000
Total energy: -225.476398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.476398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.512405 (E_RNA)
where:
Base-Base interactions energy: -167.093
where: short stacking energy: -62.677
Base-Backbone interact. energy: -0.016
local terms energy: -58.403177
where:
bonds (distance) C4'-P energy: -13.965
bonds (distance) P-C4' energy: -11.934
flat angles C4'-P-C4' energy: -11.318
flat angles P-C4'-P energy: -5.698
tors. eta vs tors. theta energy: -15.487
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: 3
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -209.479675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.479675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.495826 (E_RNA)
where:
Base-Base interactions energy: -142.642
where: short stacking energy: -59.858
Base-Backbone interact. energy: -0.107
local terms energy: -66.746076
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -13.417
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -17.385
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: 169
Temperature: 1.050000
Total energy: -221.329801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.329801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.329801 (E_RNA)
where:
Base-Base interactions energy: -159.811
where: short stacking energy: -59.931
Base-Backbone interact. energy: -0.500
local terms energy: -61.018738
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -12.598
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: -14.024
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -214.945660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.945660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.108158 (E_RNA)
where:
Base-Base interactions energy: -145.690
where: short stacking energy: -59.806
Base-Backbone interact. energy: -0.008
local terms energy: -69.410715
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -12.547
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -16.448
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: 6, replica: 5
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -190.318820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.318820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.468653 (E_RNA)
where:
Base-Base interactions energy: -132.003
where: short stacking energy: -56.495
Base-Backbone interact. energy: -0.761
local terms energy: -65.704033
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -14.696
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: 7, replica: 1
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -203.152756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.152756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.191216 (E_RNA)
where:
Base-Base interactions energy: -139.963
where: short stacking energy: -58.958
Base-Backbone interact. energy: -0.000
local terms energy: -63.228056
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -12.021
flat angles P-C4'-P energy: -8.544
tors. eta vs tors. theta energy: -16.675
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: 4
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -172.490967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.490967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.338399 (E_RNA)
where:
Base-Base interactions energy: -126.031
where: short stacking energy: -47.810
Base-Backbone interact. energy: -0.300
local terms energy: -54.007580
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -12.091
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -3.292
tors. eta vs tors. theta energy: -12.209
Dist. restrs. and SS energy: 7.847 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -197.135511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.135511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.257265 (E_RNA)
where:
Base-Base interactions energy: -138.773
where: short stacking energy: -58.127
Base-Backbone interact. energy: 0.259
local terms energy: -58.743503
where:
bonds (distance) C4'-P energy: -5.429
bonds (distance) P-C4' energy: -15.741
flat angles C4'-P-C4' energy: -12.068
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -15.263
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: 10, replica: 6
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -189.537175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.537175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.713820 (E_RNA)
where:
Base-Base interactions energy: -134.224
where: short stacking energy: -51.018
Base-Backbone interact. energy: -0.001
local terms energy: -55.488742
where:
bonds (distance) C4'-P energy: -13.773
bonds (distance) P-C4' energy: -11.556
flat angles C4'-P-C4' energy: -12.693
flat angles P-C4'-P energy: -4.919
tors. eta vs tors. theta energy: -12.547
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: 2
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -238.047856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.047856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.064379 (E_RNA)
where:
Base-Base interactions energy: -174.610
where: short stacking energy: -71.319
Base-Backbone interact. energy: -0.590
local terms energy: -62.863597
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -11.747
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -18.444
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: 170
Temperature: 0.950000
Total energy: -234.763474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.763474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.858866 (E_RNA)
where:
Base-Base interactions energy: -168.190
where: short stacking energy: -65.119
Base-Backbone interact. energy: -0.280
local terms energy: -66.389210
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -13.145
flat angles P-C4'-P energy: -6.630
tors. eta vs tors. theta energy: -15.992
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: 9
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -218.914094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.914094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.914418 (E_RNA)
where:
Base-Base interactions energy: -148.320
where: short stacking energy: -62.399
Base-Backbone interact. energy: -0.022
local terms energy: -70.572109
where:
bonds (distance) C4'-P energy: -13.285
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -18.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -210.169716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.169716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.178092 (E_RNA)
where:
Base-Base interactions energy: -141.619
where: short stacking energy: -58.361
Base-Backbone interact. energy: -0.247
local terms energy: -68.311956
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -14.458
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: 170
Temperature: 1.100000
Total energy: -204.222618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.222618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.323160 (E_RNA)
where:
Base-Base interactions energy: -138.881
where: short stacking energy: -55.165
Base-Backbone interact. energy: 1.488
local terms energy: -66.929414
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -12.745
tors. eta vs tors. theta energy: -13.443
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: 6, replica: 5
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -183.521126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.521126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.329855 (E_RNA)
where:
Base-Base interactions energy: -133.138
where: short stacking energy: -55.032
Base-Backbone interact. energy: -0.014
local terms energy: -58.177603
where:
bonds (distance) C4'-P energy: -8.145
bonds (distance) P-C4' energy: -10.517
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -14.930
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: 7, replica: 1
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -202.868824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.868824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.108548 (E_RNA)
where:
Base-Base interactions energy: -145.215
where: short stacking energy: -61.914
Base-Backbone interact. energy: -0.004
local terms energy: -57.889052
where:
bonds (distance) C4'-P energy: -10.476
bonds (distance) P-C4' energy: -9.671
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -6.187
tors. eta vs tors. theta energy: -17.441
Dist. restrs. and SS energy: 0.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -177.191955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.191955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.680579 (E_RNA)
where:
Base-Base interactions energy: -123.644
where: short stacking energy: -48.001
Base-Backbone interact. energy: -0.529
local terms energy: -61.507836
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -10.305
flat angles C4'-P-C4' energy: -11.134
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -15.128
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: 9, replica: 6
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -194.937581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.937581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.024039 (E_RNA)
where:
Base-Base interactions energy: -134.392
where: short stacking energy: -52.656
Base-Backbone interact. energy: -0.035
local terms energy: -60.597002
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -11.948
flat angles C4'-P-C4' energy: -11.081
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: -16.752
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: 10, replica: 8
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -193.541738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.541738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.589524 (E_RNA)
where:
Base-Base interactions energy: -137.599
where: short stacking energy: -56.442
Base-Backbone interact. energy: -0.002
local terms energy: -55.988564
where:
bonds (distance) C4'-P energy: -10.454
bonds (distance) P-C4' energy: -8.106
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -8.193
tors. eta vs tors. theta energy: -15.863
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: 171
Temperature: 0.900000
Total energy: -241.174105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.174105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.187872 (E_RNA)
where:
Base-Base interactions energy: -173.643
where: short stacking energy: -69.451
Base-Backbone interact. energy: -0.198
local terms energy: -67.347308
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -16.565
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: 10
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -232.520116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.520116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.549695 (E_RNA)
where:
Base-Base interactions energy: -165.728
where: short stacking energy: -63.322
Base-Backbone interact. energy: -0.019
local terms energy: -66.802525
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -6.375
tors. eta vs tors. theta energy: -19.623
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: 9
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -207.102288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.102288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.102288 (E_RNA)
where:
Base-Base interactions energy: -145.585
where: short stacking energy: -55.214
Base-Backbone interact. energy: -0.010
local terms energy: -61.507590
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -12.048
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -12.319
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -215.964915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.964915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.170619 (E_RNA)
where:
Base-Base interactions energy: -151.359
where: short stacking energy: -61.938
Base-Backbone interact. energy: -0.043
local terms energy: -64.768536
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -6.118
tors. eta vs tors. theta energy: -16.251
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: 5, replica: 3
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -209.770705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.770705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.843919 (E_RNA)
where:
Base-Base interactions energy: -140.935
where: short stacking energy: -60.212
Base-Backbone interact. energy: -0.000
local terms energy: -68.909150
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -19.082
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: 1
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -206.185729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.185729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.442620 (E_RNA)
where:
Base-Base interactions energy: -148.981
where: short stacking energy: -59.786
Base-Backbone interact. energy: -0.003
local terms energy: -57.458612
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -9.785
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -5.371
tors. eta vs tors. theta energy: -14.797
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: 7, replica: 5
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -195.100178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.100178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.833071 (E_RNA)
where:
Base-Base interactions energy: -142.429
where: short stacking energy: -60.502
Base-Backbone interact. energy: -0.473
local terms energy: -59.931242
where:
bonds (distance) C4'-P energy: -12.071
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -9.606
flat angles P-C4'-P energy: -7.400
tors. eta vs tors. theta energy: -17.214
Dist. restrs. and SS energy: 7.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -202.176132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.176132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.272875 (E_RNA)
where:
Base-Base interactions energy: -136.442
where: short stacking energy: -57.360
Base-Backbone interact. energy: -0.168
local terms energy: -65.663173
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -12.337
flat angles C4'-P-C4' energy: -11.705
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -17.350
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: 4
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -177.515172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.515172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.855304 (E_RNA)
where:
Base-Base interactions energy: -123.872
where: short stacking energy: -52.644
Base-Backbone interact. energy: -0.066
local terms energy: -60.917838
where:
bonds (distance) C4'-P energy: -11.129
bonds (distance) P-C4' energy: -11.662
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -13.837
Dist. restrs. and SS energy: 7.340 (S_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: 171
Temperature: 1.350000
Total energy: -207.148374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.148374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.305582 (E_RNA)
where:
Base-Base interactions energy: -148.783
where: short stacking energy: -64.920
Base-Backbone interact. energy: -0.003
local terms energy: -58.518897
where:
bonds (distance) C4'-P energy: -10.366
bonds (distance) P-C4' energy: -10.253
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -7.909
tors. eta vs tors. theta energy: -16.123
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: 1, replica: 10
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -236.539829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.539829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.579539 (E_RNA)
where:
Base-Base interactions energy: -168.271
where: short stacking energy: -67.939
Base-Backbone interact. energy: -0.019
local terms energy: -68.289390
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -15.502
flat angles P-C4'-P energy: -6.910
tors. eta vs tors. theta energy: -18.968
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: 172
Temperature: 0.950000
Total energy: -238.456171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.456171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.482951 (E_RNA)
where:
Base-Base interactions energy: -172.906
where: short stacking energy: -70.620
Base-Backbone interact. energy: -0.004
local terms energy: -65.573285
where:
bonds (distance) C4'-P energy: -13.045
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -15.174
flat angles P-C4'-P energy: -4.415
tors. eta vs tors. theta energy: -18.379
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: 172
Temperature: 1.000000
Total energy: -226.624122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.624122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.624122 (E_RNA)
where:
Base-Base interactions energy: -170.904
where: short stacking energy: -64.833
Base-Backbone interact. energy: 0.030
local terms energy: -55.750301
where:
bonds (distance) C4'-P energy: -11.482
bonds (distance) P-C4' energy: -9.533
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -5.363
tors. eta vs tors. theta energy: -14.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -214.978177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.978177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.028071 (E_RNA)
where:
Base-Base interactions energy: -148.003
where: short stacking energy: -63.715
Base-Backbone interact. energy: -0.042
local terms energy: -66.983140
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -9.841
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -19.067
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: 1
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -211.900804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.900804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.912409 (E_RNA)
where:
Base-Base interactions energy: -144.686
where: short stacking energy: -58.428
Base-Backbone interact. energy: -0.000
local terms energy: -67.226390
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -17.220
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: 3
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -205.273479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.273479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.466134 (E_RNA)
where:
Base-Base interactions energy: -152.275
where: short stacking energy: -69.050
Base-Backbone interact. energy: 1.817
local terms energy: -55.008149
where:
bonds (distance) C4'-P energy: -11.057
bonds (distance) P-C4' energy: -11.590
flat angles C4'-P-C4' energy: -12.158
flat angles P-C4'-P energy: -5.024
tors. eta vs tors. theta energy: -15.180
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: 7, replica: 6
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -203.267886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.267886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.324716 (E_RNA)
where:
Base-Base interactions energy: -138.191
where: short stacking energy: -54.236
Base-Backbone interact. energy: -0.421
local terms energy: -64.712673
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -10.291
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -14.689
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: 172
Temperature: 1.250000
Total energy: -186.857963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.857963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.125995 (E_RNA)
where:
Base-Base interactions energy: -136.239
where: short stacking energy: -58.216
Base-Backbone interact. energy: 0.245
local terms energy: -59.132614
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -7.595
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -17.314
Dist. restrs. and SS energy: 8.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -199.086928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.086928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.166481 (E_RNA)
where:
Base-Base interactions energy: -157.687
where: short stacking energy: -63.969
Base-Backbone interact. energy: -0.003
local terms energy: -41.476764
where:
bonds (distance) C4'-P energy: -5.255
bonds (distance) P-C4' energy: -8.647
flat angles C4'-P-C4' energy: -8.843
flat angles P-C4'-P energy: -5.418
tors. eta vs tors. theta energy: -13.314
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: 4
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -177.123511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.123511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.574721 (E_RNA)
where:
Base-Base interactions energy: -128.168
where: short stacking energy: -55.335
Base-Backbone interact. energy: -0.064
local terms energy: -56.342401
where:
bonds (distance) C4'-P energy: -9.676
bonds (distance) P-C4' energy: -9.520
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -5.420
tors. eta vs tors. theta energy: -16.806
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: 1, replica: 10
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -233.741086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.741086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.741086 (E_RNA)
where:
Base-Base interactions energy: -169.596
where: short stacking energy: -64.803
Base-Backbone interact. energy: -0.349
local terms energy: -63.796246
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -6.684
tors. eta vs tors. theta energy: -17.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -235.103579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.103579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.103579 (E_RNA)
where:
Base-Base interactions energy: -170.524
where: short stacking energy: -65.801
Base-Backbone interact. energy: -0.024
local terms energy: -64.555263
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -6.109
tors. eta vs tors. theta energy: -18.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -207.662971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.662971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.662971 (E_RNA)
where:
Base-Base interactions energy: -143.341
where: short stacking energy: -55.516
Base-Backbone interact. energy: -0.128
local terms energy: -64.194750
where:
bonds (distance) C4'-P energy: -12.114
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -8.695
tors. eta vs tors. theta energy: -13.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -212.908761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.908761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.042817 (E_RNA)
where:
Base-Base interactions energy: -149.699
where: short stacking energy: -57.737
Base-Backbone interact. energy: -0.134
local terms energy: -63.210300
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -14.126
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: 9
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -209.431064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.431064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.431064 (E_RNA)
where:
Base-Base interactions energy: -140.161
where: short stacking energy: -58.238
Base-Backbone interact. energy: -0.295
local terms energy: -68.974774
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -7.469
tors. eta vs tors. theta energy: -18.043
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -199.787999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.787999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.815049 (E_RNA)
where:
Base-Base interactions energy: -146.558
where: short stacking energy: -59.411
Base-Backbone interact. energy: -0.004
local terms energy: -53.252746
where:
bonds (distance) C4'-P energy: -6.310
bonds (distance) P-C4' energy: -7.495
flat angles C4'-P-C4' energy: -13.066
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -14.249
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: 3
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -212.193327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.193327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.193327 (E_RNA)
where:
Base-Base interactions energy: -148.241
where: short stacking energy: -62.162
Base-Backbone interact. energy: 0.228
local terms energy: -64.180486
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -11.236
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -9.202
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: 8, replica: 8
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -205.092119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.092119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.095787 (E_RNA)
where:
Base-Base interactions energy: -141.620
where: short stacking energy: -63.687
Base-Backbone interact. energy: -0.010
local terms energy: -63.466378
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -15.045
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: 173
Temperature: 1.300000
Total energy: -181.734437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.734437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.108237 (E_RNA)
where:
Base-Base interactions energy: -137.349
where: short stacking energy: -56.791
Base-Backbone interact. energy: -0.072
local terms energy: -51.687219
where:
bonds (distance) C4'-P energy: -12.255
bonds (distance) P-C4' energy: -10.908
flat angles C4'-P-C4' energy: -9.332
flat angles P-C4'-P energy: -3.923
tors. eta vs tors. theta energy: -15.269
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: 173
Temperature: 1.350000
Total energy: -175.678236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.678236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.705893 (E_RNA)
where:
Base-Base interactions energy: -124.917
where: short stacking energy: -54.211
Base-Backbone interact. energy: -0.268
local terms energy: -58.520971
where:
bonds (distance) C4'-P energy: -8.294
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -12.146
flat angles P-C4'-P energy: -6.321
tors. eta vs tors. theta energy: -17.294
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: 1, replica: 2
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -238.682899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.682899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.682899 (E_RNA)
where:
Base-Base interactions energy: -174.061
where: short stacking energy: -70.988
Base-Backbone interact. energy: -0.089
local terms energy: -64.533382
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -11.943
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -16.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -238.092258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.092258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.130391 (E_RNA)
where:
Base-Base interactions energy: -171.163
where: short stacking energy: -68.157
Base-Backbone interact. energy: -0.064
local terms energy: -66.903581
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -8.216
tors. eta vs tors. theta energy: -17.006
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: 174
Temperature: 1.000000
Total energy: -226.155432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.155432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.220315 (E_RNA)
where:
Base-Base interactions energy: -168.362
where: short stacking energy: -65.512
Base-Backbone interact. energy: -0.174
local terms energy: -57.684424
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -12.427
flat angles C4'-P-C4' energy: -13.321
flat angles P-C4'-P energy: -2.940
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: 1
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -211.587048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.587048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.594505 (E_RNA)
where:
Base-Base interactions energy: -147.544
where: short stacking energy: -61.449
Base-Backbone interact. energy: -0.005
local terms energy: -64.045118
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -8.417
tors. eta vs tors. theta energy: -16.670
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: 174
Temperature: 1.100000
Total energy: -200.100878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.100878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.263958 (E_RNA)
where:
Base-Base interactions energy: -140.712
where: short stacking energy: -52.821
Base-Backbone interact. energy: -0.014
local terms energy: -59.538316
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -12.052
flat angles P-C4'-P energy: -6.178
tors. eta vs tors. theta energy: -13.418
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: 6, replica: 9
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -210.080495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.080495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.143556 (E_RNA)
where:
Base-Base interactions energy: -139.572
where: short stacking energy: -59.635
Base-Backbone interact. energy: -0.122
local terms energy: -70.450348
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -17.216
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: 174
Temperature: 1.200000
Total energy: -198.371111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.371111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.455082 (E_RNA)
where:
Base-Base interactions energy: -140.920
where: short stacking energy: -53.680
Base-Backbone interact. energy: -0.023
local terms energy: -57.512094
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -11.677
flat angles P-C4'-P energy: -3.249
tors. eta vs tors. theta energy: -14.206
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: 3
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -200.783644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.783644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.979579 (E_RNA)
where:
Base-Base interactions energy: -142.456
where: short stacking energy: -62.318
Base-Backbone interact. energy: -0.005
local terms energy: -58.519242
where:
bonds (distance) C4'-P energy: -9.152
bonds (distance) P-C4' energy: -10.080
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -16.119
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: 9, replica: 4
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -178.018377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.018377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.031469 (E_RNA)
where:
Base-Base interactions energy: -127.239
where: short stacking energy: -50.638
Base-Backbone interact. energy: -0.077
local terms energy: -58.715820
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -11.043
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -12.481
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: 10, replica: 5
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -185.030611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.030611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.486522 (E_RNA)
where:
Base-Base interactions energy: -134.714
where: short stacking energy: -59.644
Base-Backbone interact. energy: -0.009
local terms energy: -57.763224
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -8.125
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -4.445
tors. eta vs tors. theta energy: -18.481
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: 1, replica: 2
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -235.729251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.729251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.747688 (E_RNA)
where:
Base-Base interactions energy: -168.615
where: short stacking energy: -68.169
Base-Backbone interact. energy: -0.110
local terms energy: -67.022547
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -6.412
tors. eta vs tors. theta energy: -17.906
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: 2, replica: 7
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -225.775910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.775910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.877485 (E_RNA)
where:
Base-Base interactions energy: -166.599
where: short stacking energy: -66.781
Base-Backbone interact. energy: -0.283
local terms energy: -58.995607
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -12.533
flat angles P-C4'-P energy: -6.518
tors. eta vs tors. theta energy: -16.643
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: 10
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -230.257859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.257859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.282423 (E_RNA)
where:
Base-Base interactions energy: -163.801
where: short stacking energy: -64.843
Base-Backbone interact. energy: -0.018
local terms energy: -66.462888
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -6.803
tors. eta vs tors. theta energy: -16.216
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: 4, replica: 6
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -219.727609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.727609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.727609 (E_RNA)
where:
Base-Base interactions energy: -156.206
where: short stacking energy: -65.756
Base-Backbone interact. energy: -0.001
local terms energy: -63.520539
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -5.798
tors. eta vs tors. theta energy: -17.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -199.078940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.078940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.177609 (E_RNA)
where:
Base-Base interactions energy: -136.497
where: short stacking energy: -52.240
Base-Backbone interact. energy: -0.713
local terms energy: -61.968151
where:
bonds (distance) C4'-P energy: -10.141
bonds (distance) P-C4' energy: -12.115
flat angles C4'-P-C4' energy: -16.069
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -14.424
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: 175
Temperature: 1.150000
Total energy: -198.596165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.596165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.605625 (E_RNA)
where:
Base-Base interactions energy: -141.400
where: short stacking energy: -55.008
Base-Backbone interact. energy: -0.011
local terms energy: -57.194925
where:
bonds (distance) C4'-P energy: -9.519
bonds (distance) P-C4' energy: -11.370
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -7.481
tors. eta vs tors. theta energy: -16.001
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: 175
Temperature: 1.200000
Total energy: -198.175082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.175082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.175082 (E_RNA)
where:
Base-Base interactions energy: -141.687
where: short stacking energy: -54.631
Base-Backbone interact. energy: -0.500
local terms energy: -55.987844
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -12.605
flat angles C4'-P-C4' energy: -9.023
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -14.357
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -195.420543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.420543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.557044 (E_RNA)
where:
Base-Base interactions energy: -132.010
where: short stacking energy: -53.562
Base-Backbone interact. energy: -0.913
local terms energy: -62.633393
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -10.649
flat angles P-C4'-P energy: -13.067
tors. eta vs tors. theta energy: -12.318
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: 4
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -184.517439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.517439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.681651 (E_RNA)
where:
Base-Base interactions energy: -134.697
where: short stacking energy: -58.391
Base-Backbone interact. energy: -0.278
local terms energy: -56.706691
where:
bonds (distance) C4'-P energy: -9.457
bonds (distance) P-C4' energy: -9.085
flat angles C4'-P-C4' energy: -11.669
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: -16.904
Dist. restrs. and SS energy: 7.164 (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: 5
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -171.630114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.630114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.166060 (E_RNA)
where:
Base-Base interactions energy: -116.586
where: short stacking energy: -47.965
Base-Backbone interact. energy: -0.000
local terms energy: -62.579835
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -7.228
tors. eta vs tors. theta energy: -17.421
Dist. restrs. and SS energy: 7.536 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -238.335295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.335295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.370356 (E_RNA)
where:
Base-Base interactions energy: -175.521
where: short stacking energy: -72.553
Base-Backbone interact. energy: -0.065
local terms energy: -62.784110
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -12.686
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -6.546
tors. eta vs tors. theta energy: -17.324
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: 176
Temperature: 0.950000
Total energy: -227.756659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.756659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.817394 (E_RNA)
where:
Base-Base interactions energy: -168.942
where: short stacking energy: -66.929
Base-Backbone interact. energy: -0.291
local terms energy: -58.584342
where:
bonds (distance) C4'-P energy: -6.928
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -5.928
tors. eta vs tors. theta energy: -17.046
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: 176
Temperature: 1.000000
Total energy: -218.658876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.658876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.821806 (E_RNA)
where:
Base-Base interactions energy: -159.646
where: short stacking energy: -67.460
Base-Backbone interact. energy: -0.020
local terms energy: -59.155496
where:
bonds (distance) C4'-P energy: -10.708
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -4.356
tors. eta vs tors. theta energy: -14.849
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: 10
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -214.050314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.050314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.050314 (E_RNA)
where:
Base-Base interactions energy: -154.958
where: short stacking energy: -58.548
Base-Backbone interact. energy: -0.011
local terms energy: -59.081030
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -9.609
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -5.451
tors. eta vs tors. theta energy: -15.817
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: 5, replica: 1
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -201.131554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.131554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.202140 (E_RNA)
where:
Base-Base interactions energy: -140.631
where: short stacking energy: -56.201
Base-Backbone interact. energy: -0.061
local terms energy: -60.509706
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -9.741
flat angles C4'-P-C4' energy: -12.447
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -15.551
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: 8
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -203.144180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.144180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.371898 (E_RNA)
where:
Base-Base interactions energy: -142.805
where: short stacking energy: -59.660
Base-Backbone interact. energy: -0.240
local terms energy: -60.326244
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -4.187
tors. eta vs tors. theta energy: -17.056
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: 7, replica: 3
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -194.868969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.868969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.957882 (E_RNA)
where:
Base-Base interactions energy: -136.713
where: short stacking energy: -53.716
Base-Backbone interact. energy: 0.336
local terms energy: -58.581023
where:
bonds (distance) C4'-P energy: -7.941
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -14.813
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: 9
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -202.931152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.931152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.002113 (E_RNA)
where:
Base-Base interactions energy: -141.842
where: short stacking energy: -57.535
Base-Backbone interact. energy: -0.000
local terms energy: -61.160206
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -11.980
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -6.748
tors. eta vs tors. theta energy: -16.155
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: 9, replica: 5
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -174.232320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.232320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.338026 (E_RNA)
where:
Base-Base interactions energy: -125.629
where: short stacking energy: -51.980
Base-Backbone interact. energy: -0.563
local terms energy: -54.146094
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -7.923
flat angles C4'-P-C4' energy: -9.012
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -13.205
Dist. restrs. and SS energy: 6.106 (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: 4
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -175.912858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.912858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.949517 (E_RNA)
where:
Base-Base interactions energy: -121.986
where: short stacking energy: -50.888
Base-Backbone interact. energy: -0.514
local terms energy: -61.450406
where:
bonds (distance) C4'-P energy: -10.029
bonds (distance) P-C4' energy: -14.465
flat angles C4'-P-C4' energy: -12.031
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: -17.247
Dist. restrs. and SS energy: 8.037 (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: 2
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -234.507010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.507010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.630558 (E_RNA)
where:
Base-Base interactions energy: -170.887
where: short stacking energy: -68.896
Base-Backbone interact. energy: -0.022
local terms energy: -63.720899
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -6.311
tors. eta vs tors. theta energy: -16.410
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: 2, replica: 6
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -218.669766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.669766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.669766 (E_RNA)
where:
Base-Base interactions energy: -160.218
where: short stacking energy: -61.662
Base-Backbone interact. energy: -0.012
local terms energy: -58.439408
where:
bonds (distance) C4'-P energy: -11.526
bonds (distance) P-C4' energy: -11.211
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -15.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -222.502994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.502994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.577431 (E_RNA)
where:
Base-Base interactions energy: -161.074
where: short stacking energy: -64.377
Base-Backbone interact. energy: -0.000
local terms energy: -61.502827
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -4.486
tors. eta vs tors. theta energy: -14.060
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: 1
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -211.264170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.264170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.307049 (E_RNA)
where:
Base-Base interactions energy: -145.670
where: short stacking energy: -58.339
Base-Backbone interact. energy: -0.289
local terms energy: -65.348240
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -7.048
tors. eta vs tors. theta energy: -16.897
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: 177
Temperature: 1.100000
Total energy: -205.506307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.506307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.523451 (E_RNA)
where:
Base-Base interactions energy: -139.852
where: short stacking energy: -49.976
Base-Backbone interact. energy: -0.009
local terms energy: -65.662604
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -14.617
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: 3
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -207.934014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.934014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.942748 (E_RNA)
where:
Base-Base interactions energy: -144.252
where: short stacking energy: -56.743
Base-Backbone interact. energy: -0.081
local terms energy: -63.609865
where:
bonds (distance) C4'-P energy: -11.918
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -8.100
tors. eta vs tors. theta energy: -15.297
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: 177
Temperature: 1.200000
Total energy: -202.121286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.121286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.164177 (E_RNA)
where:
Base-Base interactions energy: -140.350
where: short stacking energy: -58.922
Base-Backbone interact. energy: -0.014
local terms energy: -61.799772
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -11.573
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -7.546
tors. eta vs tors. theta energy: -17.026
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: 9
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -195.747663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.747663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.903374 (E_RNA)
where:
Base-Base interactions energy: -135.205
where: short stacking energy: -57.971
Base-Backbone interact. energy: -0.024
local terms energy: -60.674438
where:
bonds (distance) C4'-P energy: -9.577
bonds (distance) P-C4' energy: -10.936
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -12.244
tors. eta vs tors. theta energy: -14.520
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: 177
Temperature: 1.300000
Total energy: -176.443853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.443853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.662493 (E_RNA)
where:
Base-Base interactions energy: -122.839
where: short stacking energy: -47.990
Base-Backbone interact. energy: -0.132
local terms energy: -62.691528
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -7.109
tors. eta vs tors. theta energy: -14.509
Dist. restrs. and SS energy: 9.219 (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: 4
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -175.979060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.979060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.262614 (E_RNA)
where:
Base-Base interactions energy: -135.826
where: short stacking energy: -57.692
Base-Backbone interact. energy: -0.125
local terms energy: -48.311589
where:
bonds (distance) C4'-P energy: -3.406
bonds (distance) P-C4' energy: -7.796
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -7.031
tors. eta vs tors. theta energy: -15.330
Dist. restrs. and SS energy: 8.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -235.418391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.418391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.488416 (E_RNA)
where:
Base-Base interactions energy: -171.049
where: short stacking energy: -67.869
Base-Backbone interact. energy: -0.654
local terms energy: -63.785562
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -6.120
tors. eta vs tors. theta energy: -16.529
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: 6
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -213.890300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.890300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.914024 (E_RNA)
where:
Base-Base interactions energy: -157.933
where: short stacking energy: -64.720
Base-Backbone interact. energy: 1.953
local terms energy: -57.934618
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -4.021
tors. eta vs tors. theta energy: -13.871
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: 178
Temperature: 1.000000
Total energy: -220.991396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.991396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.119672 (E_RNA)
where:
Base-Base interactions energy: -152.904
where: short stacking energy: -65.638
Base-Backbone interact. energy: -0.320
local terms energy: -67.895059
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -12.349
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -11.777
tors. eta vs tors. theta energy: -15.844
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: 7
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -211.751094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.751094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.757088 (E_RNA)
where:
Base-Base interactions energy: -146.675
where: short stacking energy: -57.254
Base-Backbone interact. energy: -0.321
local terms energy: -64.761501
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -14.041
flat angles P-C4'-P energy: -7.404
tors. eta vs tors. theta energy: -16.340
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: 10
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -220.209076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.209076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.272239 (E_RNA)
where:
Base-Base interactions energy: -159.899
where: short stacking energy: -61.307
Base-Backbone interact. energy: -0.785
local terms energy: -59.588339
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -11.939
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -4.072
tors. eta vs tors. theta energy: -16.126
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: 178
Temperature: 1.150000
Total energy: -205.316641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.316641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.360685 (E_RNA)
where:
Base-Base interactions energy: -141.002
where: short stacking energy: -60.816
Base-Backbone interact. energy: 0.173
local terms energy: -64.531767
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -12.048
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -15.616
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: 9
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -200.337622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.337622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.536938 (E_RNA)
where:
Base-Base interactions energy: -138.958
where: short stacking energy: -56.355
Base-Backbone interact. energy: -0.422
local terms energy: -61.156800
where:
bonds (distance) C4'-P energy: -12.884
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -10.057
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -13.761
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: 8, replica: 8
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -204.896810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.896810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.936856 (E_RNA)
where:
Base-Base interactions energy: -141.074
where: short stacking energy: -57.583
Base-Backbone interact. energy: -0.000
local terms energy: -63.862946
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -12.985
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -14.719
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: 178
Temperature: 1.300000
Total energy: -176.768473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.768473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.277611 (E_RNA)
where:
Base-Base interactions energy: -123.069
where: short stacking energy: -51.778
Base-Backbone interact. energy: -0.182
local terms energy: -62.026573
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -2.956
tors. eta vs tors. theta energy: -15.845
Dist. restrs. and SS energy: 8.509 (S_DIST_RNA)
chem. 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: -175.207858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.207858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.815686 (E_RNA)
where:
Base-Base interactions energy: -123.849
where: short stacking energy: -52.892
Base-Backbone interact. energy: -0.007
local terms energy: -57.958949
where:
bonds (distance) C4'-P energy: -10.206
bonds (distance) P-C4' energy: -10.587
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -11.413
tors. eta vs tors. theta energy: -11.461
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: 1, replica: 2
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -232.439723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.439723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.492113 (E_RNA)
where:
Base-Base interactions energy: -171.043
where: short stacking energy: -67.803
Base-Backbone interact. energy: -0.227
local terms energy: -61.222331
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -12.500
flat angles C4'-P-C4' energy: -15.158
flat angles P-C4'-P energy: -3.776
tors. eta vs tors. theta energy: -15.962
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: 1
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -223.449239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.449239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.489130 (E_RNA)
where:
Base-Base interactions energy: -155.546
where: short stacking energy: -65.906
Base-Backbone interact. energy: -0.000
local terms energy: -67.942643
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -12.831
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -11.404
tors. eta vs tors. theta energy: -16.793
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: 179
Temperature: 1.000000
Total energy: -210.820296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.820296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.933053 (E_RNA)
where:
Base-Base interactions energy: -156.384
where: short stacking energy: -59.050
Base-Backbone interact. energy: -0.538
local terms energy: -54.010641
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -10.719
flat angles P-C4'-P energy: -5.035
tors. eta vs tors. theta energy: -13.268
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: 4, replica: 10
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -230.168415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.168415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.214849 (E_RNA)
where:
Base-Base interactions energy: -169.121
where: short stacking energy: -64.507
Base-Backbone interact. energy: -0.035
local terms energy: -61.058497
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: -2.106
tors. eta vs tors. theta energy: -16.182
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: 5, replica: 7
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -219.372071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.372071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.408903 (E_RNA)
where:
Base-Base interactions energy: -157.176
where: short stacking energy: -61.732
Base-Backbone interact. energy: 0.468
local terms energy: -62.701447
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -10.517
flat angles P-C4'-P energy: -7.432
tors. eta vs tors. theta energy: -17.252
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: 179
Temperature: 1.150000
Total energy: -208.351448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.351448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.361342 (E_RNA)
where:
Base-Base interactions energy: -147.096
where: short stacking energy: -56.834
Base-Backbone interact. energy: 0.096
local terms energy: -61.361143
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -4.153
tors. eta vs tors. theta energy: -17.705
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: 3
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -207.053010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.053010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.083937 (E_RNA)
where:
Base-Base interactions energy: -143.946
where: short stacking energy: -56.196
Base-Backbone interact. energy: -0.484
local terms energy: -62.653621
where:
bonds (distance) C4'-P energy: -9.496
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -7.540
tors. eta vs tors. theta energy: -17.333
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: 179
Temperature: 1.250000
Total energy: -189.107658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.107658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.343819 (E_RNA)
where:
Base-Base interactions energy: -136.172
where: short stacking energy: -61.393
Base-Backbone interact. energy: -0.242
local terms energy: -59.929599
where:
bonds (distance) C4'-P energy: -8.219
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -7.177
tors. eta vs tors. theta energy: -16.770
Dist. restrs. and SS energy: 7.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -200.346472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.346472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.378901 (E_RNA)
where:
Base-Base interactions energy: -140.225
where: short stacking energy: -56.204
Base-Backbone interact. energy: -0.831
local terms energy: -59.323419
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -8.440
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -6.472
tors. eta vs tors. theta energy: -15.163
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: 179
Temperature: 1.350000
Total energy: -180.740413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.740413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.090923 (E_RNA)
where:
Base-Base interactions energy: -124.939
where: short stacking energy: -53.233
Base-Backbone interact. energy: -0.490
local terms energy: -62.661328
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -8.043
tors. eta vs tors. theta energy: -15.584
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: 1, replica: 2
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -236.994698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.994698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.112848 (E_RNA)
where:
Base-Base interactions energy: -176.798
where: short stacking energy: -70.785
Base-Backbone interact. energy: -0.015
local terms energy: -60.299267
where:
bonds (distance) C4'-P energy: -8.104
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -5.018
tors. eta vs tors. theta energy: -17.519
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: 1
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -222.138179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.138179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.364787 (E_RNA)
where:
Base-Base interactions energy: -160.109
where: short stacking energy: -67.188
Base-Backbone interact. energy: -0.609
local terms energy: -61.646988
where:
bonds (distance) C4'-P energy: -11.665
bonds (distance) P-C4' energy: -9.632
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -7.274
tors. eta vs tors. theta energy: -19.304
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: 3, replica: 10
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -224.288429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.288429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.434845 (E_RNA)
where:
Base-Base interactions energy: -164.360
where: short stacking energy: -64.855
Base-Backbone interact. energy: -0.003
local terms energy: -60.072229
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -4.560
tors. eta vs tors. theta energy: -17.377
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: 4, replica: 6
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -214.065291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.065291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.165060 (E_RNA)
where:
Base-Base interactions energy: -163.037
where: short stacking energy: -62.814
Base-Backbone interact. energy: -0.001
local terms energy: -51.127315
where:
bonds (distance) C4'-P energy: -10.381
bonds (distance) P-C4' energy: -11.465
flat angles C4'-P-C4' energy: -12.902
flat angles P-C4'-P energy: -5.107
tors. eta vs tors. theta energy: -11.273
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: 9
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -216.077347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.077347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.297347 (E_RNA)
where:
Base-Base interactions energy: -157.967
where: short stacking energy: -57.538
Base-Backbone interact. energy: -0.249
local terms energy: -58.081713
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -11.199
flat angles C4'-P-C4' energy: -15.573
flat angles P-C4'-P energy: -2.363
tors. eta vs tors. theta energy: -15.739
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: 6, replica: 7
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -206.608694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.608694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.680433 (E_RNA)
where:
Base-Base interactions energy: -144.148
where: short stacking energy: -60.288
Base-Backbone interact. energy: -0.000
local terms energy: -62.531765
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -12.256
flat angles C4'-P-C4' energy: -11.401
flat angles P-C4'-P energy: -9.125
tors. eta vs tors. theta energy: -17.055
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: 180
Temperature: 1.200000
Total energy: -182.981189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.981189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.615156 (E_RNA)
where:
Base-Base interactions energy: -128.501
where: short stacking energy: -54.167
Base-Backbone interact. energy: -0.085
local terms energy: -62.029004
where:
bonds (distance) C4'-P energy: -12.218
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -7.243
tors. eta vs tors. theta energy: -16.681
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: 8, replica: 3
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -201.509035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.509035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.510577 (E_RNA)
where:
Base-Base interactions energy: -141.003
where: short stacking energy: -51.873
Base-Backbone interact. energy: -0.334
local terms energy: -60.173076
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -11.816
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -7.759
tors. eta vs tors. theta energy: -13.670
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: 9, replica: 5
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -188.938341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.938341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.522457 (E_RNA)
where:
Base-Base interactions energy: -135.868
where: short stacking energy: -60.598
Base-Backbone interact. energy: -1.488
local terms energy: -59.166412
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -5.215
tors. eta vs tors. theta energy: -15.526
Dist. restrs. and SS energy: 7.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -194.805857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.805857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.008165 (E_RNA)
where:
Base-Base interactions energy: -141.431
where: short stacking energy: -58.339
Base-Backbone interact. energy: -0.298
local terms energy: -53.279470
where:
bonds (distance) C4'-P energy: -10.367
bonds (distance) P-C4' energy: -10.970
flat angles C4'-P-C4' energy: -8.524
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -14.243
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: 1, replica: 2
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -236.867498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.867498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.952279 (E_RNA)
where:
Base-Base interactions energy: -172.643
where: short stacking energy: -68.790
Base-Backbone interact. energy: -0.215
local terms energy: -64.094338
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -5.307
tors. eta vs tors. theta energy: -16.532
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: 10
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -218.695414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.695414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.777052 (E_RNA)
where:
Base-Base interactions energy: -149.432
where: short stacking energy: -63.880
Base-Backbone interact. energy: -0.223
local terms energy: -69.122252
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -16.086
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: 1
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -215.522035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.522035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.522035 (E_RNA)
where:
Base-Base interactions energy: -151.132
where: short stacking energy: -59.424
Base-Backbone interact. energy: -0.628
local terms energy: -63.762714
where:
bonds (distance) C4'-P energy: -9.205
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -16.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -215.245001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.245001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.260671 (E_RNA)
where:
Base-Base interactions energy: -156.660
where: short stacking energy: -63.209
Base-Backbone interact. energy: -0.001
local terms energy: -58.599704
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -9.056
flat angles C4'-P-C4' energy: -12.492
flat angles P-C4'-P energy: -6.390
tors. eta vs tors. theta energy: -18.026
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: 6
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -218.454061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.454061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.508912 (E_RNA)
where:
Base-Base interactions energy: -164.270
where: short stacking energy: -62.633
Base-Backbone interact. energy: -0.018
local terms energy: -54.220417
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -12.984
flat angles C4'-P-C4' energy: -10.520
flat angles P-C4'-P energy: -0.743
tors. eta vs tors. theta energy: -17.602
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: 7
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -205.651513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.651513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.671416 (E_RNA)
where:
Base-Base interactions energy: -137.343
where: short stacking energy: -55.757
Base-Backbone interact. energy: -0.328
local terms energy: -67.999858
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -14.435
flat angles P-C4'-P energy: -7.425
tors. eta vs tors. theta energy: -19.424
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: 4
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -180.117316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.117316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.524011 (E_RNA)
where:
Base-Base interactions energy: -126.759
where: short stacking energy: -51.132
Base-Backbone interact. energy: 1.333
local terms energy: -62.098005
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -12.313
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -13.113
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: 8, replica: 5
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -186.604623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.604623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.914729 (E_RNA)
where:
Base-Base interactions energy: -130.877
where: short stacking energy: -50.317
Base-Backbone interact. energy: -0.243
local terms energy: -62.794543
where:
bonds (distance) C4'-P energy: -9.377
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -16.120
Dist. restrs. and SS energy: 7.310 (S_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: 181
Temperature: 1.300000
Total energy: -192.382952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.382952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.523538 (E_RNA)
where:
Base-Base interactions energy: -140.577
where: short stacking energy: -51.428
Base-Backbone interact. energy: -0.101
local terms energy: -51.845651
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -10.693
flat angles C4'-P-C4' energy: -8.799
flat angles P-C4'-P energy: -4.867
tors. eta vs tors. theta energy: -15.967
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: 8
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -188.412940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.412940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.533449 (E_RNA)
where:
Base-Base interactions energy: -132.759
where: short stacking energy: -53.326
Base-Backbone interact. energy: 0.386
local terms energy: -56.160609
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -8.756
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -14.238
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: 2
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -232.946788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.946788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.946788 (E_RNA)
where:
Base-Base interactions energy: -171.675
where: short stacking energy: -68.565
Base-Backbone interact. energy: -0.009
local terms energy: -61.263565
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -4.345
tors. eta vs tors. theta energy: -15.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -210.493054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.493054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.506852 (E_RNA)
where:
Base-Base interactions energy: -143.109
where: short stacking energy: -57.251
Base-Backbone interact. energy: -0.617
local terms energy: -66.781085
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -15.874
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: 3, replica: 9
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -216.361926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.361926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.380348 (E_RNA)
where:
Base-Base interactions energy: -160.293
where: short stacking energy: -62.058
Base-Backbone interact. energy: -0.003
local terms energy: -56.083838
where:
bonds (distance) C4'-P energy: -8.158
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -10.826
flat angles P-C4'-P energy: -7.816
tors. eta vs tors. theta energy: -16.313
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: 182
Temperature: 1.050000
Total energy: -208.846307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.846307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.846307 (E_RNA)
where:
Base-Base interactions energy: -142.293
where: short stacking energy: -58.755
Base-Backbone interact. energy: -0.002
local terms energy: -66.551987
where:
bonds (distance) C4'-P energy: -12.921
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -12.508
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -16.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -208.839241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.839241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.091756 (E_RNA)
where:
Base-Base interactions energy: -147.551
where: short stacking energy: -61.231
Base-Backbone interact. energy: -0.010
local terms energy: -61.531010
where:
bonds (distance) C4'-P energy: -10.360
bonds (distance) P-C4' energy: -14.121
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -15.463
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: 6, replica: 6
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -200.462547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.462547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.515404 (E_RNA)
where:
Base-Base interactions energy: -146.051
where: short stacking energy: -60.017
Base-Backbone interact. energy: -0.004
local terms energy: -54.459948
where:
bonds (distance) C4'-P energy: -12.375
bonds (distance) P-C4' energy: -8.460
flat angles C4'-P-C4' energy: -10.579
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -14.115
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: 182
Temperature: 1.200000
Total energy: -201.560333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.560333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.193364 (E_RNA)
where:
Base-Base interactions energy: -141.400
where: short stacking energy: -58.729
Base-Backbone interact. energy: -0.002
local terms energy: -67.792329
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -12.959
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -16.269
Dist. restrs. and SS energy: 7.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -182.062205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.062205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.946137 (E_RNA)
where:
Base-Base interactions energy: -133.503
where: short stacking energy: -58.315
Base-Backbone interact. energy: -0.027
local terms energy: -54.416800
where:
bonds (distance) C4'-P energy: -8.812
bonds (distance) P-C4' energy: -8.809
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -3.629
tors. eta vs tors. theta energy: -19.200
Dist. restrs. and SS energy: 5.884 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -189.732633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.732633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.815246 (E_RNA)
where:
Base-Base interactions energy: -132.700
where: short stacking energy: -54.258
Base-Backbone interact. energy: -0.481
local terms energy: -56.634371
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -11.722
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -6.768
tors. eta vs tors. theta energy: -12.278
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: 10, replica: 3
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -185.691961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.691961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.738894 (E_RNA)
where:
Base-Base interactions energy: -127.397
where: short stacking energy: -43.977
Base-Backbone interact. energy: 0.096
local terms energy: -58.437499
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -11.493
flat angles C4'-P-C4' energy: -11.584
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -12.354
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: 1, replica: 2
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -231.479358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.479358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.523646 (E_RNA)
where:
Base-Base interactions energy: -172.921
where: short stacking energy: -68.781
Base-Backbone interact. energy: -0.005
local terms energy: -58.598357
where:
bonds (distance) C4'-P energy: -11.144
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -4.646
tors. eta vs tors. theta energy: -15.549
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: 10
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -223.516945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.516945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.516945 (E_RNA)
where:
Base-Base interactions energy: -150.231
where: short stacking energy: -67.152
Base-Backbone interact. energy: -0.005
local terms energy: -73.280943
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -12.274
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -19.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -215.304734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.304734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.304734 (E_RNA)
where:
Base-Base interactions energy: -151.220
where: short stacking energy: -62.505
Base-Backbone interact. energy: -0.002
local terms energy: -64.082919
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -9.773
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -16.676
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -205.555163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.555163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.728433 (E_RNA)
where:
Base-Base interactions energy: -148.102
where: short stacking energy: -58.787
Base-Backbone interact. energy: -0.028
local terms energy: -57.597724
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -7.895
flat angles P-C4'-P energy: -6.470
tors. eta vs tors. theta energy: -14.872
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: 5, replica: 1
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -207.349229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.349229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.349229 (E_RNA)
where:
Base-Base interactions energy: -150.776
where: short stacking energy: -61.897
Base-Backbone interact. energy: -0.291
local terms energy: -56.282374
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -11.412
flat angles C4'-P-C4' energy: -9.155
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -14.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -199.023090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.023090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.552975 (E_RNA)
where:
Base-Base interactions energy: -146.230
where: short stacking energy: -63.645
Base-Backbone interact. energy: -0.597
local terms energy: -59.725789
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -12.422
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -7.063
tors. eta vs tors. theta energy: -15.089
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: 7, replica: 6
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -200.829573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.829573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.037798 (E_RNA)
where:
Base-Base interactions energy: -140.729
where: short stacking energy: -56.095
Base-Backbone interact. energy: -0.101
local terms energy: -60.208229
where:
bonds (distance) C4'-P energy: -8.162
bonds (distance) P-C4' energy: -11.734
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -15.671
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: 8, replica: 8
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -196.773646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.773646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.879996 (E_RNA)
where:
Base-Base interactions energy: -137.491
where: short stacking energy: -59.167
Base-Backbone interact. energy: -0.110
local terms energy: -59.279594
where:
bonds (distance) C4'-P energy: -7.950
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -6.999
tors. eta vs tors. theta energy: -15.216
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: 183
Temperature: 1.300000
Total energy: -185.501387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.501387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.257382 (E_RNA)
where:
Base-Base interactions energy: -137.467
where: short stacking energy: -59.232
Base-Backbone interact. energy: 0.404
local terms energy: -56.194372
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -7.666
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -15.430
Dist. restrs. and SS energy: 7.756 (S_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: 183
Temperature: 1.350000
Total energy: -187.700618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.700618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.700618 (E_RNA)
where:
Base-Base interactions energy: -133.103
where: short stacking energy: -48.592
Base-Backbone interact. energy: -0.812
local terms energy: -53.785894
where:
bonds (distance) C4'-P energy: -10.000
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -11.338
flat angles P-C4'-P energy: -8.644
tors. eta vs tors. theta energy: -11.088
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -222.779617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.779617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.132322 (E_RNA)
where:
Base-Base interactions energy: -163.745
where: short stacking energy: -60.191
Base-Backbone interact. energy: -0.535
local terms energy: -58.851921
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -2.656
tors. eta vs tors. theta energy: -15.657
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: 2, replica: 2
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -233.394444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.394444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.434641 (E_RNA)
where:
Base-Base interactions energy: -173.646
where: short stacking energy: -71.617
Base-Backbone interact. energy: -0.217
local terms energy: -59.571650
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -11.045
flat angles C4'-P-C4' energy: -12.940
flat angles P-C4'-P energy: -5.422
tors. eta vs tors. theta energy: -18.059
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: 7
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -213.693607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.693607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.693607 (E_RNA)
where:
Base-Base interactions energy: -149.588
where: short stacking energy: -62.658
Base-Backbone interact. energy: -0.071
local terms energy: -64.034232
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -10.496
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -17.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -220.998369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.998369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.097144 (E_RNA)
where:
Base-Base interactions energy: -165.047
where: short stacking energy: -68.668
Base-Backbone interact. energy: -0.001
local terms energy: -56.049219
where:
bonds (distance) C4'-P energy: -10.580
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -11.443
flat angles P-C4'-P energy: -4.230
tors. eta vs tors. theta energy: -15.676
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: 5
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -202.110103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.110103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.524291 (E_RNA)
where:
Base-Base interactions energy: -145.112
where: short stacking energy: -63.987
Base-Backbone interact. energy: -0.504
local terms energy: -63.908328
where:
bonds (distance) C4'-P energy: -10.409
bonds (distance) P-C4' energy: -11.094
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -6.857
tors. eta vs tors. theta energy: -19.662
Dist. restrs. and SS energy: 7.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -204.606113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.606113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.608335 (E_RNA)
where:
Base-Base interactions energy: -143.138
where: short stacking energy: -55.490
Base-Backbone interact. energy: 0.301
local terms energy: -61.771370
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -12.060
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -14.535
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: 8
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -197.992760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.992760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.321564 (E_RNA)
where:
Base-Base interactions energy: -138.578
where: short stacking energy: -52.363
Base-Backbone interact. energy: -0.057
local terms energy: -59.686339
where:
bonds (distance) C4'-P energy: -10.466
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -13.880
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: 8, replica: 6
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -200.681335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.681335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.028579 (E_RNA)
where:
Base-Base interactions energy: -141.634
where: short stacking energy: -62.794
Base-Backbone interact. energy: -0.118
local terms energy: -59.276431
where:
bonds (distance) C4'-P energy: -9.030
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -5.400
tors. eta vs tors. theta energy: -16.963
Dist. restrs. and SS energy: 0.347 (S_DIST_RNA)
chem. 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: -182.741437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.741437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.741736 (E_RNA)
where:
Base-Base interactions energy: -132.511
where: short stacking energy: -53.894
Base-Backbone interact. energy: -0.000
local terms energy: -57.231032
where:
bonds (distance) C4'-P energy: -11.085
bonds (distance) P-C4' energy: -7.959
flat angles C4'-P-C4' energy: -11.995
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -17.309
Dist. restrs. and SS energy: 7.000 (S_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: 184
Temperature: 1.350000
Total energy: -190.633985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.633985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.674985 (E_RNA)
where:
Base-Base interactions energy: -140.125
where: short stacking energy: -57.230
Base-Backbone interact. energy: -0.219
local terms energy: -50.331425
where:
bonds (distance) C4'-P energy: -11.073
bonds (distance) P-C4' energy: -11.265
flat angles C4'-P-C4' energy: -7.757
flat angles P-C4'-P energy: -8.244
tors. eta vs tors. theta energy: -11.992
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: 10
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -227.484809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.484809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.525007 (E_RNA)
where:
Base-Base interactions energy: -169.128
where: short stacking energy: -62.296
Base-Backbone interact. energy: -0.281
local terms energy: -58.116199
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -11.480
flat angles P-C4'-P energy: -5.288
tors. eta vs tors. theta energy: -16.789
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: 185
Temperature: 0.950000
Total energy: -235.820453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.820453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.823575 (E_RNA)
where:
Base-Base interactions energy: -170.164
where: short stacking energy: -72.039
Base-Backbone interact. energy: -0.134
local terms energy: -65.526335
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -13.875
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -4.547
tors. eta vs tors. theta energy: -17.364
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: 7
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -222.500264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.500264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.514943 (E_RNA)
where:
Base-Base interactions energy: -156.759
where: short stacking energy: -57.752
Base-Backbone interact. energy: -0.065
local terms energy: -65.690815
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -13.127
flat angles C4'-P-C4' energy: -13.969
flat angles P-C4'-P energy: -8.081
tors. eta vs tors. theta energy: -18.026
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: 185
Temperature: 1.050000
Total energy: -212.607821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.607821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.607821 (E_RNA)
where:
Base-Base interactions energy: -156.026
where: short stacking energy: -69.503
Base-Backbone interact. energy: 3.200
local terms energy: -59.781726
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -10.836
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -16.056
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -188.149075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.149075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.563616 (E_RNA)
where:
Base-Base interactions energy: -142.264
where: short stacking energy: -61.229
Base-Backbone interact. energy: -0.088
local terms energy: -54.211210
where:
bonds (distance) C4'-P energy: -9.059
bonds (distance) P-C4' energy: -9.597
flat angles C4'-P-C4' energy: -11.475
flat angles P-C4'-P energy: -6.429
tors. eta vs tors. theta energy: -17.651
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: 6, replica: 8
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -200.859790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.859790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.961350 (E_RNA)
where:
Base-Base interactions energy: -142.394
where: short stacking energy: -59.901
Base-Backbone interact. energy: 0.706
local terms energy: -59.272838
where:
bonds (distance) C4'-P energy: -10.880
bonds (distance) P-C4' energy: -12.263
flat angles C4'-P-C4' energy: -12.630
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -14.700
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: 1
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -201.908025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.908025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.069047 (E_RNA)
where:
Base-Base interactions energy: -143.305
where: short stacking energy: -60.094
Base-Backbone interact. energy: -0.001
local terms energy: -58.763214
where:
bonds (distance) C4'-P energy: -10.355
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -14.482
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: 6
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -204.721971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.721971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.950424 (E_RNA)
where:
Base-Base interactions energy: -143.674
where: short stacking energy: -50.196
Base-Backbone interact. energy: -0.080
local terms energy: -61.196674
where:
bonds (distance) C4'-P energy: -10.331
bonds (distance) P-C4' energy: -11.940
flat angles C4'-P-C4' energy: -15.616
flat angles P-C4'-P energy: -7.450
tors. eta vs tors. theta energy: -15.859
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: 185
Temperature: 1.300000
Total energy: -198.555124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.555124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.071462 (E_RNA)
where:
Base-Base interactions energy: -141.973
where: short stacking energy: -60.873
Base-Backbone interact. energy: -0.930
local terms energy: -63.168914
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -11.252
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -16.664
Dist. restrs. and SS energy: 7.516 (S_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: 185
Temperature: 1.350000
Total energy: -190.800454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.800454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.870638 (E_RNA)
where:
Base-Base interactions energy: -138.260
where: short stacking energy: -55.273
Base-Backbone interact. energy: -0.124
local terms energy: -52.487284
where:
bonds (distance) C4'-P energy: -7.718
bonds (distance) P-C4' energy: -15.671
flat angles C4'-P-C4' energy: -8.997
flat angles P-C4'-P energy: -7.851
tors. eta vs tors. theta energy: -12.250
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: 1, replica: 2
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -234.938721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.938721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.974101 (E_RNA)
where:
Base-Base interactions energy: -174.090
where: short stacking energy: -66.990
Base-Backbone interact. energy: -0.001
local terms energy: -60.883346
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -4.654
tors. eta vs tors. theta energy: -13.940
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: 186
Temperature: 0.950000
Total energy: -227.818716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.818716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.892683 (E_RNA)
where:
Base-Base interactions energy: -162.364
where: short stacking energy: -67.505
Base-Backbone interact. energy: -0.043
local terms energy: -65.485103
where:
bonds (distance) C4'-P energy: -10.352
bonds (distance) P-C4' energy: -13.798
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: -19.098
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: 186
Temperature: 1.000000
Total energy: -221.109929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.109929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.144089 (E_RNA)
where:
Base-Base interactions energy: -165.875
where: short stacking energy: -64.365
Base-Backbone interact. energy: 0.224
local terms energy: -55.493296
where:
bonds (distance) C4'-P energy: -10.927
bonds (distance) P-C4' energy: -14.492
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -0.265
tors. eta vs tors. theta energy: -16.235
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: 9
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -210.921455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.921455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.016629 (E_RNA)
where:
Base-Base interactions energy: -144.143
where: short stacking energy: -55.279
Base-Backbone interact. energy: -0.001
local terms energy: -66.872677
where:
bonds (distance) C4'-P energy: -11.879
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -17.115
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: 5, replica: 8
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -218.526054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.526054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.691414 (E_RNA)
where:
Base-Base interactions energy: -156.694
where: short stacking energy: -62.921
Base-Backbone interact. energy: -0.035
local terms energy: -61.962305
where:
bonds (distance) C4'-P energy: -11.749
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -12.448
flat angles P-C4'-P energy: -5.088
tors. eta vs tors. theta energy: -18.017
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: 6, replica: 5
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -194.015426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.015426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.581595 (E_RNA)
where:
Base-Base interactions energy: -142.400
where: short stacking energy: -64.215
Base-Backbone interact. energy: -0.007
local terms energy: -58.174076
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -9.537
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -17.576
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: 7, replica: 1
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -205.229052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.229052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.351571 (E_RNA)
where:
Base-Base interactions energy: -143.432
where: short stacking energy: -61.548
Base-Backbone interact. energy: -0.001
local terms energy: -61.918578
where:
bonds (distance) C4'-P energy: -9.162
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -15.141
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -13.737
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: 6
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -202.929589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.929589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.185143 (E_RNA)
where:
Base-Base interactions energy: -140.463
where: short stacking energy: -58.322
Base-Backbone interact. energy: -0.028
local terms energy: -62.693602
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -10.545
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -14.600
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: 9, replica: 3
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -189.629539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.629539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.764238 (E_RNA)
where:
Base-Base interactions energy: -137.213
where: short stacking energy: -52.060
Base-Backbone interact. energy: -0.120
local terms energy: -52.431208
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -11.587
flat angles C4'-P-C4' energy: -10.322
flat angles P-C4'-P energy: -7.232
tors. eta vs tors. theta energy: -12.977
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: 10, replica: 4
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -172.548362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.548362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.508804 (E_RNA)
where:
Base-Base interactions energy: -128.620
where: short stacking energy: -55.768
Base-Backbone interact. energy: -0.936
local terms energy: -49.952511
where:
bonds (distance) C4'-P energy: -8.140
bonds (distance) P-C4' energy: -10.878
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -6.138
tors. eta vs tors. theta energy: -11.834
Dist. restrs. and SS energy: 6.960 (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: 2
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -239.061888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.061888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.072510 (E_RNA)
where:
Base-Base interactions energy: -175.881
where: short stacking energy: -70.820
Base-Backbone interact. energy: -0.560
local terms energy: -62.631901
where:
bonds (distance) C4'-P energy: -10.956
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -6.153
tors. eta vs tors. theta energy: -18.669
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: 7
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -215.909913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.909913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.933320 (E_RNA)
where:
Base-Base interactions energy: -153.500
where: short stacking energy: -64.733
Base-Backbone interact. energy: -0.003
local terms energy: -62.429621
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -11.020
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -8.379
tors. eta vs tors. theta energy: -14.903
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: 10
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -230.120932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.120932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.293540 (E_RNA)
where:
Base-Base interactions energy: -168.785
where: short stacking energy: -66.168
Base-Backbone interact. energy: -0.004
local terms energy: -61.504943
where:
bonds (distance) C4'-P energy: -12.520
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -5.214
tors. eta vs tors. theta energy: -17.076
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: 4, replica: 8
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -211.872465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.872465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.928534 (E_RNA)
where:
Base-Base interactions energy: -146.644
where: short stacking energy: -59.662
Base-Backbone interact. energy: -0.168
local terms energy: -65.116550
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -12.832
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -15.358
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: 9
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -212.315953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.315953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.400102 (E_RNA)
where:
Base-Base interactions energy: -145.687
where: short stacking energy: -62.949
Base-Backbone interact. energy: -0.000
local terms energy: -66.713374
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -11.102
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -10.487
tors. eta vs tors. theta energy: -16.268
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: 1
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -207.497576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.497576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.667823 (E_RNA)
where:
Base-Base interactions energy: -143.030
where: short stacking energy: -51.390
Base-Backbone interact. energy: -0.149
local terms energy: -64.488306
where:
bonds (distance) C4'-P energy: -14.536
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -11.756
flat angles P-C4'-P energy: -6.331
tors. eta vs tors. theta energy: -17.130
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: 7, replica: 5
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -185.037071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.037071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.999705 (E_RNA)
where:
Base-Base interactions energy: -134.782
where: short stacking energy: -58.920
Base-Backbone interact. energy: -0.533
local terms energy: -57.684974
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -11.400
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -6.882
tors. eta vs tors. theta energy: -13.993
Dist. restrs. and SS energy: 7.963 (S_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: -194.887344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.887344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.917408 (E_RNA)
where:
Base-Base interactions energy: -138.590
where: short stacking energy: -55.589
Base-Backbone interact. energy: -0.008
local terms energy: -56.319410
where:
bonds (distance) C4'-P energy: -9.260
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -8.048
tors. eta vs tors. theta energy: -14.252
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: 6
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -200.091130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.091130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.177216 (E_RNA)
where:
Base-Base interactions energy: -145.764
where: short stacking energy: -58.985
Base-Backbone interact. energy: -0.025
local terms energy: -54.388937
where:
bonds (distance) C4'-P energy: -9.570
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -3.187
tors. eta vs tors. theta energy: -13.011
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: 10, replica: 4
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -170.994428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.994428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.000798 (E_RNA)
where:
Base-Base interactions energy: -125.979
where: short stacking energy: -55.707
Base-Backbone interact. energy: 1.152
local terms energy: -53.173151
where:
bonds (distance) C4'-P energy: -8.670
bonds (distance) P-C4' energy: -10.996
flat angles C4'-P-C4' energy: -11.495
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -13.374
Dist. restrs. and SS energy: 7.006 (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: 188
Temperature: 0.900000
Total energy: -235.306944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.306944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.306944 (E_RNA)
where:
Base-Base interactions energy: -177.391
where: short stacking energy: -70.878
Base-Backbone interact. energy: -0.058
local terms energy: -57.857814
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -10.609
flat angles C4'-P-C4' energy: -12.302
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: -15.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -217.259010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.259010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.399224 (E_RNA)
where:
Base-Base interactions energy: -149.335
where: short stacking energy: -60.811
Base-Backbone interact. energy: -0.005
local terms energy: -68.059500
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -13.784
flat angles C4'-P-C4' energy: -12.441
flat angles P-C4'-P energy: -11.326
tors. eta vs tors. theta energy: -17.292
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: 3, replica: 10
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -223.186584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.186584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.265107 (E_RNA)
where:
Base-Base interactions energy: -160.297
where: short stacking energy: -68.600
Base-Backbone interact. energy: -0.041
local terms energy: -62.927298
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: -14.182
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: 8
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -210.911031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.911031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.962678 (E_RNA)
where:
Base-Base interactions energy: -146.151
where: short stacking energy: -62.561
Base-Backbone interact. energy: -0.423
local terms energy: -64.389200
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -13.961
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: 188
Temperature: 1.100000
Total energy: -201.239695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.239695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.260687 (E_RNA)
where:
Base-Base interactions energy: -141.116
where: short stacking energy: -55.726
Base-Backbone interact. energy: -0.124
local terms energy: -60.020369
where:
bonds (distance) C4'-P energy: -11.301
bonds (distance) P-C4' energy: -10.930
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -12.812
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: 188
Temperature: 1.150000
Total energy: -215.198234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.198234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.240224 (E_RNA)
where:
Base-Base interactions energy: -145.643
where: short stacking energy: -61.443
Base-Backbone interact. energy: -0.001
local terms energy: -69.596467
where:
bonds (distance) C4'-P energy: -9.118
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: -19.788
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: 188
Temperature: 1.200000
Total energy: -202.427952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.427952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.427952 (E_RNA)
where:
Base-Base interactions energy: -142.942
where: short stacking energy: -60.889
Base-Backbone interact. energy: 0.328
local terms energy: -59.814814
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -10.720
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -13.600
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -192.382815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.382815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.449911 (E_RNA)
where:
Base-Base interactions energy: -139.300
where: short stacking energy: -58.980
Base-Backbone interact. energy: -1.141
local terms energy: -59.009319
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -10.001
flat angles C4'-P-C4' energy: -11.386
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -15.137
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: 9, replica: 6
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -192.284145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.284145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.341764 (E_RNA)
where:
Base-Base interactions energy: -142.813
where: short stacking energy: -56.336
Base-Backbone interact. energy: -0.009
local terms energy: -49.519589
where:
bonds (distance) C4'-P energy: -8.293
bonds (distance) P-C4' energy: -9.240
flat angles C4'-P-C4' energy: -10.063
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -10.698
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: 10, replica: 4
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -170.445267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.445267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.923769 (E_RNA)
where:
Base-Base interactions energy: -130.219
where: short stacking energy: -58.878
Base-Backbone interact. energy: -0.324
local terms energy: -50.380668
where:
bonds (distance) C4'-P energy: -10.748
bonds (distance) P-C4' energy: -8.068
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -1.986
tors. eta vs tors. theta energy: -15.037
Dist. restrs. and SS energy: 10.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -236.660397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.660397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.660397 (E_RNA)
where:
Base-Base interactions energy: -173.543
where: short stacking energy: -69.327
Base-Backbone interact. energy: -0.848
local terms energy: -62.269554
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -7.780
tors. eta vs tors. theta energy: -15.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -221.432433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.432433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.540163 (E_RNA)
where:
Base-Base interactions energy: -153.895
where: short stacking energy: -66.481
Base-Backbone interact. energy: -0.001
local terms energy: -67.644195
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -17.287
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: 10
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -215.701394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.701394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.701394 (E_RNA)
where:
Base-Base interactions energy: -160.376
where: short stacking energy: -66.105
Base-Backbone interact. energy: -0.125
local terms energy: -55.200530
where:
bonds (distance) C4'-P energy: -7.015
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -11.605
flat angles P-C4'-P energy: -4.341
tors. eta vs tors. theta energy: -16.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -214.059880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.059880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.141156 (E_RNA)
where:
Base-Base interactions energy: -155.164
where: short stacking energy: -61.974
Base-Backbone interact. energy: -0.083
local terms energy: -58.893683
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -11.173
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -5.375
tors. eta vs tors. theta energy: -14.109
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: 8
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -219.162328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.162328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.529408 (E_RNA)
where:
Base-Base interactions energy: -156.506
where: short stacking energy: -64.293
Base-Backbone interact. energy: -0.001
local terms energy: -63.022469
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -10.489
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: -18.349
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: 6, replica: 3
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -209.315579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.315579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.436132 (E_RNA)
where:
Base-Base interactions energy: -147.895
where: short stacking energy: -62.280
Base-Backbone interact. energy: -0.156
local terms energy: -61.385010
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -10.771
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -16.415
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: 9
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -198.571629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.571629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.814372 (E_RNA)
where:
Base-Base interactions energy: -137.677
where: short stacking energy: -58.732
Base-Backbone interact. energy: -0.000
local terms energy: -61.137498
where:
bonds (distance) C4'-P energy: -8.095
bonds (distance) P-C4' energy: -11.232
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -17.696
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: 8, replica: 6
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -197.046748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.046748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.059866 (E_RNA)
where:
Base-Base interactions energy: -133.768
where: short stacking energy: -55.442
Base-Backbone interact. energy: -0.001
local terms energy: -63.290614
where:
bonds (distance) C4'-P energy: -9.370
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -17.162
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: 5
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -177.595549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.595549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.389201 (E_RNA)
where:
Base-Base interactions energy: -124.276
where: short stacking energy: -55.171
Base-Backbone interact. energy: -0.503
local terms energy: -60.610337
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -13.112
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -6.485
tors. eta vs tors. theta energy: -15.088
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: 10, replica: 4
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -173.030723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.030723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.396932 (E_RNA)
where:
Base-Base interactions energy: -132.300
where: short stacking energy: -51.489
Base-Backbone interact. energy: -1.026
local terms energy: -47.071470
where:
bonds (distance) C4'-P energy: -5.585
bonds (distance) P-C4' energy: -10.784
flat angles C4'-P-C4' energy: -10.000
flat angles P-C4'-P energy: -7.301
tors. eta vs tors. theta energy: -13.401
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: 1, replica: 2
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -234.989427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.989427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.064267 (E_RNA)
where:
Base-Base interactions energy: -171.450
where: short stacking energy: -72.413
Base-Backbone interact. energy: -0.129
local terms energy: -63.485146
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -7.624
tors. eta vs tors. theta energy: -14.905
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: 7
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -219.159921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.159921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.161559 (E_RNA)
where:
Base-Base interactions energy: -149.456
where: short stacking energy: -64.023
Base-Backbone interact. energy: -0.002
local terms energy: -69.703465
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -13.972
flat angles C4'-P-C4' energy: -12.000
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -18.092
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: 190
Temperature: 1.000000
Total energy: -215.358116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.358116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.416037 (E_RNA)
where:
Base-Base interactions energy: -151.581
where: short stacking energy: -59.861
Base-Backbone interact. energy: -0.018
local terms energy: -63.817677
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -12.264
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -4.931
tors. eta vs tors. theta energy: -18.498
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: 10
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -213.041638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.041638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.078939 (E_RNA)
where:
Base-Base interactions energy: -155.261
where: short stacking energy: -56.565
Base-Backbone interact. energy: -0.008
local terms energy: -57.809225
where:
bonds (distance) C4'-P energy: -9.557
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -12.758
flat angles P-C4'-P energy: -6.871
tors. eta vs tors. theta energy: -15.277
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: 190
Temperature: 1.100000
Total energy: -204.722077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.722077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.026721 (E_RNA)
where:
Base-Base interactions energy: -140.697
where: short stacking energy: -55.859
Base-Backbone interact. energy: -0.001
local terms energy: -64.328301
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -10.461
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -12.263
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: 6, replica: 3
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -200.527020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.527020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.554732 (E_RNA)
where:
Base-Base interactions energy: -145.931
where: short stacking energy: -55.086
Base-Backbone interact. energy: -0.160
local terms energy: -54.463480
where:
bonds (distance) C4'-P energy: -10.294
bonds (distance) P-C4' energy: -8.877
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -14.258
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: 9
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -205.812150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.812150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.966289 (E_RNA)
where:
Base-Base interactions energy: -153.436
where: short stacking energy: -61.767
Base-Backbone interact. energy: 0.771
local terms energy: -53.301397
where:
bonds (distance) C4'-P energy: -9.333
bonds (distance) P-C4' energy: -13.561
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: 1.276
tors. eta vs tors. theta energy: -18.443
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: 6
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -194.279422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.279422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.349078 (E_RNA)
where:
Base-Base interactions energy: -135.661
where: short stacking energy: -52.145
Base-Backbone interact. energy: -0.033
local terms energy: -58.655198
where:
bonds (distance) C4'-P energy: -9.130
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -7.800
tors. eta vs tors. theta energy: -14.316
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: 9, replica: 4
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -190.068849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.068849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.648162 (E_RNA)
where:
Base-Base interactions energy: -139.193
where: short stacking energy: -62.710
Base-Backbone interact. energy: -0.102
local terms energy: -57.352689
where:
bonds (distance) C4'-P energy: -6.264
bonds (distance) P-C4' energy: -11.897
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -18.407
Dist. restrs. and SS energy: 6.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -170.456442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.456442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.005408 (E_RNA)
where:
Base-Base interactions energy: -119.925
where: short stacking energy: -49.204
Base-Backbone interact. energy: -0.092
local terms energy: -56.988320
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -11.407
flat angles P-C4'-P energy: -4.740
tors. eta vs tors. theta energy: -13.640
Dist. restrs. and SS energy: 6.549 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -237.839986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.839986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.919733 (E_RNA)
where:
Base-Base interactions energy: -170.010
where: short stacking energy: -71.033
Base-Backbone interact. energy: -0.165
local terms energy: -67.744556
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: -15.804
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: 191
Temperature: 0.950000
Total energy: -211.893537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.893537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.936939 (E_RNA)
where:
Base-Base interactions energy: -148.639
where: short stacking energy: -58.962
Base-Backbone interact. energy: -0.043
local terms energy: -63.254956
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -11.055
flat angles C4'-P-C4' energy: -11.946
flat angles P-C4'-P energy: -7.272
tors. eta vs tors. theta energy: -18.685
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: 7
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -230.562354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.562354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.562354 (E_RNA)
where:
Base-Base interactions energy: -166.029
where: short stacking energy: -67.258
Base-Backbone interact. energy: -0.001
local terms energy: -64.531903
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -16.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -210.401760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.401760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.558576 (E_RNA)
where:
Base-Base interactions energy: -149.245
where: short stacking energy: -61.097
Base-Backbone interact. energy: -0.003
local terms energy: -61.311310
where:
bonds (distance) C4'-P energy: -10.948
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -10.506
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -14.834
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: 10
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -207.855203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.855203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.855203 (E_RNA)
where:
Base-Base interactions energy: -147.584
where: short stacking energy: -62.531
Base-Backbone interact. energy: 0.656
local terms energy: -60.927084
where:
bonds (distance) C4'-P energy: -9.548
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -7.297
tors. eta vs tors. theta energy: -16.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -219.457642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.457642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.592141 (E_RNA)
where:
Base-Base interactions energy: -161.539
where: short stacking energy: -64.743
Base-Backbone interact. energy: -0.012
local terms energy: -58.041430
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -11.525
flat angles P-C4'-P energy: -3.937
tors. eta vs tors. theta energy: -16.554
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: 7, replica: 3
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -211.545720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.545720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.573251 (E_RNA)
where:
Base-Base interactions energy: -152.621
where: short stacking energy: -59.187
Base-Backbone interact. energy: -0.005
local terms energy: -58.947680
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -4.466
tors. eta vs tors. theta energy: -15.315
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: 6
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -202.456006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.456006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.558669 (E_RNA)
where:
Base-Base interactions energy: -142.905
where: short stacking energy: -60.603
Base-Backbone interact. energy: -0.100
local terms energy: -59.553151
where:
bonds (distance) C4'-P energy: -9.300
bonds (distance) P-C4' energy: -10.835
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: -15.735
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: 191
Temperature: 1.300000
Total energy: -184.035170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.035170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.405026 (E_RNA)
where:
Base-Base interactions energy: -134.563
where: short stacking energy: -58.620
Base-Backbone interact. energy: -0.312
local terms energy: -57.529726
where:
bonds (distance) C4'-P energy: -6.116
bonds (distance) P-C4' energy: -11.723
flat angles C4'-P-C4' energy: -10.702
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -18.415
Dist. restrs. and SS energy: 8.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -165.681072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.681072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.416456 (E_RNA)
where:
Base-Base interactions energy: -119.695
where: short stacking energy: -51.466
Base-Backbone interact. energy: -0.514
local terms energy: -55.207119
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -9.111
flat angles C4'-P-C4' energy: -11.726
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -14.521
Dist. restrs. and SS energy: 9.735 (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: 1
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -225.863849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.863849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.926842 (E_RNA)
where:
Base-Base interactions energy: -162.881
where: short stacking energy: -65.855
Base-Backbone interact. energy: -0.000
local terms energy: -63.045604
where:
bonds (distance) C4'-P energy: -11.792
bonds (distance) P-C4' energy: -10.790
flat angles C4'-P-C4' energy: -12.044
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -19.381
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: 192
Temperature: 0.950000
Total energy: -228.244825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.244825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.297243 (E_RNA)
where:
Base-Base interactions energy: -164.845
where: short stacking energy: -65.573
Base-Backbone interact. energy: -0.598
local terms energy: -62.854574
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -4.537
tors. eta vs tors. theta energy: -15.312
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: 7
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -216.715870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.715870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.107469 (E_RNA)
where:
Base-Base interactions energy: -150.079
where: short stacking energy: -60.104
Base-Backbone interact. energy: -0.396
local terms energy: -66.631553
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -3.249
tors. eta vs tors. theta energy: -19.921
Dist. restrs. and SS energy: 0.392 (S_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: 192
Temperature: 1.050000
Total energy: -211.013477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.013477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.013477 (E_RNA)
where:
Base-Base interactions energy: -151.027
where: short stacking energy: -58.223
Base-Backbone interact. energy: 0.511
local terms energy: -60.497980
where:
bonds (distance) C4'-P energy: -11.723
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -10.742
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -215.231763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.231763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.287108 (E_RNA)
where:
Base-Base interactions energy: -159.490
where: short stacking energy: -59.288
Base-Backbone interact. energy: -0.313
local terms energy: -55.484082
where:
bonds (distance) C4'-P energy: -8.033
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -4.678
tors. eta vs tors. theta energy: -15.117
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: 192
Temperature: 1.150000
Total energy: -200.777141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.777141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.786707 (E_RNA)
where:
Base-Base interactions energy: -144.920
where: short stacking energy: -60.169
Base-Backbone interact. energy: 0.673
local terms energy: -56.539459
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -9.067
flat angles C4'-P-C4' energy: -8.778
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -14.155
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: 6
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -209.448696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.448696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.785423 (E_RNA)
where:
Base-Base interactions energy: -143.097
where: short stacking energy: -60.672
Base-Backbone interact. energy: -0.175
local terms energy: -66.513443
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -11.612
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -16.257
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: 3
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -206.065767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.065767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.351809 (E_RNA)
where:
Base-Base interactions energy: -147.297
where: short stacking energy: -55.577
Base-Backbone interact. energy: -0.013
local terms energy: -59.042010
where:
bonds (distance) C4'-P energy: -9.867
bonds (distance) P-C4' energy: -13.855
flat angles C4'-P-C4' energy: -10.922
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -15.897
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: 9, replica: 5
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -178.209661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.209661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.989498 (E_RNA)
where:
Base-Base interactions energy: -127.182
where: short stacking energy: -53.580
Base-Backbone interact. energy: -0.325
local terms energy: -57.481804
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -10.728
flat angles C4'-P-C4' energy: -11.652
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -13.635
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: 10, replica: 4
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -175.640351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.640351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.394407 (E_RNA)
where:
Base-Base interactions energy: -120.871
where: short stacking energy: -50.064
Base-Backbone interact. energy: -2.245
local terms energy: -61.279163
where:
bonds (distance) C4'-P energy: -10.650
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -11.512
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -14.522
Dist. restrs. and SS energy: 8.754 (S_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: 193
Temperature: 0.900000
Total energy: -229.391136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.391136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.471110 (E_RNA)
where:
Base-Base interactions energy: -161.814
where: short stacking energy: -63.039
Base-Backbone interact. energy: 0.788
local terms energy: -68.445307
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -15.273
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: 2
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -228.089190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.089190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.143276 (E_RNA)
where:
Base-Base interactions energy: -164.809
where: short stacking energy: -65.140
Base-Backbone interact. energy: -0.039
local terms energy: -63.295874
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -13.249
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -6.336
tors. eta vs tors. theta energy: -14.871
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: 7
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -221.967295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.967295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.995857 (E_RNA)
where:
Base-Base interactions energy: -161.954
where: short stacking energy: -69.424
Base-Backbone interact. energy: 0.233
local terms energy: -60.274840
where:
bonds (distance) C4'-P energy: -8.620
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -5.410
tors. eta vs tors. theta energy: -17.623
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: 9
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -209.128115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.128115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.241703 (E_RNA)
where:
Base-Base interactions energy: -150.947
where: short stacking energy: -55.614
Base-Backbone interact. energy: -0.875
local terms energy: -57.419939
where:
bonds (distance) C4'-P energy: -12.644
bonds (distance) P-C4' energy: -10.898
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -15.224
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: 8
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -212.917043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.917043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.031565 (E_RNA)
where:
Base-Base interactions energy: -144.815
where: short stacking energy: -59.856
Base-Backbone interact. energy: -0.040
local terms energy: -68.176260
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -12.855
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -17.478
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: 10
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -200.681223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.681223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.734040 (E_RNA)
where:
Base-Base interactions energy: -141.640
where: short stacking energy: -58.049
Base-Backbone interact. energy: -0.187
local terms energy: -58.907087
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -8.438
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -14.004
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: 6
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -208.225095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.225095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.383072 (E_RNA)
where:
Base-Base interactions energy: -143.404
where: short stacking energy: -57.551
Base-Backbone interact. energy: -0.042
local terms energy: -64.937300
where:
bonds (distance) C4'-P energy: -10.062
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -16.743
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: 3
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -199.331769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.331769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.356927 (E_RNA)
where:
Base-Base interactions energy: -139.909
where: short stacking energy: -57.431
Base-Backbone interact. energy: 0.476
local terms energy: -59.923434
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -11.481
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -12.279
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: 5
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -181.099327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.099327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.977058 (E_RNA)
where:
Base-Base interactions energy: -133.829
where: short stacking energy: -55.569
Base-Backbone interact. energy: -0.589
local terms energy: -54.558879
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -9.314
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -7.706
tors. eta vs tors. theta energy: -12.909
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: 4
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -178.233874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.233874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.741680 (E_RNA)
where:
Base-Base interactions energy: -124.896
where: short stacking energy: -51.733
Base-Backbone interact. energy: -0.028
local terms energy: -60.816944
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -9.128
Dist. restrs. and SS energy: 7.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -228.556502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.556502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.573826 (E_RNA)
where:
Base-Base interactions energy: -170.441
where: short stacking energy: -66.542
Base-Backbone interact. energy: -0.047
local terms energy: -58.086383
where:
bonds (distance) C4'-P energy: -9.112
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -3.940
tors. eta vs tors. theta energy: -15.208
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: 194
Temperature: 0.950000
Total energy: -222.104800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.104800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.127523 (E_RNA)
where:
Base-Base interactions energy: -164.426
where: short stacking energy: -63.446
Base-Backbone interact. energy: -0.656
local terms energy: -57.045112
where:
bonds (distance) C4'-P energy: -13.158
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -11.945
flat angles P-C4'-P energy: -5.730
tors. eta vs tors. theta energy: -12.701
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: 9
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -213.840407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.840407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.840407 (E_RNA)
where:
Base-Base interactions energy: -156.600
where: short stacking energy: -55.796
Base-Backbone interact. energy: 0.278
local terms energy: -57.518533
where:
bonds (distance) C4'-P energy: -14.627
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -11.269
flat angles P-C4'-P energy: -6.806
tors. eta vs tors. theta energy: -12.207
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -215.860658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.860658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.931868 (E_RNA)
where:
Base-Base interactions energy: -146.764
where: short stacking energy: -62.870
Base-Backbone interact. energy: -0.279
local terms energy: -68.888478
where:
bonds (distance) C4'-P energy: -12.797
bonds (distance) P-C4' energy: -12.962
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -10.516
tors. eta vs tors. theta energy: -19.886
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: 5, replica: 10
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -209.314278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.314278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.478302 (E_RNA)
where:
Base-Base interactions energy: -145.101
where: short stacking energy: -62.924
Base-Backbone interact. energy: -0.000
local terms energy: -64.376930
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -12.904
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -15.814
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: 6, replica: 8
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -206.673785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.673785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.852791 (E_RNA)
where:
Base-Base interactions energy: -147.139
where: short stacking energy: -54.760
Base-Backbone interact. energy: -0.035
local terms energy: -59.678456
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -11.652
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: -10.594
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: 7, replica: 3
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -217.383953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.383953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.385393 (E_RNA)
where:
Base-Base interactions energy: -155.434
where: short stacking energy: -60.414
Base-Backbone interact. energy: -0.004
local terms energy: -61.947643
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -2.908
tors. eta vs tors. theta energy: -17.990
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: 194
Temperature: 1.250000
Total energy: -197.745621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.745621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.871929 (E_RNA)
where:
Base-Base interactions energy: -137.939
where: short stacking energy: -54.402
Base-Backbone interact. energy: -0.169
local terms energy: -59.764480
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -10.972
flat angles C4'-P-C4' energy: -12.158
flat angles P-C4'-P energy: -8.574
tors. eta vs tors. theta energy: -16.605
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: 194
Temperature: 1.300000
Total energy: -175.873639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.873639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.576901 (E_RNA)
where:
Base-Base interactions energy: -123.091
where: short stacking energy: -48.553
Base-Backbone interact. energy: -0.068
local terms energy: -59.417660
where:
bonds (distance) C4'-P energy: -11.001
bonds (distance) P-C4' energy: -11.511
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: -14.811
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: 194
Temperature: 1.350000
Total energy: -170.699528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.699528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.434001 (E_RNA)
where:
Base-Base interactions energy: -121.678
where: short stacking energy: -52.037
Base-Backbone interact. energy: -0.004
local terms energy: -55.752023
where:
bonds (distance) C4'-P energy: -9.379
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -6.011
tors. eta vs tors. theta energy: -15.322
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: 2
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -237.587381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.587381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.613048 (E_RNA)
where:
Base-Base interactions energy: -170.860
where: short stacking energy: -68.014
Base-Backbone interact. energy: -0.095
local terms energy: -66.658242
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -13.745
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -16.292
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: 9
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -220.799122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.799122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.803046 (E_RNA)
where:
Base-Base interactions energy: -157.552
where: short stacking energy: -58.441
Base-Backbone interact. energy: 0.577
local terms energy: -63.828120
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -13.319
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -13.777
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: 1
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -212.737724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.737724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.795005 (E_RNA)
where:
Base-Base interactions energy: -145.918
where: short stacking energy: -57.646
Base-Backbone interact. energy: -0.660
local terms energy: -66.216540
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -16.868
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: 195
Temperature: 1.050000
Total energy: -208.167275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.167275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.460115 (E_RNA)
where:
Base-Base interactions energy: -146.667
where: short stacking energy: -64.786
Base-Backbone interact. energy: -0.000
local terms energy: -61.793326
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -10.356
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -16.043
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: 5, replica: 7
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -205.922738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.922738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.981379 (E_RNA)
where:
Base-Base interactions energy: -144.576
where: short stacking energy: -62.636
Base-Backbone interact. energy: 0.952
local terms energy: -62.357765
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -9.707
flat angles C4'-P-C4' energy: -10.895
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -16.928
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: 195
Temperature: 1.150000
Total energy: -207.775454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.775454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.909803 (E_RNA)
where:
Base-Base interactions energy: -145.468
where: short stacking energy: -58.885
Base-Backbone interact. energy: -0.002
local terms energy: -62.439921
where:
bonds (distance) C4'-P energy: -12.126
bonds (distance) P-C4' energy: -10.865
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -15.327
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: 7, replica: 3
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -200.483083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.483083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.551294 (E_RNA)
where:
Base-Base interactions energy: -143.477
where: short stacking energy: -54.544
Base-Backbone interact. energy: -0.820
local terms energy: -56.254304
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -10.852
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -6.286
tors. eta vs tors. theta energy: -13.154
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: 6
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -193.204145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.204145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.230056 (E_RNA)
where:
Base-Base interactions energy: -137.988
where: short stacking energy: -60.097
Base-Backbone interact. energy: -0.061
local terms energy: -55.180809
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -10.035
flat angles C4'-P-C4' energy: -9.900
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -13.998
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: 195
Temperature: 1.300000
Total energy: -176.548188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.548188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.298340 (E_RNA)
where:
Base-Base interactions energy: -126.032
where: short stacking energy: -54.317
Base-Backbone interact. energy: -0.972
local terms energy: -58.294432
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -8.893
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -12.888
Dist. restrs. and SS energy: 8.750 (S_DIST_RNA)
chem. 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: -169.596525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.596525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.697364 (E_RNA)
where:
Base-Base interactions energy: -127.775
where: short stacking energy: -59.058
Base-Backbone interact. energy: -0.217
local terms energy: -48.705182
where:
bonds (distance) C4'-P energy: -9.228
bonds (distance) P-C4' energy: -9.900
flat angles C4'-P-C4' energy: -10.577
flat angles P-C4'-P energy: -4.315
tors. eta vs tors. theta energy: -14.685
Dist. restrs. and SS energy: 7.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -239.146775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.146775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.154639 (E_RNA)
where:
Base-Base interactions energy: -175.203
where: short stacking energy: -71.059
Base-Backbone interact. energy: -0.011
local terms energy: -63.940305
where:
bonds (distance) C4'-P energy: -9.181
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -7.063
tors. eta vs tors. theta energy: -16.901
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: 196
Temperature: 0.950000
Total energy: -222.518312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.518312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.612880 (E_RNA)
where:
Base-Base interactions energy: -155.717
where: short stacking energy: -67.513
Base-Backbone interact. energy: 1.474
local terms energy: -68.370601
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -8.787
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -17.758
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: 10
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -218.858351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.858351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.902040 (E_RNA)
where:
Base-Base interactions energy: -153.016
where: short stacking energy: -66.883
Base-Backbone interact. energy: -0.002
local terms energy: -65.883890
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -12.829
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -14.415
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: 1
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -213.324158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.324158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.359327 (E_RNA)
where:
Base-Base interactions energy: -149.319
where: short stacking energy: -61.619
Base-Backbone interact. energy: -0.164
local terms energy: -63.876209
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -12.601
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -16.550
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: 7
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -210.825741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.825741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.852807 (E_RNA)
where:
Base-Base interactions energy: -148.731
where: short stacking energy: -59.579
Base-Backbone interact. energy: -0.001
local terms energy: -62.121378
where:
bonds (distance) C4'-P energy: -9.610
bonds (distance) P-C4' energy: -10.048
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -17.392
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: 8
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -195.711295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.711295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.909731 (E_RNA)
where:
Base-Base interactions energy: -142.530
where: short stacking energy: -53.047
Base-Backbone interact. energy: 0.877
local terms energy: -54.256512
where:
bonds (distance) C4'-P energy: -11.007
bonds (distance) P-C4' energy: -9.900
flat angles C4'-P-C4' energy: -11.979
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: -11.045
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: 7, replica: 6
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -211.050920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.050920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.104950 (E_RNA)
where:
Base-Base interactions energy: -153.862
where: short stacking energy: -59.527
Base-Backbone interact. energy: -0.242
local terms energy: -57.001610
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -12.661
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -2.809
tors. eta vs tors. theta energy: -13.083
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: 3
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -203.642943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.642943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.690975 (E_RNA)
where:
Base-Base interactions energy: -143.088
where: short stacking energy: -52.070
Base-Backbone interact. energy: -0.010
local terms energy: -60.593496
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -12.327
flat angles C4'-P-C4' energy: -15.476
flat angles P-C4'-P energy: -6.888
tors. eta vs tors. theta energy: -13.874
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: 5
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -175.502449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.502449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.368892 (E_RNA)
where:
Base-Base interactions energy: -129.776
where: short stacking energy: -58.336
Base-Backbone interact. energy: -0.004
local terms energy: -55.588891
where:
bonds (distance) C4'-P energy: -9.860
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -9.695
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -11.883
Dist. restrs. and SS energy: 9.866 (S_DIST_RNA)
chem. 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: -173.101512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.101512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.960251 (E_RNA)
where:
Base-Base interactions energy: -127.042
where: short stacking energy: -48.462
Base-Backbone interact. energy: -0.103
local terms energy: -53.815777
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -10.317
flat angles C4'-P-C4' energy: -11.571
flat angles P-C4'-P energy: -6.111
tors. eta vs tors. theta energy: -12.957
Dist. restrs. and SS energy: 7.859 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -233.857585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.857585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.942937 (E_RNA)
where:
Base-Base interactions energy: -170.840
where: short stacking energy: -64.595
Base-Backbone interact. energy: -0.006
local terms energy: -63.096655
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -12.996
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -8.111
tors. eta vs tors. theta energy: -14.757
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: 9
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -218.781369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.781369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.925282 (E_RNA)
where:
Base-Base interactions energy: -152.771
where: short stacking energy: -68.651
Base-Backbone interact. energy: -0.002
local terms energy: -66.152496
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -13.024
flat angles C4'-P-C4' energy: -11.638
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -18.175
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: 10
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -220.733436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.733436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.768987 (E_RNA)
where:
Base-Base interactions energy: -164.701
where: short stacking energy: -65.243
Base-Backbone interact. energy: 1.091
local terms energy: -57.159650
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -12.461
flat angles P-C4'-P energy: -5.058
tors. eta vs tors. theta energy: -12.698
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: 7
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -223.221779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.221779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.261088 (E_RNA)
where:
Base-Base interactions energy: -167.365
where: short stacking energy: -64.707
Base-Backbone interact. energy: -0.066
local terms energy: -55.830110
where:
bonds (distance) C4'-P energy: -10.272
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -10.813
flat angles P-C4'-P energy: -6.195
tors. eta vs tors. theta energy: -15.726
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: 1
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -211.698284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.698284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.708478 (E_RNA)
where:
Base-Base interactions energy: -151.399
where: short stacking energy: -59.874
Base-Backbone interact. energy: -0.037
local terms energy: -60.272289
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -12.221
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -6.887
tors. eta vs tors. theta energy: -13.777
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: 197
Temperature: 1.150000
Total energy: -214.096692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.096692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.134707 (E_RNA)
where:
Base-Base interactions energy: -152.471
where: short stacking energy: -62.521
Base-Backbone interact. energy: -0.000
local terms energy: -61.663916
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -11.512
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -5.976
tors. eta vs tors. theta energy: -18.027
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: 197
Temperature: 1.200000
Total energy: -210.183629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.183629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.187144 (E_RNA)
where:
Base-Base interactions energy: -145.800
where: short stacking energy: -52.612
Base-Backbone interact. energy: -0.022
local terms energy: -64.364899
where:
bonds (distance) C4'-P energy: -12.370
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -12.361
flat angles P-C4'-P energy: -10.347
tors. eta vs tors. theta energy: -16.006
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: 8, replica: 5
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -192.621115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.621115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.385723 (E_RNA)
where:
Base-Base interactions energy: -146.938
where: short stacking energy: -60.253
Base-Backbone interact. energy: -1.574
local terms energy: -51.874171
where:
bonds (distance) C4'-P energy: -4.548
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -12.378
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: -14.670
Dist. restrs. and SS energy: 7.765 (S_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: 197
Temperature: 1.300000
Total energy: -196.061040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.061040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.280167 (E_RNA)
where:
Base-Base interactions energy: -139.065
where: short stacking energy: -56.031
Base-Backbone interact. energy: -0.002
local terms energy: -57.213166
where:
bonds (distance) C4'-P energy: -10.909
bonds (distance) P-C4' energy: -10.974
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -5.423
tors. eta vs tors. theta energy: -18.546
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: 10, replica: 4
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -178.536857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.536857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.169468 (E_RNA)
where:
Base-Base interactions energy: -126.759
where: short stacking energy: -49.186
Base-Backbone interact. energy: -0.696
local terms energy: -58.714180
where:
bonds (distance) C4'-P energy: -8.343
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -12.062
Dist. restrs. and SS energy: 7.633 (S_DIST_RNA)
chem. 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: -234.157105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.157105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.199892 (E_RNA)
where:
Base-Base interactions energy: -168.311
where: short stacking energy: -68.502
Base-Backbone interact. energy: -0.005
local terms energy: -65.883468
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -13.646
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -6.432
tors. eta vs tors. theta energy: -14.670
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: 198
Temperature: 0.950000
Total energy: -218.875157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.875157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.891402 (E_RNA)
where:
Base-Base interactions energy: -153.546
where: short stacking energy: -60.717
Base-Backbone interact. energy: 0.047
local terms energy: -65.392525
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -12.374
tors. eta vs tors. theta energy: -12.862
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: 7
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -219.910204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.910204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.960771 (E_RNA)
where:
Base-Base interactions energy: -154.223
where: short stacking energy: -62.817
Base-Backbone interact. energy: 0.498
local terms energy: -66.236312
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -16.183
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: 10
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -209.303570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.303570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.337429 (E_RNA)
where:
Base-Base interactions energy: -153.923
where: short stacking energy: -65.733
Base-Backbone interact. energy: -0.001
local terms energy: -55.413860
where:
bonds (distance) C4'-P energy: -9.428
bonds (distance) P-C4' energy: -8.541
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -14.029
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: 6
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -201.623148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.623148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.834681 (E_RNA)
where:
Base-Base interactions energy: -147.414
where: short stacking energy: -58.974
Base-Backbone interact. energy: 0.671
local terms energy: -55.092430
where:
bonds (distance) C4'-P energy: -10.938
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -11.922
flat angles P-C4'-P energy: -7.104
tors. eta vs tors. theta energy: -9.838
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: 1
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -205.898491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.898491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.928441 (E_RNA)
where:
Base-Base interactions energy: -141.473
where: short stacking energy: -58.515
Base-Backbone interact. energy: -0.019
local terms energy: -64.436599
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -11.333
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -16.866
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: 198
Temperature: 1.200000
Total energy: -207.626824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.626824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.642693 (E_RNA)
where:
Base-Base interactions energy: -145.401
where: short stacking energy: -53.582
Base-Backbone interact. energy: -0.490
local terms energy: -61.750946
where:
bonds (distance) C4'-P energy: -10.152
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -6.117
tors. eta vs tors. theta energy: -17.936
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: 198
Temperature: 1.250000
Total energy: -175.435864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.435864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.523913 (E_RNA)
where:
Base-Base interactions energy: -127.680
where: short stacking energy: -53.187
Base-Backbone interact. energy: -0.011
local terms energy: -55.832780
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -10.452
flat angles C4'-P-C4' energy: -10.882
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -11.448
Dist. restrs. and SS energy: 8.088 (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: 4
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -184.088037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.088037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.853901 (E_RNA)
where:
Base-Base interactions energy: -137.978
where: short stacking energy: -63.104
Base-Backbone interact. energy: -0.001
local terms energy: -54.874281
where:
bonds (distance) C4'-P energy: -8.705
bonds (distance) P-C4' energy: -9.065
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -6.936
tors. eta vs tors. theta energy: -16.725
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: 10, replica: 3
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -194.403919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.403919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.499529 (E_RNA)
where:
Base-Base interactions energy: -133.485
where: short stacking energy: -52.870
Base-Backbone interact. energy: -0.110
local terms energy: -60.904220
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -8.884
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -11.696
tors. eta vs tors. theta energy: -12.307
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: 1, replica: 2
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -237.726899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.726899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.830274 (E_RNA)
where:
Base-Base interactions energy: -173.025
where: short stacking energy: -70.363
Base-Backbone interact. energy: -0.031
local terms energy: -64.774953
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -6.526
tors. eta vs tors. theta energy: -17.319
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: 7
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -228.674077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.674077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.751088 (E_RNA)
where:
Base-Base interactions energy: -165.462
where: short stacking energy: -66.583
Base-Backbone interact. energy: -0.017
local terms energy: -63.272188
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -12.446
flat angles P-C4'-P energy: -5.816
tors. eta vs tors. theta energy: -18.917
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: 9
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -211.155691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.155691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.244242 (E_RNA)
where:
Base-Base interactions energy: -141.723
where: short stacking energy: -58.569
Base-Backbone interact. energy: -0.009
local terms energy: -69.512784
where:
bonds (distance) C4'-P energy: -11.911
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -8.685
tors. eta vs tors. theta energy: -19.717
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: 10
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -209.808512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.808512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.915369 (E_RNA)
where:
Base-Base interactions energy: -147.331
where: short stacking energy: -61.479
Base-Backbone interact. energy: -0.000
local terms energy: -62.584036
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: -14.168
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: 6
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -216.471627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.471627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.605386 (E_RNA)
where:
Base-Base interactions energy: -153.211
where: short stacking energy: -59.517
Base-Backbone interact. energy: 0.182
local terms energy: -63.576739
where:
bonds (distance) C4'-P energy: -10.881
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -7.292
tors. eta vs tors. theta energy: -14.873
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: 6, replica: 8
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -204.011740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.011740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.091030 (E_RNA)
where:
Base-Base interactions energy: -142.187
where: short stacking energy: -55.844
Base-Backbone interact. energy: -0.002
local terms energy: -61.902464
where:
bonds (distance) C4'-P energy: -11.816
bonds (distance) P-C4' energy: -13.122
flat angles C4'-P-C4' energy: -11.951
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -14.483
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: 1
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -204.077379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.077379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.283892 (E_RNA)
where:
Base-Base interactions energy: -139.651
where: short stacking energy: -55.997
Base-Backbone interact. energy: -0.443
local terms energy: -64.190209
where:
bonds (distance) C4'-P energy: -11.125
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -11.192
tors. eta vs tors. theta energy: -14.596
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: 8, replica: 4
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -181.176145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.176145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.267096 (E_RNA)
where:
Base-Base interactions energy: -134.059
where: short stacking energy: -54.376
Base-Backbone interact. energy: -0.005
local terms energy: -53.203574
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -10.557
flat angles C4'-P-C4' energy: -10.640
flat angles P-C4'-P energy: -6.758
tors. eta vs tors. theta energy: -13.791
Dist. restrs. and SS energy: 6.091 (S_DIST_RNA)
chem. 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: -183.527746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.527746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.659152 (E_RNA)
where:
Base-Base interactions energy: -137.232
where: short stacking energy: -58.671
Base-Backbone interact. energy: -0.008
local terms energy: -54.419853
where:
bonds (distance) C4'-P energy: -10.704
bonds (distance) P-C4' energy: -9.480
flat angles C4'-P-C4' energy: -12.239
flat angles P-C4'-P energy: -5.640
tors. eta vs tors. theta energy: -16.357
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: 10, replica: 3
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -196.330079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.330079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.331047 (E_RNA)
where:
Base-Base interactions energy: -142.765
where: short stacking energy: -52.120
Base-Backbone interact. energy: -0.166
local terms energy: -53.399878
where:
bonds (distance) C4'-P energy: -8.297
bonds (distance) P-C4' energy: -11.402
flat angles C4'-P-C4' energy: -11.953
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -13.339
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: 2
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -234.902785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.902785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.903637 (E_RNA)
where:
Base-Base interactions energy: -171.856
where: short stacking energy: -68.846
Base-Backbone interact. energy: -0.595
local terms energy: -62.452459
where:
bonds (distance) C4'-P energy: -12.077
bonds (distance) P-C4' energy: -14.376
flat angles C4'-P-C4' energy: -13.649
flat angles P-C4'-P energy: -4.383
tors. eta vs tors. theta energy: -17.967
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: 7
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -231.491769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.491769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.528019 (E_RNA)
where:
Base-Base interactions energy: -164.630
where: short stacking energy: -66.602
Base-Backbone interact. energy: -0.002
local terms energy: -66.896054
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -6.465
tors. eta vs tors. theta energy: -17.567
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: 200
Temperature: 1.000000
Total energy: -213.224910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.224910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.225333 (E_RNA)
where:
Base-Base interactions energy: -147.562
where: short stacking energy: -61.004
Base-Backbone interact. energy: -0.009
local terms energy: -65.654476
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -16.031
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -7.054
tors. eta vs tors. theta energy: -16.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -211.111169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.111169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.269460 (E_RNA)
where:
Base-Base interactions energy: -139.821
where: short stacking energy: -58.670
Base-Backbone interact. energy: -0.495
local terms energy: -70.953851
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: -17.315
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: 5, replica: 6
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -222.135678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.135678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.198291 (E_RNA)
where:
Base-Base interactions energy: -162.887
where: short stacking energy: -67.161
Base-Backbone interact. energy: -0.058
local terms energy: -59.253591
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -11.691
flat angles P-C4'-P energy: -4.353
tors. eta vs tors. theta energy: -17.052
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: 8
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -203.167336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.167336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.368462 (E_RNA)
where:
Base-Base interactions energy: -144.773
where: short stacking energy: -59.507
Base-Backbone interact. energy: -0.772
local terms energy: -57.823902
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -10.037
flat angles C4'-P-C4' energy: -14.801
flat angles P-C4'-P energy: -6.976
tors. eta vs tors. theta energy: -12.297
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: 7, replica: 4
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -188.938073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.938073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.993631 (E_RNA)
where:
Base-Base interactions energy: -141.169
where: short stacking energy: -55.990
Base-Backbone interact. energy: -1.090
local terms energy: -54.735487
where:
bonds (distance) C4'-P energy: -10.612
bonds (distance) P-C4' energy: -11.843
flat angles C4'-P-C4' energy: -9.664
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -13.756
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: 8, replica: 1
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -197.580711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.580711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.816535 (E_RNA)
where:
Base-Base interactions energy: -135.991
where: short stacking energy: -58.924
Base-Backbone interact. energy: -0.086
local terms energy: -61.740192
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -5.870
tors. eta vs tors. theta energy: -13.984
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: 9, replica: 3
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -191.192503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.192503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.192503 (E_RNA)
where:
Base-Base interactions energy: -138.370
where: short stacking energy: -52.101
Base-Backbone interact. energy: -0.111
local terms energy: -52.711955
where:
bonds (distance) C4'-P energy: -10.824
bonds (distance) P-C4' energy: -8.771
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -7.501
tors. eta vs tors. theta energy: -12.407
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -180.607847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.607847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.055878 (E_RNA)
where:
Base-Base interactions energy: -134.910
where: short stacking energy: -59.320
Base-Backbone interact. energy: -0.239
local terms energy: -52.906821
where:
bonds (distance) C4'-P energy: -9.226
bonds (distance) P-C4' energy: -10.728
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -6.194
tors. eta vs tors. theta energy: -13.650
Dist. restrs. and SS energy: 7.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -238.025047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.025047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.033392 (E_RNA)
where:
Base-Base interactions energy: -169.132
where: short stacking energy: -69.012
Base-Backbone interact. energy: -0.004
local terms energy: -68.897394
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -7.644
tors. eta vs tors. theta energy: -17.040
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: 7
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -224.401172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.401172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.620806 (E_RNA)
where:
Base-Base interactions energy: -165.299
where: short stacking energy: -69.052
Base-Backbone interact. energy: -0.005
local terms energy: -59.316641
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -2.852
tors. eta vs tors. theta energy: -14.517
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: 9
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -210.933558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.933558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.933896 (E_RNA)
where:
Base-Base interactions energy: -151.924
where: short stacking energy: -62.879
Base-Backbone interact. energy: -0.041
local terms energy: -58.968610
where:
bonds (distance) C4'-P energy: -8.721
bonds (distance) P-C4' energy: -15.799
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -4.674
tors. eta vs tors. theta energy: -14.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -209.782836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.782836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.855917 (E_RNA)
where:
Base-Base interactions energy: -145.338
where: short stacking energy: -59.973
Base-Backbone interact. energy: -0.280
local terms energy: -64.238472
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -16.971
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: 5, replica: 10
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -211.536798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.536798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.564362 (E_RNA)
where:
Base-Base interactions energy: -147.728
where: short stacking energy: -58.501
Base-Backbone interact. energy: -0.076
local terms energy: -63.760530
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -11.094
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -13.612
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: 4
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -188.962168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.962168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.631115 (E_RNA)
where:
Base-Base interactions energy: -137.718
where: short stacking energy: -54.649
Base-Backbone interact. energy: -0.110
local terms energy: -58.803098
where:
bonds (distance) C4'-P energy: -10.505
bonds (distance) P-C4' energy: -10.373
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -13.516
Dist. restrs. and SS energy: 7.669 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -207.779935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.779935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.953440 (E_RNA)
where:
Base-Base interactions energy: -138.471
where: short stacking energy: -51.703
Base-Backbone interact. energy: -0.099
local terms energy: -69.383345
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -15.123
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: 8, replica: 1
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -195.352578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.352578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.489880 (E_RNA)
where:
Base-Base interactions energy: -135.113
where: short stacking energy: -52.387
Base-Backbone interact. energy: -0.022
local terms energy: -60.353948
where:
bonds (distance) C4'-P energy: -11.002
bonds (distance) P-C4' energy: -12.646
flat angles C4'-P-C4' energy: -11.576
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -14.721
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: 3
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -194.163188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.163188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.204066 (E_RNA)
where:
Base-Base interactions energy: -139.869
where: short stacking energy: -49.341
Base-Backbone interact. energy: -1.219
local terms energy: -53.115868
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -9.058
flat angles P-C4'-P energy: -5.257
tors. eta vs tors. theta energy: -13.750
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: 10, replica: 5
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -174.288819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.288819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.304619 (E_RNA)
where:
Base-Base interactions energy: -124.372
where: short stacking energy: -51.250
Base-Backbone interact. energy: -1.053
local terms energy: -57.879353
where:
bonds (distance) C4'-P energy: -10.578
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -6.428
tors. eta vs tors. theta energy: -13.743
Dist. restrs. and SS energy: 9.016 (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: 2
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -236.039043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.039043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.049187 (E_RNA)
where:
Base-Base interactions energy: -171.020
where: short stacking energy: -66.572
Base-Backbone interact. energy: -0.034
local terms energy: -64.994799
where:
bonds (distance) C4'-P energy: -9.131
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -16.544
flat angles P-C4'-P energy: -7.074
tors. eta vs tors. theta energy: -17.596
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: 7
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -226.663271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.663271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.697243 (E_RNA)
where:
Base-Base interactions energy: -168.330
where: short stacking energy: -67.319
Base-Backbone interact. energy: -0.293
local terms energy: -58.074423
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -12.482
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -2.783
tors. eta vs tors. theta energy: -17.688
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: 6
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -220.600967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.600967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.788414 (E_RNA)
where:
Base-Base interactions energy: -149.102
where: short stacking energy: -62.955
Base-Backbone interact. energy: 0.001
local terms energy: -71.687755
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -18.164
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: 4, replica: 9
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -208.391414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.391414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.523323 (E_RNA)
where:
Base-Base interactions energy: -148.622
where: short stacking energy: -61.118
Base-Backbone interact. energy: -0.000
local terms energy: -59.900823
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -10.013
flat angles C4'-P-C4' energy: -13.682
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -15.120
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: 10
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -206.817334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.817334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.897825 (E_RNA)
where:
Base-Base interactions energy: -145.062
where: short stacking energy: -61.138
Base-Backbone interact. energy: -0.001
local terms energy: -61.835124
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -7.407
tors. eta vs tors. theta energy: -16.579
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: 4
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -183.455942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.455942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.179819 (E_RNA)
where:
Base-Base interactions energy: -134.582
where: short stacking energy: -59.622
Base-Backbone interact. energy: -0.657
local terms energy: -57.940865
where:
bonds (distance) C4'-P energy: -10.682
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -13.376
Dist. restrs. and SS energy: 9.724 (S_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: 202
Temperature: 1.200000
Total energy: -207.256982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.256982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.265842 (E_RNA)
where:
Base-Base interactions energy: -145.632
where: short stacking energy: -59.913
Base-Backbone interact. energy: -0.012
local terms energy: -61.622118
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -12.404
flat angles P-C4'-P energy: -8.682
tors. eta vs tors. theta energy: -15.856
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: 8
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -204.899485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.899485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.939613 (E_RNA)
where:
Base-Base interactions energy: -148.829
where: short stacking energy: -58.062
Base-Backbone interact. energy: -0.098
local terms energy: -56.013168
where:
bonds (distance) C4'-P energy: -10.025
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -6.542
tors. eta vs tors. theta energy: -11.796
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: 5
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -180.243478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.243478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.268238 (E_RNA)
where:
Base-Base interactions energy: -131.926
where: short stacking energy: -54.129
Base-Backbone interact. energy: -0.004
local terms energy: -57.338258
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -10.567
flat angles C4'-P-C4' energy: -11.961
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -15.388
Dist. restrs. and SS energy: 9.025 (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: 3
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -193.780893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.780893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.835492 (E_RNA)
where:
Base-Base interactions energy: -137.301
where: short stacking energy: -58.228
Base-Backbone interact. energy: 0.626
local terms energy: -57.160354
where:
bonds (distance) C4'-P energy: -8.804
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -8.719
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -16.474
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: 2
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -236.483006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.483006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.620361 (E_RNA)
where:
Base-Base interactions energy: -170.476
where: short stacking energy: -67.062
Base-Backbone interact. energy: -0.062
local terms energy: -66.082623
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -5.122
tors. eta vs tors. theta energy: -17.930
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: 2, replica: 7
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -221.481630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.481630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.638622 (E_RNA)
where:
Base-Base interactions energy: -159.821
where: short stacking energy: -63.468
Base-Backbone interact. energy: -0.017
local terms energy: -61.800057
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -4.667
tors. eta vs tors. theta energy: -16.361
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: 6
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -220.863525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.863525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.863525 (E_RNA)
where:
Base-Base interactions energy: -158.385
where: short stacking energy: -63.356
Base-Backbone interact. energy: -0.041
local terms energy: -62.437358
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -12.882
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -6.946
tors. eta vs tors. theta energy: -15.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -202.941519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.941519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.956124 (E_RNA)
where:
Base-Base interactions energy: -141.098
where: short stacking energy: -59.438
Base-Backbone interact. energy: -0.471
local terms energy: -61.387289
where:
bonds (distance) C4'-P energy: -15.070
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -5.323
tors. eta vs tors. theta energy: -14.736
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: 203
Temperature: 1.100000
Total energy: -208.674297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.674297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.812879 (E_RNA)
where:
Base-Base interactions energy: -146.002
where: short stacking energy: -61.522
Base-Backbone interact. energy: -0.000
local terms energy: -62.811021
where:
bonds (distance) C4'-P energy: -10.717
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -14.507
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: 1
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -204.500073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.500073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.538500 (E_RNA)
where:
Base-Base interactions energy: -140.727
where: short stacking energy: -55.557
Base-Backbone interact. energy: -0.087
local terms energy: -63.724977
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -11.169
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -14.158
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: 4
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -179.218843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.218843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.166905 (E_RNA)
where:
Base-Base interactions energy: -124.526
where: short stacking energy: -54.901
Base-Backbone interact. energy: -0.062
local terms energy: -61.578495
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -13.107
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -12.376
Dist. restrs. and SS energy: 6.948 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -181.535293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.535293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.456979 (E_RNA)
where:
Base-Base interactions energy: -133.196
where: short stacking energy: -49.880
Base-Backbone interact. energy: -0.085
local terms energy: -55.176030
where:
bonds (distance) C4'-P energy: -8.749
bonds (distance) P-C4' energy: -11.059
flat angles C4'-P-C4' energy: -14.091
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -12.338
Dist. restrs. and SS energy: 6.922 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -191.603664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.603664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.078034 (E_RNA)
where:
Base-Base interactions energy: -129.763
where: short stacking energy: -48.102
Base-Backbone interact. energy: -0.001
local terms energy: -62.313846
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -12.487
flat angles C4'-P-C4' energy: -12.322
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -15.339
Dist. restrs. and SS energy: 0.474 (S_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: 203
Temperature: 1.350000
Total energy: -190.396766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.396766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.404713 (E_RNA)
where:
Base-Base interactions energy: -140.694
where: short stacking energy: -58.804
Base-Backbone interact. energy: -0.046
local terms energy: -49.664662
where:
bonds (distance) C4'-P energy: -9.884
bonds (distance) P-C4' energy: -6.443
flat angles C4'-P-C4' energy: -10.091
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: -14.628
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: 7
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -220.857144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.857144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.868396 (E_RNA)
where:
Base-Base interactions energy: -152.465
where: short stacking energy: -65.687
Base-Backbone interact. energy: -0.022
local terms energy: -68.382202
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -17.828
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: 204
Temperature: 0.950000
Total energy: -235.015345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.015345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.033569 (E_RNA)
where:
Base-Base interactions energy: -174.053
where: short stacking energy: -70.760
Base-Backbone interact. energy: -0.151
local terms energy: -60.829162
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -4.794
tors. eta vs tors. theta energy: -15.912
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: 204
Temperature: 1.000000
Total energy: -212.790755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.790755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.829922 (E_RNA)
where:
Base-Base interactions energy: -148.706
where: short stacking energy: -61.240
Base-Backbone interact. energy: -0.186
local terms energy: -63.938349
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -6.878
tors. eta vs tors. theta energy: -15.483
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: 204
Temperature: 1.050000
Total energy: -210.294800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.294800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.425208 (E_RNA)
where:
Base-Base interactions energy: -150.664
where: short stacking energy: -65.899
Base-Backbone interact. energy: -0.019
local terms energy: -59.742367
where:
bonds (distance) C4'-P energy: -10.655
bonds (distance) P-C4' energy: -11.571
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -15.713
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: 5, replica: 1
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -207.620290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.620290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.620290 (E_RNA)
where:
Base-Base interactions energy: -153.136
where: short stacking energy: -57.361
Base-Backbone interact. energy: -0.021
local terms energy: -54.463279
where:
bonds (distance) C4'-P energy: -12.201
bonds (distance) P-C4' energy: -12.482
flat angles C4'-P-C4' energy: -12.385
flat angles P-C4'-P energy: -3.432
tors. eta vs tors. theta energy: -13.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -206.421004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.421004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.446730 (E_RNA)
where:
Base-Base interactions energy: -145.722
where: short stacking energy: -62.914
Base-Backbone interact. energy: -0.157
local terms energy: -60.568296
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -13.354
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -10.875
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: 5
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -180.737699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.737699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.404329 (E_RNA)
where:
Base-Base interactions energy: -129.708
where: short stacking energy: -56.283
Base-Backbone interact. energy: -0.095
local terms energy: -58.600887
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -9.027
flat angles C4'-P-C4' energy: -12.093
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: -13.686
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: 8, replica: 4
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -178.694745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.694745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.519874 (E_RNA)
where:
Base-Base interactions energy: -124.841
where: short stacking energy: -52.253
Base-Backbone interact. energy: -1.135
local terms energy: -60.543770
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -11.628
Dist. restrs. and SS energy: 7.825 (S_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: 204
Temperature: 1.300000
Total energy: -206.784900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.784900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.859309 (E_RNA)
where:
Base-Base interactions energy: -153.239
where: short stacking energy: -60.546
Base-Backbone interact. energy: -0.007
local terms energy: -53.613269
where:
bonds (distance) C4'-P energy: -8.220
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -12.904
flat angles P-C4'-P energy: -4.614
tors. eta vs tors. theta energy: -15.893
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: 8
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -187.786840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.786840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.895863 (E_RNA)
where:
Base-Base interactions energy: -130.938
where: short stacking energy: -52.664
Base-Backbone interact. energy: -0.610
local terms energy: -56.348146
where:
bonds (distance) C4'-P energy: -14.590
bonds (distance) P-C4' energy: -11.091
flat angles C4'-P-C4' energy: -7.451
flat angles P-C4'-P energy: -9.518
tors. eta vs tors. theta energy: -13.698
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: 1, replica: 7
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -217.654320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.654320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.654320 (E_RNA)
where:
Base-Base interactions energy: -155.780
where: short stacking energy: -59.418
Base-Backbone interact. energy: 1.407
local terms energy: -63.281791
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -12.620
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -12.667
tors. eta vs tors. theta energy: -11.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -240.038592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.038592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.078907 (E_RNA)
where:
Base-Base interactions energy: -175.123
where: short stacking energy: -73.948
Base-Backbone interact. energy: -0.302
local terms energy: -64.653682
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -14.791
flat angles P-C4'-P energy: -5.396
tors. eta vs tors. theta energy: -16.877
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: 10
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -207.817529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.817529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.931398 (E_RNA)
where:
Base-Base interactions energy: -143.860
where: short stacking energy: -62.252
Base-Backbone interact. energy: -0.037
local terms energy: -64.035062
where:
bonds (distance) C4'-P energy: -7.061
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -16.622
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: 1
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -213.547874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.547874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.547874 (E_RNA)
where:
Base-Base interactions energy: -147.314
where: short stacking energy: -60.088
Base-Backbone interact. energy: -0.002
local terms energy: -66.231751
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: -14.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -209.845643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.845643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.872947 (E_RNA)
where:
Base-Base interactions energy: -149.505
where: short stacking energy: -61.528
Base-Backbone interact. energy: -0.250
local terms energy: -60.117933
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -11.145
flat angles C4'-P-C4' energy: -10.323
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -16.164
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: 205
Temperature: 1.150000
Total energy: -201.518649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.518649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.562052 (E_RNA)
where:
Base-Base interactions energy: -141.566
where: short stacking energy: -57.242
Base-Backbone interact. energy: -0.083
local terms energy: -59.913306
where:
bonds (distance) C4'-P energy: -6.307
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -12.510
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: 5
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -181.751857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.751857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.118627 (E_RNA)
where:
Base-Base interactions energy: -127.115
where: short stacking energy: -51.463
Base-Backbone interact. energy: -0.179
local terms energy: -60.824799
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -12.443
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -11.964
Dist. restrs. and SS energy: 6.367 (S_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: 205
Temperature: 1.250000
Total energy: -195.406326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.406326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.547372 (E_RNA)
where:
Base-Base interactions energy: -131.874
where: short stacking energy: -52.531
Base-Backbone interact. energy: -0.373
local terms energy: -63.300766
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -14.733
flat angles C4'-P-C4' energy: -12.084
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -11.540
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: 205
Temperature: 1.300000
Total energy: -180.921827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.921827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.498815 (E_RNA)
where:
Base-Base interactions energy: -130.690
where: short stacking energy: -51.154
Base-Backbone interact. energy: -0.020
local terms energy: -57.788150
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -12.572
flat angles C4'-P-C4' energy: -9.364
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -14.256
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: 8
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -192.876591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.876591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.156407 (E_RNA)
where:
Base-Base interactions energy: -134.312
where: short stacking energy: -55.567
Base-Backbone interact. energy: -0.093
local terms energy: -58.750794
where:
bonds (distance) C4'-P energy: -9.896
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -11.238
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: 1, replica: 2
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -231.413802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.413802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.413802 (E_RNA)
where:
Base-Base interactions energy: -169.602
where: short stacking energy: -72.230
Base-Backbone interact. energy: -0.355
local terms energy: -61.456888
where:
bonds (distance) C4'-P energy: -9.860
bonds (distance) P-C4' energy: -10.167
flat angles C4'-P-C4' energy: -15.483
flat angles P-C4'-P energy: -6.316
tors. eta vs tors. theta energy: -19.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -221.596413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.596413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.730914 (E_RNA)
where:
Base-Base interactions energy: -157.369
where: short stacking energy: -61.902
Base-Backbone interact. energy: -0.012
local terms energy: -64.349984
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -12.274
flat angles P-C4'-P energy: -7.517
tors. eta vs tors. theta energy: -13.805
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: 3, replica: 1
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -229.442372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.442372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.484247 (E_RNA)
where:
Base-Base interactions energy: -165.980
where: short stacking energy: -67.387
Base-Backbone interact. energy: 0.270
local terms energy: -63.774726
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -5.221
tors. eta vs tors. theta energy: -17.387
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: 206
Temperature: 1.050000
Total energy: -211.971100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.971100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.973002 (E_RNA)
where:
Base-Base interactions energy: -148.503
where: short stacking energy: -61.972
Base-Backbone interact. energy: -0.005
local terms energy: -63.464273
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -11.453
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -8.321
tors. eta vs tors. theta energy: -13.968
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: 9
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -215.072929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.072929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.167248 (E_RNA)
where:
Base-Base interactions energy: -157.455
where: short stacking energy: -60.467
Base-Backbone interact. energy: -0.575
local terms energy: -57.137179
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -10.654
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -6.167
tors. eta vs tors. theta energy: -12.840
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: 6
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -203.208401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.208401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.234726 (E_RNA)
where:
Base-Base interactions energy: -146.205
where: short stacking energy: -58.915
Base-Backbone interact. energy: -0.042
local terms energy: -56.987889
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -9.483
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -13.740
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: 3
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -195.710459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.710459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.734356 (E_RNA)
where:
Base-Base interactions energy: -134.412
where: short stacking energy: -49.862
Base-Backbone interact. energy: -0.045
local terms energy: -61.277425
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -13.568
flat angles C4'-P-C4' energy: -12.785
flat angles P-C4'-P energy: -8.449
tors. eta vs tors. theta energy: -12.343
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: 8, replica: 5
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -185.699051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.699051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.561057 (E_RNA)
where:
Base-Base interactions energy: -140.969
where: short stacking energy: -59.946
Base-Backbone interact. energy: -0.344
local terms energy: -52.248431
where:
bonds (distance) C4'-P energy: -8.104
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -8.605
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -15.203
Dist. restrs. and SS energy: 7.862 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -187.423331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.423331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.433492 (E_RNA)
where:
Base-Base interactions energy: -132.077
where: short stacking energy: -47.125
Base-Backbone interact. energy: -0.728
local terms energy: -54.628772
where:
bonds (distance) C4'-P energy: -9.864
bonds (distance) P-C4' energy: -12.102
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -9.951
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: 206
Temperature: 1.350000
Total energy: -171.336989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.336989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.929574 (E_RNA)
where:
Base-Base interactions energy: -124.450
where: short stacking energy: -49.732
Base-Backbone interact. energy: -0.002
local terms energy: -55.477710
where:
bonds (distance) C4'-P energy: -11.526
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -9.681
flat angles P-C4'-P energy: -3.133
tors. eta vs tors. theta energy: -17.253
Dist. restrs. and SS energy: 8.593 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -238.290127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.290127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.341437 (E_RNA)
where:
Base-Base interactions energy: -172.678
where: short stacking energy: -71.419
Base-Backbone interact. energy: -0.131
local terms energy: -65.532085
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -13.661
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -4.788
tors. eta vs tors. theta energy: -19.296
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: 207
Temperature: 0.950000
Total energy: -219.894453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.894453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.926398 (E_RNA)
where:
Base-Base interactions energy: -151.995
where: short stacking energy: -63.244
Base-Backbone interact. energy: -0.001
local terms energy: -67.930367
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -7.030
tors. eta vs tors. theta energy: -18.135
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: 7
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -220.119477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.119477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.136372 (E_RNA)
where:
Base-Base interactions energy: -163.427
where: short stacking energy: -64.519
Base-Backbone interact. energy: -0.029
local terms energy: -56.680140
where:
bonds (distance) C4'-P energy: -10.348
bonds (distance) P-C4' energy: -11.795
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -3.228
tors. eta vs tors. theta energy: -19.386
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: 207
Temperature: 1.050000
Total energy: -212.070385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.070385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.072911 (E_RNA)
where:
Base-Base interactions energy: -149.443
where: short stacking energy: -50.752
Base-Backbone interact. energy: -0.870
local terms energy: -61.759155
where:
bonds (distance) C4'-P energy: -10.576
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -16.571
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: 9
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -208.593998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.593998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.637788 (E_RNA)
where:
Base-Base interactions energy: -145.309
where: short stacking energy: -59.407
Base-Backbone interact. energy: -0.004
local terms energy: -63.324797
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: -15.786
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: 207
Temperature: 1.150000
Total energy: -206.093139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.093139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.310816 (E_RNA)
where:
Base-Base interactions energy: -145.706
where: short stacking energy: -58.484
Base-Backbone interact. energy: -0.000
local terms energy: -60.604096
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -11.939
Dist. restrs. and SS energy: 0.218 (S_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: 207
Temperature: 1.200000
Total energy: -202.128161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.128161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.141189 (E_RNA)
where:
Base-Base interactions energy: -139.659
where: short stacking energy: -52.498
Base-Backbone interact. energy: -0.083
local terms energy: -62.398955
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -12.567
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: 8
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -194.172438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.172438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.198951 (E_RNA)
where:
Base-Base interactions energy: -135.868
where: short stacking energy: -54.747
Base-Backbone interact. energy: -0.001
local terms energy: -58.330237
where:
bonds (distance) C4'-P energy: -9.702
bonds (distance) P-C4' energy: -14.171
flat angles C4'-P-C4' energy: -8.472
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -14.494
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: 207
Temperature: 1.300000
Total energy: -173.518037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.518037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.337538 (E_RNA)
where:
Base-Base interactions energy: -121.941
where: short stacking energy: -47.922
Base-Backbone interact. energy: -0.494
local terms energy: -57.902590
where:
bonds (distance) C4'-P energy: -10.720
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -10.740
flat angles P-C4'-P energy: -5.639
tors. eta vs tors. theta energy: -16.171
Dist. restrs. and SS energy: 6.820 (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: 207
Temperature: 1.350000
Total energy: -171.144236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.144236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.976918 (E_RNA)
where:
Base-Base interactions energy: -125.710
where: short stacking energy: -51.966
Base-Backbone interact. energy: -1.127
local terms energy: -52.139880
where:
bonds (distance) C4'-P energy: -11.129
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -11.289
flat angles P-C4'-P energy: -8.427
tors. eta vs tors. theta energy: -9.521
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: 2
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -240.414525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.414525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.485364 (E_RNA)
where:
Base-Base interactions energy: -173.843
where: short stacking energy: -71.072
Base-Backbone interact. energy: -0.878
local terms energy: -65.763864
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -6.170
tors. eta vs tors. theta energy: -18.658
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: 2, replica: 1
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -222.083073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.083073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.101272 (E_RNA)
where:
Base-Base interactions energy: -161.014
where: short stacking energy: -64.967
Base-Backbone interact. energy: -0.004
local terms energy: -61.083763
where:
bonds (distance) C4'-P energy: -10.253
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -16.098
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: 208
Temperature: 1.000000
Total energy: -223.002648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.002648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.045379 (E_RNA)
where:
Base-Base interactions energy: -162.801
where: short stacking energy: -66.930
Base-Backbone interact. energy: -0.586
local terms energy: -59.658938
where:
bonds (distance) C4'-P energy: -11.763
bonds (distance) P-C4' energy: -9.700
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -6.187
tors. eta vs tors. theta energy: -17.292
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: 208
Temperature: 1.050000
Total energy: -210.769343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.769343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.805153 (E_RNA)
where:
Base-Base interactions energy: -149.962
where: short stacking energy: -62.014
Base-Backbone interact. energy: 0.184
local terms energy: -61.027082
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -11.707
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -14.812
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: 6
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -209.483883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.483883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.514286 (E_RNA)
where:
Base-Base interactions energy: -142.942
where: short stacking energy: -57.064
Base-Backbone interact. energy: -0.006
local terms energy: -66.565936
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -13.602
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: 9
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -207.333202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.333202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.379779 (E_RNA)
where:
Base-Base interactions energy: -152.317
where: short stacking energy: -57.455
Base-Backbone interact. energy: -0.541
local terms energy: -54.522572
where:
bonds (distance) C4'-P energy: -8.211
bonds (distance) P-C4' energy: -10.263
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -3.977
tors. eta vs tors. theta energy: -16.539
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: 8
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -199.914508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.914508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.939725 (E_RNA)
where:
Base-Base interactions energy: -140.505
where: short stacking energy: -62.221
Base-Backbone interact. energy: -0.013
local terms energy: -59.421323
where:
bonds (distance) C4'-P energy: -8.095
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: -16.875
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: 208
Temperature: 1.250000
Total energy: -199.699736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.699736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.702756 (E_RNA)
where:
Base-Base interactions energy: -141.236
where: short stacking energy: -57.735
Base-Backbone interact. energy: -0.560
local terms energy: -57.906394
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -6.999
flat angles P-C4'-P energy: -6.056
tors. eta vs tors. theta energy: -18.900
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: 208
Temperature: 1.300000
Total energy: -184.433489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.433489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.536756 (E_RNA)
where:
Base-Base interactions energy: -132.719
where: short stacking energy: -56.513
Base-Backbone interact. energy: 0.288
local terms energy: -60.105610
where:
bonds (distance) C4'-P energy: -12.569
bonds (distance) P-C4' energy: -11.803
flat angles C4'-P-C4' energy: -9.133
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -15.912
Dist. restrs. and SS energy: 8.103 (S_DIST_RNA)
chem. 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: -177.247428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.247428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.720080 (E_RNA)
where:
Base-Base interactions energy: -127.826
where: short stacking energy: -55.708
Base-Backbone interact. energy: -0.029
local terms energy: -56.865349
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -10.578
Dist. restrs. and SS energy: 7.473 (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: 2
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -236.530568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.530568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.629473 (E_RNA)
where:
Base-Base interactions energy: -171.158
where: short stacking energy: -69.218
Base-Backbone interact. energy: -0.308
local terms energy: -65.162734
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -4.180
tors. eta vs tors. theta energy: -19.308
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: 2, replica: 1
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -217.346069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.346069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.417451 (E_RNA)
where:
Base-Base interactions energy: -146.728
where: short stacking energy: -63.543
Base-Backbone interact. energy: 0.052
local terms energy: -70.741656
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -13.048
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -17.319
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: 7
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -219.000284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.000284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.051842 (E_RNA)
where:
Base-Base interactions energy: -160.659
where: short stacking energy: -61.485
Base-Backbone interact. energy: -0.009
local terms energy: -58.383705
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -9.296
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -3.693
tors. eta vs tors. theta energy: -17.253
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: 209
Temperature: 1.050000
Total energy: -214.803086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.803086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.803086 (E_RNA)
where:
Base-Base interactions energy: -150.603
where: short stacking energy: -64.090
Base-Backbone interact. energy: -0.026
local terms energy: -64.174057
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -16.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -208.906974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.906974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.937790 (E_RNA)
where:
Base-Base interactions energy: -146.227
where: short stacking energy: -63.027
Base-Backbone interact. energy: -0.006
local terms energy: -62.704742
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -11.810
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -6.072
tors. eta vs tors. theta energy: -17.317
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: 8
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -201.424072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.424072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.611279 (E_RNA)
where:
Base-Base interactions energy: -144.165
where: short stacking energy: -56.057
Base-Backbone interact. energy: -0.290
local terms energy: -57.155987
where:
bonds (distance) C4'-P energy: -10.355
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -10.365
flat angles P-C4'-P energy: -7.977
tors. eta vs tors. theta energy: -13.275
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: 9
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -197.404856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.404856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.450822 (E_RNA)
where:
Base-Base interactions energy: -137.712
where: short stacking energy: -58.148
Base-Backbone interact. energy: -0.018
local terms energy: -59.720242
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -11.714
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: -12.447
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: 3
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -200.002985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.002985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.162099 (E_RNA)
where:
Base-Base interactions energy: -136.954
where: short stacking energy: -56.312
Base-Backbone interact. energy: -0.281
local terms energy: -62.927063
where:
bonds (distance) C4'-P energy: -10.609
bonds (distance) P-C4' energy: -10.563
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -17.213
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: 9, replica: 4
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -179.131777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.131777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.749531 (E_RNA)
where:
Base-Base interactions energy: -120.260
where: short stacking energy: -45.256
Base-Backbone interact. energy: 0.072
local terms energy: -65.561966
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -13.750
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: 10, replica: 5
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -170.517291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.517291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.925082 (E_RNA)
where:
Base-Base interactions energy: -128.808
where: short stacking energy: -58.322
Base-Backbone interact. energy: -0.020
local terms energy: -51.097321
where:
bonds (distance) C4'-P energy: -7.481
bonds (distance) P-C4' energy: -12.598
flat angles C4'-P-C4' energy: -9.791
flat angles P-C4'-P energy: -9.233
tors. eta vs tors. theta energy: -11.994
Dist. restrs. and SS energy: 9.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -238.387830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.387830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.440929 (E_RNA)
where:
Base-Base interactions energy: -173.693
where: short stacking energy: -67.359
Base-Backbone interact. energy: -0.047
local terms energy: -64.701042
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -14.993
flat angles C4'-P-C4' energy: -14.252
flat angles P-C4'-P energy: -5.655
tors. eta vs tors. theta energy: -17.359
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: 1
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -223.613643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.613643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.713697 (E_RNA)
where:
Base-Base interactions energy: -157.879
where: short stacking energy: -61.215
Base-Backbone interact. energy: -0.000
local terms energy: -65.833980
where:
bonds (distance) C4'-P energy: -9.648
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -12.192
tors. eta vs tors. theta energy: -17.828
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: 210
Temperature: 1.000000
Total energy: -208.905307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.905307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.932137 (E_RNA)
where:
Base-Base interactions energy: -140.974
where: short stacking energy: -57.436
Base-Backbone interact. energy: -0.435
local terms energy: -67.522195
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -9.851
flat angles C4'-P-C4' energy: -16.123
flat angles P-C4'-P energy: -10.943
tors. eta vs tors. theta energy: -15.746
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: 7
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -217.636021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.636021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.781127 (E_RNA)
where:
Base-Base interactions energy: -155.683
where: short stacking energy: -60.802
Base-Backbone interact. energy: -0.001
local terms energy: -62.097465
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -6.021
tors. eta vs tors. theta energy: -16.257
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: 8
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -203.220432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.220432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.239348 (E_RNA)
where:
Base-Base interactions energy: -143.030
where: short stacking energy: -58.238
Base-Backbone interact. energy: -0.000
local terms energy: -60.208849
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -11.190
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: -13.800
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: 210
Temperature: 1.150000
Total energy: -202.256744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.256744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.256744 (E_RNA)
where:
Base-Base interactions energy: -147.692
where: short stacking energy: -53.456
Base-Backbone interact. energy: -0.063
local terms energy: -54.501285
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -8.544
flat angles P-C4'-P energy: -4.825
tors. eta vs tors. theta energy: -13.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -200.888392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.888392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.906917 (E_RNA)
where:
Base-Base interactions energy: -138.985
where: short stacking energy: -51.420
Base-Backbone interact. energy: 0.021
local terms energy: -61.942725
where:
bonds (distance) C4'-P energy: -11.792
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -14.015
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: 8, replica: 9
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -199.596210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.596210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.613087 (E_RNA)
where:
Base-Base interactions energy: -144.159
where: short stacking energy: -57.451
Base-Backbone interact. energy: -0.116
local terms energy: -55.337149
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -7.127
flat angles P-C4'-P energy: -6.121
tors. eta vs tors. theta energy: -15.620
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: 9, replica: 5
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -168.386014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.386014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.721595 (E_RNA)
where:
Base-Base interactions energy: -126.706
where: short stacking energy: -50.973
Base-Backbone interact. energy: -0.059
local terms energy: -50.956584
where:
bonds (distance) C4'-P energy: -7.586
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -4.835
tors. eta vs tors. theta energy: -12.698
Dist. restrs. and SS energy: 9.336 (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: 210
Temperature: 1.350000
Total energy: -183.701348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.701348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.566702 (E_RNA)
where:
Base-Base interactions energy: -134.125
where: short stacking energy: -55.446
Base-Backbone interact. energy: 0.399
local terms energy: -58.840038
where:
bonds (distance) C4'-P energy: -9.459
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -15.769
Dist. restrs. and SS energy: 8.865 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -231.730477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.730477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.730477 (E_RNA)
where:
Base-Base interactions energy: -170.187
where: short stacking energy: -67.063
Base-Backbone interact. energy: -0.280
local terms energy: -61.263491
where:
bonds (distance) C4'-P energy: -8.530
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -5.475
tors. eta vs tors. theta energy: -17.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -218.123867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.123867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.167444 (E_RNA)
where:
Base-Base interactions energy: -155.113
where: short stacking energy: -63.289
Base-Backbone interact. energy: -0.097
local terms energy: -62.957916
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -13.689
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: 1
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -215.669498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.669498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.795696 (E_RNA)
where:
Base-Base interactions energy: -150.789
where: short stacking energy: -64.988
Base-Backbone interact. energy: -0.000
local terms energy: -65.006463
where:
bonds (distance) C4'-P energy: -9.789
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -16.051
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: 4, replica: 8
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -205.073496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.073496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.076480 (E_RNA)
where:
Base-Base interactions energy: -149.777
where: short stacking energy: -58.095
Base-Backbone interact. energy: -0.159
local terms energy: -55.139893
where:
bonds (distance) C4'-P energy: -6.734
bonds (distance) P-C4' energy: -14.643
flat angles C4'-P-C4' energy: -12.991
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -11.962
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: 7
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -212.965575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.965575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.030152 (E_RNA)
where:
Base-Base interactions energy: -148.933
where: short stacking energy: -57.967
Base-Backbone interact. energy: -0.655
local terms energy: -63.441373
where:
bonds (distance) C4'-P energy: -11.442
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -15.371
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: 3
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -201.857521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.857521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.056431 (E_RNA)
where:
Base-Base interactions energy: -142.792
where: short stacking energy: -57.978
Base-Backbone interact. energy: -0.006
local terms energy: -59.259155
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -10.433
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -7.423
tors. eta vs tors. theta energy: -14.124
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: 7, replica: 6
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -203.280791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.280791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.422805 (E_RNA)
where:
Base-Base interactions energy: -145.040
where: short stacking energy: -57.771
Base-Backbone interact. energy: -0.003
local terms energy: -58.380015
where:
bonds (distance) C4'-P energy: -11.659
bonds (distance) P-C4' energy: -12.126
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -5.773
tors. eta vs tors. theta energy: -15.122
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: 9
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -197.372407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.372407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.451345 (E_RNA)
where:
Base-Base interactions energy: -136.818
where: short stacking energy: -54.800
Base-Backbone interact. energy: -0.086
local terms energy: -60.547943
where:
bonds (distance) C4'-P energy: -11.431
bonds (distance) P-C4' energy: -13.516
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -12.237
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: 211
Temperature: 1.300000
Total energy: -179.229208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.229208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.973369 (E_RNA)
where:
Base-Base interactions energy: -133.987
where: short stacking energy: -60.857
Base-Backbone interact. energy: -0.035
local terms energy: -52.952035
where:
bonds (distance) C4'-P energy: -5.462
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -5.724
tors. eta vs tors. theta energy: -15.466
Dist. restrs. and SS energy: 7.744 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -176.618492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.618492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.456392 (E_RNA)
where:
Base-Base interactions energy: -134.254
where: short stacking energy: -61.413
Base-Backbone interact. energy: -0.331
local terms energy: -50.871711
where:
bonds (distance) C4'-P energy: -7.441
bonds (distance) P-C4' energy: -6.237
flat angles C4'-P-C4' energy: -11.369
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -14.956
Dist. restrs. and SS energy: 8.838 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -221.098458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.098458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.098458 (E_RNA)
where:
Base-Base interactions energy: -153.422
where: short stacking energy: -62.261
Base-Backbone interact. energy: 0.312
local terms energy: -67.988693
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -7.584
tors. eta vs tors. theta energy: -16.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -222.081495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.081495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.081495 (E_RNA)
where:
Base-Base interactions energy: -162.308
where: short stacking energy: -62.942
Base-Backbone interact. energy: -0.092
local terms energy: -59.682011
where:
bonds (distance) C4'-P energy: -12.317
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -3.626
tors. eta vs tors. theta energy: -14.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -209.810387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.810387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.843086 (E_RNA)
where:
Base-Base interactions energy: -146.932
where: short stacking energy: -59.624
Base-Backbone interact. energy: -0.110
local terms energy: -62.800472
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -14.201
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -12.258
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: 212
Temperature: 1.050000
Total energy: -210.903198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.903198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.913184 (E_RNA)
where:
Base-Base interactions energy: -146.685
where: short stacking energy: -62.244
Base-Backbone interact. energy: -0.012
local terms energy: -64.216508
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -7.498
tors. eta vs tors. theta energy: -17.495
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: 3
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -206.560729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.560729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.759536 (E_RNA)
where:
Base-Base interactions energy: -156.322
where: short stacking energy: -61.428
Base-Backbone interact. energy: -0.030
local terms energy: -50.407859
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -12.622
flat angles C4'-P-C4' energy: -6.891
flat angles P-C4'-P energy: -3.492
tors. eta vs tors. theta energy: -15.682
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: 7
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -201.804506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.804506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.880590 (E_RNA)
where:
Base-Base interactions energy: -139.559
where: short stacking energy: -57.105
Base-Backbone interact. energy: -0.054
local terms energy: -62.267114
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -11.830
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -8.095
tors. eta vs tors. theta energy: -15.290
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: 9
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -198.243046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.243046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.243046 (E_RNA)
where:
Base-Base interactions energy: -137.320
where: short stacking energy: -55.177
Base-Backbone interact. energy: -0.003
local terms energy: -60.920167
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -12.175
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -7.867
tors. eta vs tors. theta energy: -13.656
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -201.473452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.473452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.575078 (E_RNA)
where:
Base-Base interactions energy: -143.172
where: short stacking energy: -62.897
Base-Backbone interact. energy: -0.045
local terms energy: -58.357640
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -11.031
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -6.047
tors. eta vs tors. theta energy: -17.189
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: 212
Temperature: 1.300000
Total energy: -174.212265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.212265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.931461 (E_RNA)
where:
Base-Base interactions energy: -131.463
where: short stacking energy: -49.657
Base-Backbone interact. energy: -0.128
local terms energy: -50.341122
where:
bonds (distance) C4'-P energy: -9.486
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -10.724
flat angles P-C4'-P energy: -4.383
tors. eta vs tors. theta energy: -12.466
Dist. restrs. and SS energy: 7.719 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -167.820720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.820720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.163948 (E_RNA)
where:
Base-Base interactions energy: -120.926
where: short stacking energy: -48.629
Base-Backbone interact. energy: -0.453
local terms energy: -54.784966
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -12.156
flat angles C4'-P-C4' energy: -6.412
flat angles P-C4'-P energy: -8.785
tors. eta vs tors. theta energy: -15.200
Dist. restrs. and SS energy: 8.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -224.131734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.131734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.269344 (E_RNA)
where:
Base-Base interactions energy: -166.763
where: short stacking energy: -67.212
Base-Backbone interact. energy: -0.156
local terms energy: -57.350245
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -2.595
tors. eta vs tors. theta energy: -16.253
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: 8
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -215.933887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.933887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.963761 (E_RNA)
where:
Base-Base interactions energy: -160.289
where: short stacking energy: -66.623
Base-Backbone interact. energy: -0.025
local terms energy: -55.649168
where:
bonds (distance) C4'-P energy: -11.501
bonds (distance) P-C4' energy: -9.765
flat angles C4'-P-C4' energy: -11.434
flat angles P-C4'-P energy: -7.162
tors. eta vs tors. theta energy: -15.786
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: 2
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -225.719890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.719890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.786492 (E_RNA)
where:
Base-Base interactions energy: -163.449
where: short stacking energy: -63.542
Base-Backbone interact. energy: -0.004
local terms energy: -62.333330
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -14.513
flat angles P-C4'-P energy: -3.229
tors. eta vs tors. theta energy: -17.065
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: 4, replica: 3
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -218.041198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.041198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.041198 (E_RNA)
where:
Base-Base interactions energy: -154.578
where: short stacking energy: -62.834
Base-Backbone interact. energy: -0.026
local terms energy: -63.437119
where:
bonds (distance) C4'-P energy: -10.630
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -7.080
tors. eta vs tors. theta energy: -17.828
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -204.209323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.209323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.474548 (E_RNA)
where:
Base-Base interactions energy: -142.934
where: short stacking energy: -57.632
Base-Backbone interact. energy: -0.013
local terms energy: -61.527010
where:
bonds (distance) C4'-P energy: -10.570
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -12.811
flat angles P-C4'-P energy: -7.879
tors. eta vs tors. theta energy: -16.953
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: 6, replica: 9
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -193.845405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.845405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.929378 (E_RNA)
where:
Base-Base interactions energy: -144.117
where: short stacking energy: -57.000
Base-Backbone interact. energy: -0.587
local terms energy: -49.225319
where:
bonds (distance) C4'-P energy: -7.838
bonds (distance) P-C4' energy: -10.577
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -1.803
tors. eta vs tors. theta energy: -15.332
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: 7
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -206.326193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.326193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.769607 (E_RNA)
where:
Base-Base interactions energy: -159.759
where: short stacking energy: -64.834
Base-Backbone interact. energy: -0.040
local terms energy: -46.969772
where:
bonds (distance) C4'-P energy: -10.124
bonds (distance) P-C4' energy: -6.135
flat angles C4'-P-C4' energy: -8.496
flat angles P-C4'-P energy: -5.080
tors. eta vs tors. theta energy: -17.136
Dist. restrs. and SS energy: 0.443 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -200.084440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.084440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.238933 (E_RNA)
where:
Base-Base interactions energy: -134.374
where: short stacking energy: -54.061
Base-Backbone interact. energy: -0.245
local terms energy: -65.619934
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: -14.596
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: 9, replica: 4
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -179.927222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.927222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.102997 (E_RNA)
where:
Base-Base interactions energy: -127.916
where: short stacking energy: -58.048
Base-Backbone interact. energy: -0.001
local terms energy: -59.185464
where:
bonds (distance) C4'-P energy: -7.648
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -6.364
tors. eta vs tors. theta energy: -17.395
Dist. restrs. and SS energy: 7.176 (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: 213
Temperature: 1.350000
Total energy: -160.630378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.630378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.205760 (E_RNA)
where:
Base-Base interactions energy: -117.523
where: short stacking energy: -52.466
Base-Backbone interact. energy: -0.147
local terms energy: -50.535516
where:
bonds (distance) C4'-P energy: -10.423
bonds (distance) P-C4' energy: -12.081
flat angles C4'-P-C4' energy: -11.393
flat angles P-C4'-P energy: -2.575
tors. eta vs tors. theta energy: -14.063
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: 1, replica: 10
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -220.144426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.144426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.144426 (E_RNA)
where:
Base-Base interactions energy: -154.452
where: short stacking energy: -65.730
Base-Backbone interact. energy: -0.001
local terms energy: -65.691584
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -9.319
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -17.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -213.276410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.276410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.325554 (E_RNA)
where:
Base-Base interactions energy: -148.044
where: short stacking energy: -59.966
Base-Backbone interact. energy: -0.014
local terms energy: -65.267752
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -12.382
tors. eta vs tors. theta energy: -11.516
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: 3
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -216.403989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.403989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.561840 (E_RNA)
where:
Base-Base interactions energy: -159.714
where: short stacking energy: -63.782
Base-Backbone interact. energy: -0.006
local terms energy: -56.841934
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -1.717
tors. eta vs tors. theta energy: -15.044
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: 4, replica: 2
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -220.686832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.686832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.718245 (E_RNA)
where:
Base-Base interactions energy: -156.253
where: short stacking energy: -60.103
Base-Backbone interact. energy: -0.280
local terms energy: -64.184659
where:
bonds (distance) C4'-P energy: -10.348
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -17.316
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: 214
Temperature: 1.100000
Total energy: -195.365754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.365754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.385404 (E_RNA)
where:
Base-Base interactions energy: -134.438
where: short stacking energy: -53.740
Base-Backbone interact. energy: -0.222
local terms energy: -60.725837
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -11.852
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -6.256
tors. eta vs tors. theta energy: -13.533
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: 1
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -204.389003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.389003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.389003 (E_RNA)
where:
Base-Base interactions energy: -139.616
where: short stacking energy: -55.154
Base-Backbone interact. energy: -0.001
local terms energy: -64.771960
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -11.891
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -6.711
tors. eta vs tors. theta energy: -18.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -197.665673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.665673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.677758 (E_RNA)
where:
Base-Base interactions energy: -146.642
where: short stacking energy: -59.119
Base-Backbone interact. energy: -0.019
local terms energy: -51.016481
where:
bonds (distance) C4'-P energy: -11.941
bonds (distance) P-C4' energy: -8.145
flat angles C4'-P-C4' energy: -12.091
flat angles P-C4'-P energy: -4.672
tors. eta vs tors. theta energy: -14.167
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: 7
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -199.614096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.614096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.729929 (E_RNA)
where:
Base-Base interactions energy: -144.845
where: short stacking energy: -55.643
Base-Backbone interact. energy: -0.012
local terms energy: -54.873122
where:
bonds (distance) C4'-P energy: -10.191
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -3.272
tors. eta vs tors. theta energy: -13.917
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: 214
Temperature: 1.300000
Total energy: -174.594235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.594235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.190970 (E_RNA)
where:
Base-Base interactions energy: -120.153
where: short stacking energy: -52.369
Base-Backbone interact. energy: -0.114
local terms energy: -61.923972
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -11.868
Dist. restrs. and SS energy: 7.597 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -169.904577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.904577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.544253 (E_RNA)
where:
Base-Base interactions energy: -128.951
where: short stacking energy: -57.188
Base-Backbone interact. energy: -0.000
local terms energy: -47.593033
where:
bonds (distance) C4'-P energy: -10.003
bonds (distance) P-C4' energy: -10.139
flat angles C4'-P-C4' energy: -8.618
flat angles P-C4'-P energy: -7.168
tors. eta vs tors. theta energy: -11.665
Dist. restrs. and SS energy: 6.640 (S_DIST_RNA)
chem. 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: -228.157840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.157840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.157840 (E_RNA)
where:
Base-Base interactions energy: -156.470
where: short stacking energy: -66.281
Base-Backbone interact. energy: 0.226
local terms energy: -71.913943
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -11.915
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -19.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -214.494522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.494522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.616612 (E_RNA)
where:
Base-Base interactions energy: -144.319
where: short stacking energy: -55.534
Base-Backbone interact. energy: -0.000
local terms energy: -70.297642
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -15.059
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: 3, replica: 3
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -211.653724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.653724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.864881 (E_RNA)
where:
Base-Base interactions energy: -145.705
where: short stacking energy: -59.414
Base-Backbone interact. energy: -0.001
local terms energy: -66.158724
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -15.277
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: 2
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -211.468631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.468631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.482259 (E_RNA)
where:
Base-Base interactions energy: -146.566
where: short stacking energy: -61.838
Base-Backbone interact. energy: -0.003
local terms energy: -64.912779
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -7.132
tors. eta vs tors. theta energy: -17.005
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: 9
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -209.093829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.093829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.304434 (E_RNA)
where:
Base-Base interactions energy: -141.712
where: short stacking energy: -59.612
Base-Backbone interact. energy: -0.001
local terms energy: -67.591406
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -14.438
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: 6, replica: 6
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -202.494313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.494313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.645540 (E_RNA)
where:
Base-Base interactions energy: -144.503
where: short stacking energy: -53.770
Base-Backbone interact. energy: 0.663
local terms energy: -58.805998
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -10.001
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -12.925
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: 7, replica: 1
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -200.127411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.127411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.195225 (E_RNA)
where:
Base-Base interactions energy: -144.597
where: short stacking energy: -56.858
Base-Backbone interact. energy: -0.038
local terms energy: -55.560588
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -6.271
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -11.595
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: 7
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -198.897423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.897423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.919808 (E_RNA)
where:
Base-Base interactions energy: -141.480
where: short stacking energy: -55.932
Base-Backbone interact. energy: -0.008
local terms energy: -57.431990
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -9.921
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -13.282
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: 5
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -171.998294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.998294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.063128 (E_RNA)
where:
Base-Base interactions energy: -127.948
where: short stacking energy: -54.884
Base-Backbone interact. energy: 2.347
local terms energy: -52.461837
where:
bonds (distance) C4'-P energy: -11.344
bonds (distance) P-C4' energy: -13.523
flat angles C4'-P-C4' energy: -8.402
flat angles P-C4'-P energy: -7.382
tors. eta vs tors. theta energy: -11.811
Dist. restrs. and SS energy: 6.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -169.957659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.957659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.733145 (E_RNA)
where:
Base-Base interactions energy: -118.697
where: short stacking energy: -55.100
Base-Backbone interact. energy: -0.939
local terms energy: -58.097587
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -9.637
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -13.537
Dist. restrs. and SS energy: 7.775 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -232.456739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.456739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.484716 (E_RNA)
where:
Base-Base interactions energy: -165.835
where: short stacking energy: -66.512
Base-Backbone interact. energy: -0.000
local terms energy: -66.649576
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -11.758
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -7.548
tors. eta vs tors. theta energy: -17.211
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: 216
Temperature: 0.950000
Total energy: -215.994498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.994498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.994498 (E_RNA)
where:
Base-Base interactions energy: -153.148
where: short stacking energy: -59.024
Base-Backbone interact. energy: -0.011
local terms energy: -62.834648
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -10.986
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -9.154
tors. eta vs tors. theta energy: -15.017
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -215.529164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.529164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.570305 (E_RNA)
where:
Base-Base interactions energy: -148.478
where: short stacking energy: -63.538
Base-Backbone interact. energy: -0.041
local terms energy: -67.051888
where:
bonds (distance) C4'-P energy: -9.089
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -18.946
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: 3
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -214.409547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.409547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.505930 (E_RNA)
where:
Base-Base interactions energy: -144.920
where: short stacking energy: -62.327
Base-Backbone interact. energy: -0.048
local terms energy: -69.537873
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -16.985
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: 6
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -214.123972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.123972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.134027 (E_RNA)
where:
Base-Base interactions energy: -141.747
where: short stacking energy: -58.690
Base-Backbone interact. energy: -0.000
local terms energy: -72.387241
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: -16.979
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: 9
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -205.982596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.982596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.005187 (E_RNA)
where:
Base-Base interactions energy: -141.349
where: short stacking energy: -59.932
Base-Backbone interact. energy: -0.389
local terms energy: -64.267079
where:
bonds (distance) C4'-P energy: -13.335
bonds (distance) P-C4' energy: -11.848
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -16.004
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: 7
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -197.621791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.621791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.663428 (E_RNA)
where:
Base-Base interactions energy: -140.062
where: short stacking energy: -53.519
Base-Backbone interact. energy: -0.078
local terms energy: -57.523391
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -7.875
flat angles P-C4'-P energy: -6.968
tors. eta vs tors. theta energy: -15.176
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: 8, replica: 1
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -194.388010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.388010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.484512 (E_RNA)
where:
Base-Base interactions energy: -138.140
where: short stacking energy: -54.954
Base-Backbone interact. energy: -0.850
local terms energy: -55.494381
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -9.928
flat angles C4'-P-C4' energy: -11.976
flat angles P-C4'-P energy: -6.854
tors. eta vs tors. theta energy: -15.383
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: 4
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -184.267249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.267249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.627826 (E_RNA)
where:
Base-Base interactions energy: -138.612
where: short stacking energy: -55.000
Base-Backbone interact. energy: -0.273
local terms energy: -52.742384
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -13.055
flat angles C4'-P-C4' energy: -7.359
flat angles P-C4'-P energy: -5.453
tors. eta vs tors. theta energy: -14.250
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: 10, replica: 5
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -176.137285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.137285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.164501 (E_RNA)
where:
Base-Base interactions energy: -127.729
where: short stacking energy: -53.527
Base-Backbone interact. energy: -1.001
local terms energy: -55.434909
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -11.848
flat angles C4'-P-C4' energy: -6.643
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -15.774
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: 1, replica: 10
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -234.397217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.397217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.397217 (E_RNA)
where:
Base-Base interactions energy: -171.549
where: short stacking energy: -69.950
Base-Backbone interact. energy: -0.003
local terms energy: -62.844872
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -3.966
tors. eta vs tors. theta energy: -17.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -214.401304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.401304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.562614 (E_RNA)
where:
Base-Base interactions energy: -151.193
where: short stacking energy: -63.061
Base-Backbone interact. energy: -0.015
local terms energy: -63.354518
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: -16.530
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: 3, replica: 2
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -215.138827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.138827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.169448 (E_RNA)
where:
Base-Base interactions energy: -156.913
where: short stacking energy: -59.520
Base-Backbone interact. energy: -0.099
local terms energy: -58.157588
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -12.894
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -6.518
tors. eta vs tors. theta energy: -13.821
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: 217
Temperature: 1.050000
Total energy: -209.373642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.373642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.373642 (E_RNA)
where:
Base-Base interactions energy: -143.764
where: short stacking energy: -57.742
Base-Backbone interact. energy: -0.035
local terms energy: -65.574541
where:
bonds (distance) C4'-P energy: -10.082
bonds (distance) P-C4' energy: -11.015
flat angles C4'-P-C4' energy: -16.508
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -18.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -219.442275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.442275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.554365 (E_RNA)
where:
Base-Base interactions energy: -156.567
where: short stacking energy: -60.454
Base-Backbone interact. energy: -0.043
local terms energy: -62.944519
where:
bonds (distance) C4'-P energy: -11.941
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -4.591
tors. eta vs tors. theta energy: -16.256
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: 217
Temperature: 1.150000
Total energy: -204.314555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.314555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.437131 (E_RNA)
where:
Base-Base interactions energy: -137.877
where: short stacking energy: -58.224
Base-Backbone interact. energy: -0.021
local terms energy: -66.539267
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -10.475
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -17.197
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: 7, replica: 7
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -202.885419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.885419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.151187 (E_RNA)
where:
Base-Base interactions energy: -142.083
where: short stacking energy: -54.716
Base-Backbone interact. energy: -0.678
local terms energy: -60.389651
where:
bonds (distance) C4'-P energy: -10.906
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -12.274
Dist. restrs. and SS energy: 0.266 (S_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: 217
Temperature: 1.250000
Total energy: -199.379306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.379306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.441420 (E_RNA)
where:
Base-Base interactions energy: -140.107
where: short stacking energy: -58.066
Base-Backbone interact. energy: -0.003
local terms energy: -59.331848
where:
bonds (distance) C4'-P energy: -10.210
bonds (distance) P-C4' energy: -11.672
flat angles C4'-P-C4' energy: -13.122
flat angles P-C4'-P energy: -7.983
tors. eta vs tors. theta energy: -16.345
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: 217
Temperature: 1.300000
Total energy: -172.890079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.890079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.609419 (E_RNA)
where:
Base-Base interactions energy: -121.424
where: short stacking energy: -57.377
Base-Backbone interact. energy: -0.099
local terms energy: -60.086601
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -6.138
tors. eta vs tors. theta energy: -14.954
Dist. restrs. and SS energy: 8.719 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -178.496807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.496807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.246359 (E_RNA)
where:
Base-Base interactions energy: -128.202
where: short stacking energy: -49.939
Base-Backbone interact. energy: -0.062
local terms energy: -57.981703
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -10.179
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -13.283
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: 1, replica: 8
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -225.971288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.971288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.009385 (E_RNA)
where:
Base-Base interactions energy: -161.479
where: short stacking energy: -65.847
Base-Backbone interact. energy: -0.042
local terms energy: -64.487599
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -3.597
tors. eta vs tors. theta energy: -17.490
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: 10
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -219.602090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.602090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.723558 (E_RNA)
where:
Base-Base interactions energy: -162.304
where: short stacking energy: -65.921
Base-Backbone interact. energy: -0.018
local terms energy: -57.401229
where:
bonds (distance) C4'-P energy: -9.913
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -5.917
tors. eta vs tors. theta energy: -14.744
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: 6
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -217.914685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.914685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.917016 (E_RNA)
where:
Base-Base interactions energy: -154.628
where: short stacking energy: -60.142
Base-Backbone interact. energy: -0.345
local terms energy: -62.944290
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -13.409
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -13.205
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: 2
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -209.495359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.495359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.641443 (E_RNA)
where:
Base-Base interactions energy: -153.216
where: short stacking energy: -67.240
Base-Backbone interact. energy: -0.091
local terms energy: -56.334649
where:
bonds (distance) C4'-P energy: -8.443
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -5.216
tors. eta vs tors. theta energy: -14.332
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: 9
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -214.631678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.631678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.643080 (E_RNA)
where:
Base-Base interactions energy: -151.677
where: short stacking energy: -68.435
Base-Backbone interact. energy: -0.001
local terms energy: -62.965272
where:
bonds (distance) C4'-P energy: -9.253
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -10.262
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -20.078
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: 3
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -211.277360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.277360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.839166 (E_RNA)
where:
Base-Base interactions energy: -155.250
where: short stacking energy: -62.651
Base-Backbone interact. energy: -0.013
local terms energy: -56.576360
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -11.938
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -1.445
tors. eta vs tors. theta energy: -18.047
Dist. restrs. and SS energy: 0.562 (S_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: 218
Temperature: 1.200000
Total energy: -205.215100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.215100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.301176 (E_RNA)
where:
Base-Base interactions energy: -141.169
where: short stacking energy: -56.153
Base-Backbone interact. energy: -0.008
local terms energy: -64.124356
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -10.828
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -9.825
tors. eta vs tors. theta energy: -16.691
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: 218
Temperature: 1.250000
Total energy: -201.498067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.498067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.663434 (E_RNA)
where:
Base-Base interactions energy: -145.215
where: short stacking energy: -57.478
Base-Backbone interact. energy: -0.305
local terms energy: -56.142967
where:
bonds (distance) C4'-P energy: -11.348
bonds (distance) P-C4' energy: -10.180
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -7.664
tors. eta vs tors. theta energy: -14.857
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: 9, replica: 5
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -173.565697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.565697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.683167 (E_RNA)
where:
Base-Base interactions energy: -125.089
where: short stacking energy: -56.402
Base-Backbone interact. energy: -0.517
local terms energy: -56.076472
where:
bonds (distance) C4'-P energy: -10.260
bonds (distance) P-C4' energy: -11.460
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -12.699
Dist. restrs. and SS energy: 8.117 (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: 218
Temperature: 1.350000
Total energy: -177.820035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.820035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.919601 (E_RNA)
where:
Base-Base interactions energy: -125.735
where: short stacking energy: -53.892
Base-Backbone interact. energy: -0.048
local terms energy: -59.136674
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -13.190
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -4.060
tors. eta vs tors. theta energy: -14.812
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: 1, replica: 8
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -221.962602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.962602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.036200 (E_RNA)
where:
Base-Base interactions energy: -164.321
where: short stacking energy: -65.937
Base-Backbone interact. energy: -0.309
local terms energy: -57.405984
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -8.994
flat angles P-C4'-P energy: -2.744
tors. eta vs tors. theta energy: -17.509
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: 6
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -222.387521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.387521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.437866 (E_RNA)
where:
Base-Base interactions energy: -155.447
where: short stacking energy: -64.272
Base-Backbone interact. energy: -0.004
local terms energy: -66.987203
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -12.957
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -15.548
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: 3, replica: 10
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -218.778564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.778564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.781858 (E_RNA)
where:
Base-Base interactions energy: -165.313
where: short stacking energy: -62.595
Base-Backbone interact. energy: -0.018
local terms energy: -53.450383
where:
bonds (distance) C4'-P energy: -10.332
bonds (distance) P-C4' energy: -12.271
flat angles C4'-P-C4' energy: -12.687
flat angles P-C4'-P energy: -4.537
tors. eta vs tors. theta energy: -13.623
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: 9
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -207.903245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.903245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.917178 (E_RNA)
where:
Base-Base interactions energy: -149.424
where: short stacking energy: -60.952
Base-Backbone interact. energy: -0.428
local terms energy: -58.065613
where:
bonds (distance) C4'-P energy: -11.795
bonds (distance) P-C4' energy: -12.576
flat angles C4'-P-C4' energy: -11.555
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: -15.010
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: 5, replica: 2
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -203.072002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.072002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.420763 (E_RNA)
where:
Base-Base interactions energy: -151.666
where: short stacking energy: -59.732
Base-Backbone interact. energy: -0.002
local terms energy: -51.752662
where:
bonds (distance) C4'-P energy: -3.293
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -12.169
flat angles P-C4'-P energy: -4.638
tors. eta vs tors. theta energy: -18.339
Dist. restrs. and SS energy: 0.349 (S_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: 219
Temperature: 1.150000
Total energy: -205.970214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.970214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.970214 (E_RNA)
where:
Base-Base interactions energy: -144.076
where: short stacking energy: -58.809
Base-Backbone interact. energy: -0.075
local terms energy: -61.819125
where:
bonds (distance) C4'-P energy: -10.090
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -12.050
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: -15.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -207.418116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.418116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.536682 (E_RNA)
where:
Base-Base interactions energy: -147.199
where: short stacking energy: -61.683
Base-Backbone interact. energy: -0.003
local terms energy: -60.335122
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -8.049
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -17.144
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: 5
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -175.317744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.317744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.227738 (E_RNA)
where:
Base-Base interactions energy: -128.681
where: short stacking energy: -59.631
Base-Backbone interact. energy: -0.021
local terms energy: -54.525721
where:
bonds (distance) C4'-P energy: -9.057
bonds (distance) P-C4' energy: -9.391
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -6.302
tors. eta vs tors. theta energy: -14.819
Dist. restrs. and SS energy: 7.910 (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: 7
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -190.904735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.904735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.913323 (E_RNA)
where:
Base-Base interactions energy: -142.823
where: short stacking energy: -53.845
Base-Backbone interact. energy: 0.430
local terms energy: -48.521089
where:
bonds (distance) C4'-P energy: -5.159
bonds (distance) P-C4' energy: -9.921
flat angles C4'-P-C4' energy: -10.290
flat angles P-C4'-P energy: -9.966
tors. eta vs tors. theta energy: -13.185
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: 4
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -174.766340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.766340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.299407 (E_RNA)
where:
Base-Base interactions energy: -126.532
where: short stacking energy: -53.309
Base-Backbone interact. energy: -0.515
local terms energy: -56.252412
where:
bonds (distance) C4'-P energy: -7.366
bonds (distance) P-C4' energy: -11.218
flat angles C4'-P-C4' energy: -11.854
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: -15.332
Dist. restrs. and SS energy: 8.533 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -220.521313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.521313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.521313 (E_RNA)
where:
Base-Base interactions energy: -152.499
where: short stacking energy: -62.739
Base-Backbone interact. energy: -0.046
local terms energy: -67.976465
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -17.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -216.004554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.004554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.100398 (E_RNA)
where:
Base-Base interactions energy: -151.099
where: short stacking energy: -67.041
Base-Backbone interact. energy: -0.518
local terms energy: -64.483648
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -7.786
tors. eta vs tors. theta energy: -15.534
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: 3, replica: 9
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -216.391452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.391452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.500350 (E_RNA)
where:
Base-Base interactions energy: -151.614
where: short stacking energy: -61.789
Base-Backbone interact. energy: -0.003
local terms energy: -64.883984
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -4.737
tors. eta vs tors. theta energy: -16.668
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: 220
Temperature: 1.050000
Total energy: -213.791331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.791331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.803855 (E_RNA)
where:
Base-Base interactions energy: -149.915
where: short stacking energy: -51.607
Base-Backbone interact. energy: -0.505
local terms energy: -63.383497
where:
bonds (distance) C4'-P energy: -10.447
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -11.288
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -17.415
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: 1
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -207.923853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.923853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.940450 (E_RNA)
where:
Base-Base interactions energy: -144.364
where: short stacking energy: -56.837
Base-Backbone interact. energy: -0.028
local terms energy: -63.548461
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -13.132
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: 2
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -209.917712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.917712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.928739 (E_RNA)
where:
Base-Base interactions energy: -152.697
where: short stacking energy: -66.779
Base-Backbone interact. energy: -0.070
local terms energy: -57.161583
where:
bonds (distance) C4'-P energy: -6.820
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -11.958
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -15.630
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: 5
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -191.776757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.776757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.861549 (E_RNA)
where:
Base-Base interactions energy: -143.098
where: short stacking energy: -61.314
Base-Backbone interact. energy: -0.078
local terms energy: -56.685453
where:
bonds (distance) C4'-P energy: -9.098
bonds (distance) P-C4' energy: -8.427
flat angles C4'-P-C4' energy: -11.456
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -17.306
Dist. restrs. and SS energy: 8.085 (S_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: 220
Temperature: 1.250000
Total energy: -195.907047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.907047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.946486 (E_RNA)
where:
Base-Base interactions energy: -142.550
where: short stacking energy: -56.637
Base-Backbone interact. energy: -0.079
local terms energy: -53.317331
where:
bonds (distance) C4'-P energy: -11.276
bonds (distance) P-C4' energy: -7.815
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -7.575
tors. eta vs tors. theta energy: -13.740
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: 9, replica: 4
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -187.284666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.284666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.442388 (E_RNA)
where:
Base-Base interactions energy: -137.229
where: short stacking energy: -57.347
Base-Backbone interact. energy: -0.276
local terms energy: -56.937443
where:
bonds (distance) C4'-P energy: -10.398
bonds (distance) P-C4' energy: -10.127
flat angles C4'-P-C4' energy: -10.473
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -17.181
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: 7
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -200.303738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.303738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.471659 (E_RNA)
where:
Base-Base interactions energy: -148.723
where: short stacking energy: -59.674
Base-Backbone interact. energy: 0.216
local terms energy: -51.964704
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -7.283
flat angles C4'-P-C4' energy: -8.948
flat angles P-C4'-P energy: -8.935
tors. eta vs tors. theta energy: -14.765
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: 1, replica: 6
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -222.425839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.425839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.446330 (E_RNA)
where:
Base-Base interactions energy: -152.939
where: short stacking energy: -64.299
Base-Backbone interact. energy: -0.172
local terms energy: -69.334459
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -9.744
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -17.933
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: 9
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -219.641333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.641333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.751679 (E_RNA)
where:
Base-Base interactions energy: -153.551
where: short stacking energy: -60.244
Base-Backbone interact. energy: -0.001
local terms energy: -66.199578
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -11.845
flat angles P-C4'-P energy: -8.383
tors. eta vs tors. theta energy: -18.149
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: 221
Temperature: 1.000000
Total energy: -215.950191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.950191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.994960 (E_RNA)
where:
Base-Base interactions energy: -148.413
where: short stacking energy: -65.098
Base-Backbone interact. energy: -0.866
local terms energy: -66.715612
where:
bonds (distance) C4'-P energy: -12.611
bonds (distance) P-C4' energy: -13.903
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -16.353
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: 1
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -205.593639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.593639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.631941 (E_RNA)
where:
Base-Base interactions energy: -142.406
where: short stacking energy: -54.771
Base-Backbone interact. energy: -0.095
local terms energy: -63.131616
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -10.268
flat angles C4'-P-C4' energy: -11.883
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -15.239
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: 221
Temperature: 1.100000
Total energy: -207.250051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.250051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.300550 (E_RNA)
where:
Base-Base interactions energy: -147.525
where: short stacking energy: -59.870
Base-Backbone interact. energy: 0.960
local terms energy: -60.736038
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -2.840
tors. eta vs tors. theta energy: -16.959
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: 2
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -212.206163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.206163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.502296 (E_RNA)
where:
Base-Base interactions energy: -148.824
where: short stacking energy: -61.607
Base-Backbone interact. energy: 0.090
local terms energy: -63.768140
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -11.924
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -16.506
Dist. restrs. and SS energy: 0.296 (S_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: 221
Temperature: 1.200000
Total energy: -183.773415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.773415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.818061 (E_RNA)
where:
Base-Base interactions energy: -136.340
where: short stacking energy: -54.383
Base-Backbone interact. energy: -1.167
local terms energy: -53.311064
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -6.754
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -10.769
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: 8, replica: 3
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -197.000002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.000002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.015019 (E_RNA)
where:
Base-Base interactions energy: -134.847
where: short stacking energy: -52.403
Base-Backbone interact. energy: -0.281
local terms energy: -61.886784
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -11.724
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: -14.542
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: 221
Temperature: 1.300000
Total energy: -180.773319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.773319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.504259 (E_RNA)
where:
Base-Base interactions energy: -138.598
where: short stacking energy: -58.991
Base-Backbone interact. energy: -0.004
local terms energy: -49.902571
where:
bonds (distance) C4'-P energy: -5.656
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -4.924
tors. eta vs tors. theta energy: -13.983
Dist. restrs. and SS energy: 7.731 (S_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: 221
Temperature: 1.350000
Total energy: -210.485561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.485561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.589589 (E_RNA)
where:
Base-Base interactions energy: -156.290
where: short stacking energy: -60.558
Base-Backbone interact. energy: -0.023
local terms energy: -54.277077
where:
bonds (distance) C4'-P energy: -9.527
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -11.078
flat angles P-C4'-P energy: -2.538
tors. eta vs tors. theta energy: -16.693
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: 9
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -221.904743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.904743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.968669 (E_RNA)
where:
Base-Base interactions energy: -154.276
where: short stacking energy: -62.975
Base-Backbone interact. energy: -0.002
local terms energy: -67.690539
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -13.947
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: 6
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -212.022348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.022348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.075474 (E_RNA)
where:
Base-Base interactions energy: -144.197
where: short stacking energy: -60.519
Base-Backbone interact. energy: -0.001
local terms energy: -67.878216
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -14.661
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: -17.043
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: 1
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -225.830774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.830774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.858701 (E_RNA)
where:
Base-Base interactions energy: -169.651
where: short stacking energy: -66.797
Base-Backbone interact. energy: -0.067
local terms energy: -56.140102
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -9.709
flat angles C4'-P-C4' energy: -12.498
flat angles P-C4'-P energy: -3.821
tors. eta vs tors. theta energy: -18.001
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: 8
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -218.152043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.152043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.290897 (E_RNA)
where:
Base-Base interactions energy: -154.658
where: short stacking energy: -63.662
Base-Backbone interact. energy: -0.001
local terms energy: -63.631790
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -7.879
tors. eta vs tors. theta energy: -16.507
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: 5, replica: 2
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -209.534291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.534291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.552464 (E_RNA)
where:
Base-Base interactions energy: -156.524
where: short stacking energy: -66.778
Base-Backbone interact. energy: -0.047
local terms energy: -52.981164
where:
bonds (distance) C4'-P energy: -8.840
bonds (distance) P-C4' energy: -8.640
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -7.073
tors. eta vs tors. theta energy: -15.517
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: 10
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -206.657282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.657282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.702438 (E_RNA)
where:
Base-Base interactions energy: -147.953
where: short stacking energy: -56.318
Base-Backbone interact. energy: -0.070
local terms energy: -58.679389
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -9.778
flat angles C4'-P-C4' energy: -12.085
flat angles P-C4'-P energy: -4.684
tors. eta vs tors. theta energy: -17.630
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: 222
Temperature: 1.200000
Total energy: -192.634818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.634818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.634818 (E_RNA)
where:
Base-Base interactions energy: -141.214
where: short stacking energy: -57.744
Base-Backbone interact. energy: -0.016
local terms energy: -51.404846
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -10.375
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -3.051
tors. eta vs tors. theta energy: -12.493
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -185.780024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.780024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.516818 (E_RNA)
where:
Base-Base interactions energy: -132.242
where: short stacking energy: -54.857
Base-Backbone interact. energy: -0.004
local terms energy: -60.270889
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -15.164
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -6.523
tors. eta vs tors. theta energy: -15.004
Dist. restrs. and SS energy: 6.737 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -202.553386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.553386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.785966 (E_RNA)
where:
Base-Base interactions energy: -142.852
where: short stacking energy: -60.987
Base-Backbone interact. energy: -0.001
local terms energy: -59.933486
where:
bonds (distance) C4'-P energy: -10.981
bonds (distance) P-C4' energy: -13.027
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -7.948
tors. eta vs tors. theta energy: -15.045
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: -179.794472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.794472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.793261 (E_RNA)
where:
Base-Base interactions energy: -124.250
where: short stacking energy: -51.105
Base-Backbone interact. energy: -1.465
local terms energy: -61.078660
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -11.688
flat angles C4'-P-C4' energy: -12.485
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -16.950
Dist. restrs. and SS energy: 6.999 (S_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: 223
Temperature: 0.900000
Total energy: -222.055643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.055643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.087047 (E_RNA)
where:
Base-Base interactions energy: -153.451
where: short stacking energy: -61.965
Base-Backbone interact. energy: -0.000
local terms energy: -68.635980
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -17.585
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: 223
Temperature: 0.950000
Total energy: -228.109640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.109640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.148368 (E_RNA)
where:
Base-Base interactions energy: -163.185
where: short stacking energy: -66.063
Base-Backbone interact. energy: -0.000
local terms energy: -64.963333
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -5.971
tors. eta vs tors. theta energy: -18.154
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: 223
Temperature: 1.000000
Total energy: -209.886624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.886624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.904802 (E_RNA)
where:
Base-Base interactions energy: -142.784
where: short stacking energy: -58.646
Base-Backbone interact. energy: -0.000
local terms energy: -67.120482
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -15.870
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: 2
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -211.803440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.803440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.803440 (E_RNA)
where:
Base-Base interactions energy: -154.109
where: short stacking energy: -64.488
Base-Backbone interact. energy: -0.002
local terms energy: -57.692682
where:
bonds (distance) C4'-P energy: -9.871
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -14.574
flat angles P-C4'-P energy: -2.871
tors. eta vs tors. theta energy: -17.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -219.359271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.359271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.380783 (E_RNA)
where:
Base-Base interactions energy: -158.186
where: short stacking energy: -59.102
Base-Backbone interact. energy: 2.491
local terms energy: -63.685984
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -6.953
tors. eta vs tors. theta energy: -12.778
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: 3
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -199.277613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.277613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.317919 (E_RNA)
where:
Base-Base interactions energy: -141.803
where: short stacking energy: -55.204
Base-Backbone interact. energy: -0.266
local terms energy: -57.248758
where:
bonds (distance) C4'-P energy: -9.387
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -10.765
flat angles P-C4'-P energy: -9.842
tors. eta vs tors. theta energy: -12.659
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: 10
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -197.844561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.844561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.876763 (E_RNA)
where:
Base-Base interactions energy: -138.252
where: short stacking energy: -54.279
Base-Backbone interact. energy: -0.538
local terms energy: -59.087548
where:
bonds (distance) C4'-P energy: -10.890
bonds (distance) P-C4' energy: -12.896
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -9.105
tors. eta vs tors. theta energy: -13.359
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: 8, replica: 7
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -197.956712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.956712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.980419 (E_RNA)
where:
Base-Base interactions energy: -141.260
where: short stacking energy: -58.415
Base-Backbone interact. energy: -0.271
local terms energy: -56.450072
where:
bonds (distance) C4'-P energy: -8.559
bonds (distance) P-C4' energy: -11.009
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -13.964
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: 5
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -175.140648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.140648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.716137 (E_RNA)
where:
Base-Base interactions energy: -130.508
where: short stacking energy: -56.245
Base-Backbone interact. energy: -0.104
local terms energy: -52.103948
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -7.224
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -5.075
tors. eta vs tors. theta energy: -12.615
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: 10, replica: 4
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -183.482140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.482140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.303654 (E_RNA)
where:
Base-Base interactions energy: -133.323
where: short stacking energy: -58.535
Base-Backbone interact. energy: -0.001
local terms energy: -56.980059
where:
bonds (distance) C4'-P energy: -7.119
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -15.749
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: 1
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -230.446487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.446487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.539526 (E_RNA)
where:
Base-Base interactions energy: -167.512
where: short stacking energy: -71.119
Base-Backbone interact. energy: -0.005
local terms energy: -63.022208
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -5.407
tors. eta vs tors. theta energy: -16.019
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: 2, replica: 9
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -221.536778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.536778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.580798 (E_RNA)
where:
Base-Base interactions energy: -159.423
where: short stacking energy: -67.218
Base-Backbone interact. energy: -0.281
local terms energy: -61.876443
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -9.131
flat angles C4'-P-C4' energy: -12.597
flat angles P-C4'-P energy: -7.213
tors. eta vs tors. theta energy: -20.260
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: 224
Temperature: 1.000000
Total energy: -214.818041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.818041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.912188 (E_RNA)
where:
Base-Base interactions energy: -151.796
where: short stacking energy: -57.367
Base-Backbone interact. energy: -0.028
local terms energy: -63.088150
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -12.471
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: 4, replica: 2
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -210.212472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.212472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.259804 (E_RNA)
where:
Base-Base interactions energy: -143.584
where: short stacking energy: -62.978
Base-Backbone interact. energy: -0.140
local terms energy: -66.535739
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -10.952
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -19.078
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: 3
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -222.165005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.165005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.165005 (E_RNA)
where:
Base-Base interactions energy: -168.403
where: short stacking energy: -67.363
Base-Backbone interact. energy: -0.294
local terms energy: -53.468040
where:
bonds (distance) C4'-P energy: -10.481
bonds (distance) P-C4' energy: -10.703
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -1.448
tors. eta vs tors. theta energy: -18.342
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -209.644095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.644095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.746769 (E_RNA)
where:
Base-Base interactions energy: -145.321
where: short stacking energy: -57.172
Base-Backbone interact. energy: -0.067
local terms energy: -64.359409
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -13.569
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: 10
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -198.170900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.170900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.207776 (E_RNA)
where:
Base-Base interactions energy: -139.487
where: short stacking energy: -52.167
Base-Backbone interact. energy: -1.113
local terms energy: -57.607832
where:
bonds (distance) C4'-P energy: -11.101
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -6.712
tors. eta vs tors. theta energy: -13.323
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: 7
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -197.094684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.094684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.172421 (E_RNA)
where:
Base-Base interactions energy: -139.347
where: short stacking energy: -53.495
Base-Backbone interact. energy: -0.259
local terms energy: -57.566913
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -10.648
flat angles C4'-P-C4' energy: -11.196
flat angles P-C4'-P energy: -8.823
tors. eta vs tors. theta energy: -12.619
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: 224
Temperature: 1.300000
Total energy: -174.293433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.293433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.215341 (E_RNA)
where:
Base-Base interactions energy: -122.099
where: short stacking energy: -53.455
Base-Backbone interact. energy: -0.171
local terms energy: -59.945864
where:
bonds (distance) C4'-P energy: -11.228
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -14.173
Dist. restrs. and SS energy: 7.922 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -172.128815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.128815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.461085 (E_RNA)
where:
Base-Base interactions energy: -123.778
where: short stacking energy: -51.669
Base-Backbone interact. energy: -0.707
local terms energy: -54.976513
where:
bonds (distance) C4'-P energy: -8.017
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -5.624
tors. eta vs tors. theta energy: -12.684
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: 1, replica: 1
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -231.029758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.029758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.055702 (E_RNA)
where:
Base-Base interactions energy: -169.014
where: short stacking energy: -67.476
Base-Backbone interact. energy: 0.304
local terms energy: -62.346269
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -6.873
tors. eta vs tors. theta energy: -16.818
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: 6
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -208.548612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.548612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.718154 (E_RNA)
where:
Base-Base interactions energy: -143.191
where: short stacking energy: -62.217
Base-Backbone interact. energy: -0.001
local terms energy: -65.526701
where:
bonds (distance) C4'-P energy: -12.342
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -11.971
flat angles P-C4'-P energy: -9.587
tors. eta vs tors. theta energy: -16.315
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: 3, replica: 9
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -212.424733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.424733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.480430 (E_RNA)
where:
Base-Base interactions energy: -143.719
where: short stacking energy: -64.524
Base-Backbone interact. energy: -0.006
local terms energy: -68.755810
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -8.792
tors. eta vs tors. theta energy: -16.049
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: 4, replica: 2
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -204.706859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.706859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.762065 (E_RNA)
where:
Base-Base interactions energy: -141.189
where: short stacking energy: -53.128
Base-Backbone interact. energy: -0.028
local terms energy: -63.545537
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -11.057
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -16.716
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: 225
Temperature: 1.100000
Total energy: -205.896814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.896814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.958142 (E_RNA)
where:
Base-Base interactions energy: -148.135
where: short stacking energy: -62.008
Base-Backbone interact. energy: -0.029
local terms energy: -57.794037
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -7.544
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -14.172
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: 10
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -203.596930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.596930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.878438 (E_RNA)
where:
Base-Base interactions energy: -141.508
where: short stacking energy: -52.728
Base-Backbone interact. energy: -0.131
local terms energy: -62.239414
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: -16.924
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: 7, replica: 8
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -206.703599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.703599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.707088 (E_RNA)
where:
Base-Base interactions energy: -139.612
where: short stacking energy: -57.634
Base-Backbone interact. energy: -0.722
local terms energy: -66.373196
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -15.638
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: 225
Temperature: 1.250000
Total energy: -175.214705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.214705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.279826 (E_RNA)
where:
Base-Base interactions energy: -124.767
where: short stacking energy: -53.882
Base-Backbone interact. energy: -0.023
local terms energy: -57.489306
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -12.576
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -10.074
Dist. restrs. and SS energy: 7.065 (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: 7
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -193.434966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.434966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.485708 (E_RNA)
where:
Base-Base interactions energy: -133.985
where: short stacking energy: -52.804
Base-Backbone interact. energy: -0.243
local terms energy: -59.257748
where:
bonds (distance) C4'-P energy: -12.328
bonds (distance) P-C4' energy: -8.648
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -16.088
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: 10, replica: 5
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -175.563557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.563557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.602517 (E_RNA)
where:
Base-Base interactions energy: -129.869
where: short stacking energy: -58.567
Base-Backbone interact. energy: -1.302
local terms energy: -51.431227
where:
bonds (distance) C4'-P energy: -6.049
bonds (distance) P-C4' energy: -8.051
flat angles C4'-P-C4' energy: -10.583
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -16.370
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: 1, replica: 6
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -221.663415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.663415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.845323 (E_RNA)
where:
Base-Base interactions energy: -154.096
where: short stacking energy: -67.180
Base-Backbone interact. energy: -0.500
local terms energy: -67.249361
where:
bonds (distance) C4'-P energy: -10.624
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -12.710
tors. eta vs tors. theta energy: -16.039
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: 1
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -214.883268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.883268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.899693 (E_RNA)
where:
Base-Base interactions energy: -144.510
where: short stacking energy: -58.774
Base-Backbone interact. energy: -0.005
local terms energy: -70.384102
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -16.287
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: 226
Temperature: 1.000000
Total energy: -207.339257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.339257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.354574 (E_RNA)
where:
Base-Base interactions energy: -145.169
where: short stacking energy: -57.053
Base-Backbone interact. energy: -0.128
local terms energy: -62.057650
where:
bonds (distance) C4'-P energy: -12.528
bonds (distance) P-C4' energy: -10.977
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -15.242
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: 226
Temperature: 1.050000
Total energy: -215.802982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.802982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.876749 (E_RNA)
where:
Base-Base interactions energy: -146.986
where: short stacking energy: -63.529
Base-Backbone interact. energy: -0.001
local terms energy: -68.889800
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -12.091
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -11.898
tors. eta vs tors. theta energy: -16.355
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: 5, replica: 10
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -207.923391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.923391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.083215 (E_RNA)
where:
Base-Base interactions energy: -142.329
where: short stacking energy: -60.589
Base-Backbone interact. energy: -0.224
local terms energy: -65.530758
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -7.450
tors. eta vs tors. theta energy: -15.569
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: 6, replica: 3
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -205.357239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.357239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.465004 (E_RNA)
where:
Base-Base interactions energy: -143.550
where: short stacking energy: -61.169
Base-Backbone interact. energy: -0.002
local terms energy: -61.913830
where:
bonds (distance) C4'-P energy: -8.016
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -13.827
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -17.814
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: 7, replica: 8
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -197.815864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.815864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.912883 (E_RNA)
where:
Base-Base interactions energy: -139.713
where: short stacking energy: -57.644
Base-Backbone interact. energy: 0.043
local terms energy: -58.243275
where:
bonds (distance) C4'-P energy: -7.076
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -12.508
flat angles P-C4'-P energy: -8.720
tors. eta vs tors. theta energy: -15.625
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: 4
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -173.287586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.287586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.178984 (E_RNA)
where:
Base-Base interactions energy: -129.892
where: short stacking energy: -56.378
Base-Backbone interact. energy: -0.009
local terms energy: -52.277971
where:
bonds (distance) C4'-P energy: -9.987
bonds (distance) P-C4' energy: -11.528
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -5.839
tors. eta vs tors. theta energy: -12.376
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: 9, replica: 5
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -174.675203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.675203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.812229 (E_RNA)
where:
Base-Base interactions energy: -119.994
where: short stacking energy: -56.665
Base-Backbone interact. energy: 0.290
local terms energy: -62.108620
where:
bonds (distance) C4'-P energy: -9.734
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -8.764
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -15.758
Dist. restrs. and SS energy: 7.137 (S_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: 226
Temperature: 1.350000
Total energy: -195.768307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.768307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.794332 (E_RNA)
where:
Base-Base interactions energy: -147.417
where: short stacking energy: -58.248
Base-Backbone interact. energy: 0.430
local terms energy: -48.806512
where:
bonds (distance) C4'-P energy: -9.619
bonds (distance) P-C4' energy: -11.806
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -2.377
tors. eta vs tors. theta energy: -11.078
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: 6
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -223.334211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.334211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.374294 (E_RNA)
where:
Base-Base interactions energy: -155.000
where: short stacking energy: -61.220
Base-Backbone interact. energy: -0.636
local terms energy: -67.738929
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -6.121
tors. eta vs tors. theta energy: -18.417
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: 1
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -218.699937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.699937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.700674 (E_RNA)
where:
Base-Base interactions energy: -152.707
where: short stacking energy: -63.947
Base-Backbone interact. energy: 0.672
local terms energy: -66.665810
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -12.891
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -17.348
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: 227
Temperature: 1.000000
Total energy: -208.774494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.774494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.774494 (E_RNA)
where:
Base-Base interactions energy: -139.747
where: short stacking energy: -55.936
Base-Backbone interact. energy: -0.001
local terms energy: -69.026124
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -16.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -210.565927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.565927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.597556 (E_RNA)
where:
Base-Base interactions energy: -152.556
where: short stacking energy: -53.131
Base-Backbone interact. energy: -0.003
local terms energy: -58.038086
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -6.757
tors. eta vs tors. theta energy: -11.875
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: 9
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -209.830773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.830773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.917445 (E_RNA)
where:
Base-Base interactions energy: -141.713
where: short stacking energy: -59.387
Base-Backbone interact. energy: 0.018
local terms energy: -68.222310
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -12.292
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -18.822
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: 8
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -207.263434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.263434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.291181 (E_RNA)
where:
Base-Base interactions energy: -142.977
where: short stacking energy: -57.034
Base-Backbone interact. energy: -0.156
local terms energy: -64.157884
where:
bonds (distance) C4'-P energy: -8.741
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -19.354
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: 3
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -205.444262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.444262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.555730 (E_RNA)
where:
Base-Base interactions energy: -152.348
where: short stacking energy: -62.361
Base-Backbone interact. energy: 0.286
local terms energy: -53.493741
where:
bonds (distance) C4'-P energy: -8.970
bonds (distance) P-C4' energy: -10.615
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -4.281
tors. eta vs tors. theta energy: -15.602
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: 8, replica: 5
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -175.764659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.764659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.241750 (E_RNA)
where:
Base-Base interactions energy: -130.350
where: short stacking energy: -54.781
Base-Backbone interact. energy: 0.074
local terms energy: -52.965815
where:
bonds (distance) C4'-P energy: -9.565
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -8.013
flat angles P-C4'-P energy: -8.468
tors. eta vs tors. theta energy: -12.458
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: 9, replica: 4
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -179.310529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.310529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.485300 (E_RNA)
where:
Base-Base interactions energy: -142.332
where: short stacking energy: -55.063
Base-Backbone interact. energy: -0.019
local terms energy: -43.134180
where:
bonds (distance) C4'-P energy: -7.532
bonds (distance) P-C4' energy: -10.792
flat angles C4'-P-C4' energy: -8.397
flat angles P-C4'-P energy: -4.539
tors. eta vs tors. theta energy: -11.875
Dist. restrs. and SS energy: 6.175 (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: 227
Temperature: 1.350000
Total energy: -189.634417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.634417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.661765 (E_RNA)
where:
Base-Base interactions energy: -136.531
where: short stacking energy: -52.099
Base-Backbone interact. energy: -0.115
local terms energy: -53.015656
where:
bonds (distance) C4'-P energy: -9.345
bonds (distance) P-C4' energy: -13.089
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -4.475
tors. eta vs tors. theta energy: -13.640
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: 1, replica: 1
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -222.220171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.220171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.289302 (E_RNA)
where:
Base-Base interactions energy: -148.882
where: short stacking energy: -62.754
Base-Backbone interact. energy: -0.156
local terms energy: -73.251843
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -16.461
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -16.785
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: 6
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -217.178494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.178494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.192680 (E_RNA)
where:
Base-Base interactions energy: -154.245
where: short stacking energy: -59.453
Base-Backbone interact. energy: -0.000
local terms energy: -62.947734
where:
bonds (distance) C4'-P energy: -7.570
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -7.424
tors. eta vs tors. theta energy: -17.410
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: 10
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -212.684548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.684548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.698459 (E_RNA)
where:
Base-Base interactions energy: -148.348
where: short stacking energy: -63.206
Base-Backbone interact. energy: -0.041
local terms energy: -64.309066
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -10.465
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -15.974
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: 2
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -206.719429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.719429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.801192 (E_RNA)
where:
Base-Base interactions energy: -146.579
where: short stacking energy: -61.224
Base-Backbone interact. energy: -0.003
local terms energy: -60.219897
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -10.802
flat angles C4'-P-C4' energy: -10.394
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -16.958
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: 8
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -218.445318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.445318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.810520 (E_RNA)
where:
Base-Base interactions energy: -153.137
where: short stacking energy: -61.511
Base-Backbone interact. energy: -0.255
local terms energy: -65.418112
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -3.039
tors. eta vs tors. theta energy: -17.684
Dist. restrs. and SS energy: 0.365 (S_DIST_RNA)
chem. 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: -199.146639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.146639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.176023 (E_RNA)
where:
Base-Base interactions energy: -150.600
where: short stacking energy: -62.276
Base-Backbone interact. energy: -0.048
local terms energy: -48.527853
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -2.586
flat angles C4'-P-C4' energy: -8.305
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -17.155
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: 5
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -192.107293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.107293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.856887 (E_RNA)
where:
Base-Base interactions energy: -133.755
where: short stacking energy: -57.408
Base-Backbone interact. energy: -0.729
local terms energy: -65.372333
where:
bonds (distance) C4'-P energy: -11.332
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -11.564
tors. eta vs tors. theta energy: -15.456
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: 8, replica: 3
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -209.765529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.765529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.037532 (E_RNA)
where:
Base-Base interactions energy: -153.773
where: short stacking energy: -60.556
Base-Backbone interact. energy: -0.002
local terms energy: -56.262371
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -12.274
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -3.136
tors. eta vs tors. theta energy: -15.052
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: 9, replica: 7
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -196.292409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.292409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.298692 (E_RNA)
where:
Base-Base interactions energy: -137.379
where: short stacking energy: -53.599
Base-Backbone interact. energy: 1.201
local terms energy: -60.121152
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -8.463
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -8.667
tors. eta vs tors. theta energy: -16.234
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: 10, replica: 4
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -178.179790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.179790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.021275 (E_RNA)
where:
Base-Base interactions energy: -134.023
where: short stacking energy: -54.781
Base-Backbone interact. energy: -0.211
local terms energy: -51.786672
where:
bonds (distance) C4'-P energy: -8.344
bonds (distance) P-C4' energy: -8.330
flat angles C4'-P-C4' energy: -12.068
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -13.858
Dist. restrs. and SS energy: 7.841 (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: 229
Temperature: 0.900000
Total energy: -228.211132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.211132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.247294 (E_RNA)
where:
Base-Base interactions energy: -161.659
where: short stacking energy: -68.506
Base-Backbone interact. energy: -0.004
local terms energy: -66.584085
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -17.754
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: 229
Temperature: 0.950000
Total energy: -213.911499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.911499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.936903 (E_RNA)
where:
Base-Base interactions energy: -147.774
where: short stacking energy: -60.775
Base-Backbone interact. energy: -0.141
local terms energy: -66.021336
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -7.504
tors. eta vs tors. theta energy: -15.547
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: 229
Temperature: 1.000000
Total energy: -225.921838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.921838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.196783 (E_RNA)
where:
Base-Base interactions energy: -163.632
where: short stacking energy: -68.555
Base-Backbone interact. energy: -0.003
local terms energy: -62.562455
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -13.580
flat angles P-C4'-P energy: -3.407
tors. eta vs tors. theta energy: -16.570
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: 4, replica: 8
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -207.430170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.430170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.593849 (E_RNA)
where:
Base-Base interactions energy: -140.330
where: short stacking energy: -54.653
Base-Backbone interact. energy: -0.099
local terms energy: -67.164917
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -18.595
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: 5, replica: 2
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -208.233499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.233499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.327063 (E_RNA)
where:
Base-Base interactions energy: -142.472
where: short stacking energy: -58.109
Base-Backbone interact. energy: -0.126
local terms energy: -65.728892
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -11.983
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -16.467
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: 9
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -199.376966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.376966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.477053 (E_RNA)
where:
Base-Base interactions energy: -136.750
where: short stacking energy: -57.186
Base-Backbone interact. energy: 0.748
local terms energy: -63.475946
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -13.837
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: 5
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -190.924430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.924430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.000325 (E_RNA)
where:
Base-Base interactions energy: -133.251
where: short stacking energy: -54.426
Base-Backbone interact. energy: -0.309
local terms energy: -64.439363
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -12.795
flat angles C4'-P-C4' energy: -11.700
flat angles P-C4'-P energy: -7.652
tors. eta vs tors. theta energy: -17.461
Dist. restrs. and SS energy: 7.076 (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: 7
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -206.553968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.553968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.742958 (E_RNA)
where:
Base-Base interactions energy: -141.022
where: short stacking energy: -56.777
Base-Backbone interact. energy: -0.001
local terms energy: -65.719930
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -12.219
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -16.947
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: 9, replica: 3
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -192.926426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.926426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.144811 (E_RNA)
where:
Base-Base interactions energy: -140.182
where: short stacking energy: -57.950
Base-Backbone interact. energy: -0.007
local terms energy: -52.955366
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -11.267
flat angles C4'-P-C4' energy: -11.638
flat angles P-C4'-P energy: -5.147
tors. eta vs tors. theta energy: -9.415
Dist. restrs. and SS energy: 0.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -180.416476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.416476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.639180 (E_RNA)
where:
Base-Base interactions energy: -133.784
where: short stacking energy: -54.708
Base-Backbone interact. energy: -1.354
local terms energy: -52.501402
where:
bonds (distance) C4'-P energy: -8.940
bonds (distance) P-C4' energy: -11.102
flat angles C4'-P-C4' energy: -9.407
flat angles P-C4'-P energy: -7.623
tors. eta vs tors. theta energy: -15.428
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: 6
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -227.240724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.240724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.241984 (E_RNA)
where:
Base-Base interactions energy: -165.003
where: short stacking energy: -64.532
Base-Backbone interact. energy: -0.019
local terms energy: -62.219561
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -3.878
tors. eta vs tors. theta energy: -16.042
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: 230
Temperature: 0.950000
Total energy: -219.326285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.326285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.341170 (E_RNA)
where:
Base-Base interactions energy: -163.394
where: short stacking energy: -61.819
Base-Backbone interact. energy: -0.001
local terms energy: -55.946147
where:
bonds (distance) C4'-P energy: -11.009
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -10.957
flat angles P-C4'-P energy: -6.100
tors. eta vs tors. theta energy: -13.155
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: 10
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -216.738158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.738158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.748606 (E_RNA)
where:
Base-Base interactions energy: -150.353
where: short stacking energy: -57.746
Base-Backbone interact. energy: -0.109
local terms energy: -66.287044
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -15.650
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: 8
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -210.464341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.464341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.477107 (E_RNA)
where:
Base-Base interactions energy: -154.408
where: short stacking energy: -62.089
Base-Backbone interact. energy: -0.112
local terms energy: -55.957552
where:
bonds (distance) C4'-P energy: -10.818
bonds (distance) P-C4' energy: -8.751
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -7.227
tors. eta vs tors. theta energy: -15.110
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: 2
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -211.515914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.515914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.601940 (E_RNA)
where:
Base-Base interactions energy: -146.522
where: short stacking energy: -62.977
Base-Backbone interact. energy: -0.065
local terms energy: -65.014751
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -11.365
flat angles C4'-P-C4' energy: -12.647
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: -18.986
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: 9
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -198.393928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.393928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.445832 (E_RNA)
where:
Base-Base interactions energy: -142.158
where: short stacking energy: -56.223
Base-Backbone interact. energy: -0.280
local terms energy: -56.008307
where:
bonds (distance) C4'-P energy: -7.959
bonds (distance) P-C4' energy: -10.169
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -13.002
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: 5
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -193.857982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.857982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.364536 (E_RNA)
where:
Base-Base interactions energy: -136.934
where: short stacking energy: -58.487
Base-Backbone interact. energy: -0.119
local terms energy: -64.311916
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -11.750
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: -17.358
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: 7
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -200.869100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.869100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.036434 (E_RNA)
where:
Base-Base interactions energy: -142.243
where: short stacking energy: -61.633
Base-Backbone interact. energy: -0.002
local terms energy: -58.791514
where:
bonds (distance) C4'-P energy: -9.755
bonds (distance) P-C4' energy: -12.106
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -4.509
tors. eta vs tors. theta energy: -19.227
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: 9, replica: 3
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -204.263824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.263824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.324457 (E_RNA)
where:
Base-Base interactions energy: -138.011
where: short stacking energy: -57.108
Base-Backbone interact. energy: -0.000
local terms energy: -66.313638
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -11.068
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -17.864
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: 4
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -179.470370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.470370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.737030 (E_RNA)
where:
Base-Base interactions energy: -129.546
where: short stacking energy: -56.981
Base-Backbone interact. energy: -0.018
local terms energy: -57.173340
where:
bonds (distance) C4'-P energy: -10.463
bonds (distance) P-C4' energy: -10.179
flat angles C4'-P-C4' energy: -12.190
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -15.107
Dist. restrs. and SS energy: 7.267 (S_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: 231
Temperature: 0.900000
Total energy: -236.011545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.011545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.021665 (E_RNA)
where:
Base-Base interactions energy: -171.355
where: short stacking energy: -69.074
Base-Backbone interact. energy: -0.007
local terms energy: -64.659443
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -4.989
tors. eta vs tors. theta energy: -17.303
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: 231
Temperature: 0.950000
Total energy: -228.990554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.990554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.220258 (E_RNA)
where:
Base-Base interactions energy: -168.093
where: short stacking energy: -69.738
Base-Backbone interact. energy: -0.024
local terms energy: -61.102638
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -11.722
flat angles P-C4'-P energy: -4.071
tors. eta vs tors. theta energy: -16.579
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: 1
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -217.524175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.524175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.628093 (E_RNA)
where:
Base-Base interactions energy: -158.663
where: short stacking energy: -61.368
Base-Backbone interact. energy: -0.019
local terms energy: -58.945473
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -3.159
tors. eta vs tors. theta energy: -13.367
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: 4, replica: 2
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -219.384470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.384470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.400284 (E_RNA)
where:
Base-Base interactions energy: -154.757
where: short stacking energy: -62.071
Base-Backbone interact. energy: -0.578
local terms energy: -64.065364
where:
bonds (distance) C4'-P energy: -11.773
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -4.653
tors. eta vs tors. theta energy: -17.577
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: 8
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -211.757798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.757798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.941907 (E_RNA)
where:
Base-Base interactions energy: -157.050
where: short stacking energy: -61.905
Base-Backbone interact. energy: -0.210
local terms energy: -54.682639
where:
bonds (distance) C4'-P energy: -11.101
bonds (distance) P-C4' energy: -11.064
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -5.267
tors. eta vs tors. theta energy: -13.143
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: 6, replica: 9
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -203.235776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.235776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.259572 (E_RNA)
where:
Base-Base interactions energy: -141.432
where: short stacking energy: -57.326
Base-Backbone interact. energy: -0.575
local terms energy: -61.252610
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -12.523
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -6.771
tors. eta vs tors. theta energy: -16.403
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: 5
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -198.417302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.417302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.250169 (E_RNA)
where:
Base-Base interactions energy: -148.302
where: short stacking energy: -65.651
Base-Backbone interact. energy: -0.179
local terms energy: -57.769305
where:
bonds (distance) C4'-P energy: -10.132
bonds (distance) P-C4' energy: -12.425
flat angles C4'-P-C4' energy: -7.574
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -16.503
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: 8, replica: 3
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -192.271696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.271696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.302029 (E_RNA)
where:
Base-Base interactions energy: -131.767
where: short stacking energy: -47.906
Base-Backbone interact. energy: -0.772
local terms energy: -59.763290
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -10.100
flat angles C4'-P-C4' energy: -10.604
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -14.984
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: 7
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -200.847506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.847506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.092699 (E_RNA)
where:
Base-Base interactions energy: -134.937
where: short stacking energy: -55.809
Base-Backbone interact. energy: -0.033
local terms energy: -66.122122
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -7.487
tors. eta vs tors. theta energy: -15.457
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: 10, replica: 4
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -167.514665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.514665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.147094 (E_RNA)
where:
Base-Base interactions energy: -124.525
where: short stacking energy: -48.286
Base-Backbone interact. energy: -0.450
local terms energy: -51.172580
where:
bonds (distance) C4'-P energy: -8.976
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -6.931
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -11.823
Dist. restrs. and SS energy: 8.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -234.181281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.181281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.190585 (E_RNA)
where:
Base-Base interactions energy: -169.157
where: short stacking energy: -65.772
Base-Backbone interact. energy: -0.002
local terms energy: -65.030998
where:
bonds (distance) C4'-P energy: -13.786
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -6.711
tors. eta vs tors. theta energy: -17.040
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: 232
Temperature: 0.950000
Total energy: -225.944877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.944877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.141785 (E_RNA)
where:
Base-Base interactions energy: -160.405
where: short stacking energy: -62.155
Base-Backbone interact. energy: -0.242
local terms energy: -65.495378
where:
bonds (distance) C4'-P energy: -14.714
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -3.485
tors. eta vs tors. theta energy: -17.503
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: 3, replica: 2
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -208.920147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.920147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.080518 (E_RNA)
where:
Base-Base interactions energy: -144.760
where: short stacking energy: -61.158
Base-Backbone interact. energy: -0.195
local terms energy: -64.125689
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -12.021
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -16.347
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: 1
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -209.166603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.166603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.239322 (E_RNA)
where:
Base-Base interactions energy: -155.645
where: short stacking energy: -61.541
Base-Backbone interact. energy: -0.020
local terms energy: -53.574773
where:
bonds (distance) C4'-P energy: -10.463
bonds (distance) P-C4' energy: -11.464
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -7.077
tors. eta vs tors. theta energy: -10.454
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: 5, replica: 8
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -217.378316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.378316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.462556 (E_RNA)
where:
Base-Base interactions energy: -163.896
where: short stacking energy: -68.250
Base-Backbone interact. energy: -0.006
local terms energy: -53.560839
where:
bonds (distance) C4'-P energy: -11.055
bonds (distance) P-C4' energy: -11.309
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -1.007
tors. eta vs tors. theta energy: -17.067
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: 9
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -200.879454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.879454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.970964 (E_RNA)
where:
Base-Base interactions energy: -136.597
where: short stacking energy: -56.149
Base-Backbone interact. energy: -0.013
local terms energy: -64.361163
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -11.070
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -11.973
tors. eta vs tors. theta energy: -16.255
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: 3
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -201.894724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.894724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.911506 (E_RNA)
where:
Base-Base interactions energy: -140.516
where: short stacking energy: -50.570
Base-Backbone interact. energy: -0.050
local terms energy: -61.345938
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -11.260
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: 5
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -184.207430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.207430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.425636 (E_RNA)
where:
Base-Base interactions energy: -133.078
where: short stacking energy: -62.186
Base-Backbone interact. energy: -0.014
local terms energy: -58.333720
where:
bonds (distance) C4'-P energy: -10.342
bonds (distance) P-C4' energy: -9.778
flat angles C4'-P-C4' energy: -11.426
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -17.691
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: 9, replica: 7
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -198.909561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.909561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.909561 (E_RNA)
where:
Base-Base interactions energy: -144.555
where: short stacking energy: -58.926
Base-Backbone interact. energy: -0.148
local terms energy: -54.206213
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -8.412
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -5.206
tors. eta vs tors. theta energy: -16.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -171.096255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.096255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.039583 (E_RNA)
where:
Base-Base interactions energy: -124.839
where: short stacking energy: -48.876
Base-Backbone interact. energy: -0.025
local terms energy: -54.175504
where:
bonds (distance) C4'-P energy: -10.507
bonds (distance) P-C4' energy: -8.929
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -7.476
tors. eta vs tors. theta energy: -14.753
Dist. restrs. and SS energy: 7.943 (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: 233
Temperature: 0.900000
Total energy: -225.782022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.782022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.989768 (E_RNA)
where:
Base-Base interactions energy: -166.999
where: short stacking energy: -63.234
Base-Backbone interact. energy: -0.006
local terms energy: -58.984418
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -1.888
tors. eta vs tors. theta energy: -17.943
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: 2, replica: 6
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -232.592517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.592517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.752159 (E_RNA)
where:
Base-Base interactions energy: -169.531
where: short stacking energy: -68.230
Base-Backbone interact. energy: -0.324
local terms energy: -62.897342
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -14.274
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -1.897
tors. eta vs tors. theta energy: -17.516
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: 3, replica: 2
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -212.208860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.208860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.228272 (E_RNA)
where:
Base-Base interactions energy: -155.418
where: short stacking energy: -56.996
Base-Backbone interact. energy: -0.022
local terms energy: -56.788067
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -12.974
flat angles P-C4'-P energy: -2.365
tors. eta vs tors. theta energy: -13.618
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: 233
Temperature: 1.050000
Total energy: -213.754337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.754337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.805612 (E_RNA)
where:
Base-Base interactions energy: -159.482
where: short stacking energy: -62.896
Base-Backbone interact. energy: -0.010
local terms energy: -54.313112
where:
bonds (distance) C4'-P energy: -9.909
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -12.429
flat angles P-C4'-P energy: -3.855
tors. eta vs tors. theta energy: -13.919
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: 233
Temperature: 1.100000
Total energy: -209.256905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.256905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.304221 (E_RNA)
where:
Base-Base interactions energy: -144.349
where: short stacking energy: -58.671
Base-Backbone interact. energy: -0.417
local terms energy: -64.538204
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -13.347
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -16.609
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: 9
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -208.399346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.399346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.477257 (E_RNA)
where:
Base-Base interactions energy: -148.935
where: short stacking energy: -58.545
Base-Backbone interact. energy: 0.346
local terms energy: -59.887987
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -11.860
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -12.321
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: 3
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -202.498712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.498712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.502808 (E_RNA)
where:
Base-Base interactions energy: -139.391
where: short stacking energy: -54.748
Base-Backbone interact. energy: -0.237
local terms energy: -62.875491
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -12.544
flat angles C4'-P-C4' energy: -11.564
flat angles P-C4'-P energy: -9.504
tors. eta vs tors. theta energy: -14.742
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: 8, replica: 7
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -199.138956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.138956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.229820 (E_RNA)
where:
Base-Base interactions energy: -139.445
where: short stacking energy: -54.031
Base-Backbone interact. energy: -0.004
local terms energy: -59.781415
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -11.240
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: 9, replica: 5
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -176.527136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.527136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.501827 (E_RNA)
where:
Base-Base interactions energy: -134.927
where: short stacking energy: -53.820
Base-Backbone interact. energy: -0.041
local terms energy: -49.533354
where:
bonds (distance) C4'-P energy: -12.491
bonds (distance) P-C4' energy: -3.240
flat angles C4'-P-C4' energy: -10.699
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -12.807
Dist. restrs. and SS energy: 7.975 (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: 233
Temperature: 1.350000
Total energy: -183.233365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.233365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.204624 (E_RNA)
where:
Base-Base interactions energy: -136.713
where: short stacking energy: -55.514
Base-Backbone interact. energy: -0.371
local terms energy: -54.120067
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -9.691
flat angles C4'-P-C4' energy: -12.444
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -12.261
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: 1, replica: 6
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -238.049432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.049432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.071725 (E_RNA)
where:
Base-Base interactions energy: -167.429
where: short stacking energy: -67.310
Base-Backbone interact. energy: -0.054
local terms energy: -70.588423
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: -17.164
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: 10
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -220.490547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.490547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.588738 (E_RNA)
where:
Base-Base interactions energy: -162.898
where: short stacking energy: -65.330
Base-Backbone interact. energy: -0.861
local terms energy: -56.828928
where:
bonds (distance) C4'-P energy: -10.103
bonds (distance) P-C4' energy: -13.124
flat angles C4'-P-C4' energy: -8.053
flat angles P-C4'-P energy: -7.757
tors. eta vs tors. theta energy: -17.792
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: 3, replica: 8
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -211.784375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.784375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.824544 (E_RNA)
where:
Base-Base interactions energy: -145.778
where: short stacking energy: -60.414
Base-Backbone interact. energy: 0.917
local terms energy: -66.964083
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -13.446
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -12.642
tors. eta vs tors. theta energy: -14.307
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: 234
Temperature: 1.050000
Total energy: -215.712277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.712277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.851044 (E_RNA)
where:
Base-Base interactions energy: -149.932
where: short stacking energy: -64.772
Base-Backbone interact. energy: -0.655
local terms energy: -65.263167
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -5.380
tors. eta vs tors. theta energy: -17.527
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: 5, replica: 9
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -208.517564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.517564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.519424 (E_RNA)
where:
Base-Base interactions energy: -143.533
where: short stacking energy: -59.321
Base-Backbone interact. energy: -0.040
local terms energy: -64.945619
where:
bonds (distance) C4'-P energy: -10.166
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -7.069
tors. eta vs tors. theta energy: -19.823
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: 1
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -207.136761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.136761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.218341 (E_RNA)
where:
Base-Base interactions energy: -144.319
where: short stacking energy: -59.526
Base-Backbone interact. energy: -0.049
local terms energy: -62.850729
where:
bonds (distance) C4'-P energy: -10.857
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -15.482
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: 7
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -204.981717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.981717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.012880 (E_RNA)
where:
Base-Base interactions energy: -140.816
where: short stacking energy: -56.616
Base-Backbone interact. energy: 0.091
local terms energy: -64.287970
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -11.323
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -8.713
tors. eta vs tors. theta energy: -15.667
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: 3
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -203.148711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.148711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.175779 (E_RNA)
where:
Base-Base interactions energy: -140.594
where: short stacking energy: -57.452
Base-Backbone interact. energy: -0.009
local terms energy: -62.572404
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -12.560
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -14.859
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: 234
Temperature: 1.300000
Total energy: -181.270021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.270021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.926289 (E_RNA)
where:
Base-Base interactions energy: -130.950
where: short stacking energy: -55.550
Base-Backbone interact. energy: -0.005
local terms energy: -56.970706
where:
bonds (distance) C4'-P energy: -9.313
bonds (distance) P-C4' energy: -9.573
flat angles C4'-P-C4' energy: -11.070
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -18.392
Dist. restrs. and SS energy: 6.656 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -166.024455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.024455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.472993 (E_RNA)
where:
Base-Base interactions energy: -119.079
where: short stacking energy: -44.281
Base-Backbone interact. energy: -0.152
local terms energy: -55.242282
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -11.365
flat angles C4'-P-C4' energy: -12.064
flat angles P-C4'-P energy: -5.357
tors. eta vs tors. theta energy: -15.690
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: 1, replica: 6
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -225.773390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.773390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.787987 (E_RNA)
where:
Base-Base interactions energy: -168.623
where: short stacking energy: -64.768
Base-Backbone interact. energy: -0.472
local terms energy: -56.692053
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -2.420
tors. eta vs tors. theta energy: -13.943
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: 235
Temperature: 0.950000
Total energy: -218.926835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.926835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.936057 (E_RNA)
where:
Base-Base interactions energy: -154.397
where: short stacking energy: -63.895
Base-Backbone interact. energy: -0.559
local terms energy: -63.979822
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -12.049
flat angles C4'-P-C4' energy: -9.484
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -18.915
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: 10
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -219.827536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.827536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.827536 (E_RNA)
where:
Base-Base interactions energy: -160.691
where: short stacking energy: -64.052
Base-Backbone interact. energy: -0.009
local terms energy: -59.127355
where:
bonds (distance) C4'-P energy: -13.911
bonds (distance) P-C4' energy: -10.959
flat angles C4'-P-C4' energy: -11.070
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -15.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -216.813028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.813028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.844929 (E_RNA)
where:
Base-Base interactions energy: -151.887
where: short stacking energy: -65.873
Base-Backbone interact. energy: -0.001
local terms energy: -64.956664
where:
bonds (distance) C4'-P energy: -9.938
bonds (distance) P-C4' energy: -13.109
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -17.411
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: 2
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -207.989243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.989243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.022406 (E_RNA)
where:
Base-Base interactions energy: -141.734
where: short stacking energy: -57.969
Base-Backbone interact. energy: -0.239
local terms energy: -66.050085
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -14.405
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: 235
Temperature: 1.150000
Total energy: -200.139961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.139961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.208402 (E_RNA)
where:
Base-Base interactions energy: -141.235
where: short stacking energy: -58.759
Base-Backbone interact. energy: -0.025
local terms energy: -58.948325
where:
bonds (distance) C4'-P energy: -10.910
bonds (distance) P-C4' energy: -11.165
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -7.637
tors. eta vs tors. theta energy: -14.834
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: 1
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -201.093243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.093243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.267803 (E_RNA)
where:
Base-Base interactions energy: -142.062
where: short stacking energy: -54.016
Base-Backbone interact. energy: -0.133
local terms energy: -59.072505
where:
bonds (distance) C4'-P energy: -8.691
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -16.421
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: 3
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -193.942316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.942316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.963067 (E_RNA)
where:
Base-Base interactions energy: -138.405
where: short stacking energy: -54.932
Base-Backbone interact. energy: -0.007
local terms energy: -55.550764
where:
bonds (distance) C4'-P energy: -10.534
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -10.495
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -14.306
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: 5
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -174.697708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.697708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.860011 (E_RNA)
where:
Base-Base interactions energy: -129.499
where: short stacking energy: -50.208
Base-Backbone interact. energy: -2.243
local terms energy: -50.118033
where:
bonds (distance) C4'-P energy: -3.739
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -8.938
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -14.574
Dist. restrs. and SS energy: 7.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -177.857171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.857171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.323256 (E_RNA)
where:
Base-Base interactions energy: -125.897
where: short stacking energy: -56.059
Base-Backbone interact. energy: -0.918
local terms energy: -59.508519
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -5.973
tors. eta vs tors. theta energy: -13.327
Dist. restrs. and SS energy: 8.466 (S_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: 236
Temperature: 0.900000
Total energy: -228.550311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.550311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.585085 (E_RNA)
where:
Base-Base interactions energy: -166.001
where: short stacking energy: -63.066
Base-Backbone interact. energy: -0.005
local terms energy: -62.579150
where:
bonds (distance) C4'-P energy: -11.311
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -6.524
tors. eta vs tors. theta energy: -17.434
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: 8
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -220.886328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.886328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.886328 (E_RNA)
where:
Base-Base interactions energy: -154.807
where: short stacking energy: -61.923
Base-Backbone interact. energy: -0.000
local terms energy: -66.078547
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -9.320
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -19.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -228.943323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.943323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.970716 (E_RNA)
where:
Base-Base interactions energy: -167.637
where: short stacking energy: -66.683
Base-Backbone interact. energy: -0.001
local terms energy: -61.332457
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -2.352
tors. eta vs tors. theta energy: -17.540
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: 236
Temperature: 1.050000
Total energy: -215.871139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.871139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.871139 (E_RNA)
where:
Base-Base interactions energy: -159.779
where: short stacking energy: -61.552
Base-Backbone interact. energy: -0.002
local terms energy: -56.090071
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -11.177
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -6.608
tors. eta vs tors. theta energy: -13.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -205.973828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.973828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.021152 (E_RNA)
where:
Base-Base interactions energy: -139.709
where: short stacking energy: -55.680
Base-Backbone interact. energy: -0.465
local terms energy: -65.846372
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -11.015
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -14.935
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: 2
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -204.124906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.124906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.225333 (E_RNA)
where:
Base-Base interactions energy: -142.556
where: short stacking energy: -54.688
Base-Backbone interact. energy: -0.009
local terms energy: -61.659776
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -9.897
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -13.494
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: 236
Temperature: 1.200000
Total energy: -205.855159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.855159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.923057 (E_RNA)
where:
Base-Base interactions energy: -143.767
where: short stacking energy: -54.519
Base-Backbone interact. energy: -0.000
local terms energy: -62.155567
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -12.301
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -12.517
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: 1
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -199.312202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.312202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.518351 (E_RNA)
where:
Base-Base interactions energy: -146.795
where: short stacking energy: -56.037
Base-Backbone interact. energy: -0.006
local terms energy: -52.717202
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -8.529
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -4.990
tors. eta vs tors. theta energy: -13.844
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: 236
Temperature: 1.300000
Total energy: -187.326812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.326812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.475251 (E_RNA)
where:
Base-Base interactions energy: -139.604
where: short stacking energy: -53.978
Base-Backbone interact. energy: -0.002
local terms energy: -55.869236
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -9.806
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: -12.761
Dist. restrs. and SS energy: 8.148 (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: 5
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -176.080280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.080280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.253593 (E_RNA)
where:
Base-Base interactions energy: -125.208
where: short stacking energy: -52.970
Base-Backbone interact. energy: -0.475
local terms energy: -58.570936
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -12.738
flat angles C4'-P-C4' energy: -9.140
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -15.547
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: 6
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -239.982004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.982004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.982974 (E_RNA)
where:
Base-Base interactions energy: -177.392
where: short stacking energy: -72.132
Base-Backbone interact. energy: -0.043
local terms energy: -62.547599
where:
bonds (distance) C4'-P energy: -11.738
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -5.555
tors. eta vs tors. theta energy: -17.136
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: 237
Temperature: 0.950000
Total energy: -215.544315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.544315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.546958 (E_RNA)
where:
Base-Base interactions energy: -148.494
where: short stacking energy: -60.546
Base-Backbone interact. energy: -0.253
local terms energy: -66.799692
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -15.738
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: 237
Temperature: 1.000000
Total energy: -212.470808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.470808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.592025 (E_RNA)
where:
Base-Base interactions energy: -149.117
where: short stacking energy: -57.548
Base-Backbone interact. energy: -0.087
local terms energy: -63.388590
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -14.171
flat angles C4'-P-C4' energy: -9.701
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -17.195
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: 7
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -212.622814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.622814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.766088 (E_RNA)
where:
Base-Base interactions energy: -152.583
where: short stacking energy: -69.442
Base-Backbone interact. energy: -0.001
local terms energy: -60.181945
where:
bonds (distance) C4'-P energy: -10.442
bonds (distance) P-C4' energy: -11.621
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -6.840
tors. eta vs tors. theta energy: -18.068
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: 10
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -208.029121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.029121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.043218 (E_RNA)
where:
Base-Base interactions energy: -142.193
where: short stacking energy: -58.719
Base-Backbone interact. energy: -0.049
local terms energy: -65.801234
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -13.942
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -15.944
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: 3
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -204.784288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.784288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.799515 (E_RNA)
where:
Base-Base interactions energy: -138.345
where: short stacking energy: -54.509
Base-Backbone interact. energy: -0.238
local terms energy: -66.216793
where:
bonds (distance) C4'-P energy: -10.294
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -11.556
tors. eta vs tors. theta energy: -17.563
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: 2
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -212.419512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.419512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.561984 (E_RNA)
where:
Base-Base interactions energy: -149.329
where: short stacking energy: -60.782
Base-Backbone interact. energy: -0.323
local terms energy: -62.909487
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -11.079
flat angles C4'-P-C4' energy: -11.061
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -17.548
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: 1
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -206.234411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.234411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.332931 (E_RNA)
where:
Base-Base interactions energy: -144.908
where: short stacking energy: -58.760
Base-Backbone interact. energy: -0.003
local terms energy: -61.422480
where:
bonds (distance) C4'-P energy: -10.003
bonds (distance) P-C4' energy: -12.591
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -14.063
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: 237
Temperature: 1.300000
Total energy: -173.570193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.570193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.753592 (E_RNA)
where:
Base-Base interactions energy: -127.164
where: short stacking energy: -55.379
Base-Backbone interact. energy: -0.142
local terms energy: -55.447346
where:
bonds (distance) C4'-P energy: -8.348
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -10.658
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -14.883
Dist. restrs. and SS energy: 9.183 (S_DIST_RNA)
chem. 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: -169.617932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.617932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.801552 (E_RNA)
where:
Base-Base interactions energy: -124.101
where: short stacking energy: -56.063
Base-Backbone interact. energy: -0.013
local terms energy: -52.687937
where:
bonds (distance) C4'-P energy: -8.642
bonds (distance) P-C4' energy: -11.534
flat angles C4'-P-C4' energy: -12.047
flat angles P-C4'-P energy: -7.167
tors. eta vs tors. theta energy: -13.297
Dist. restrs. and SS energy: 7.184 (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: 6
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -234.719971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.719971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.748033 (E_RNA)
where:
Base-Base interactions energy: -170.599
where: short stacking energy: -68.481
Base-Backbone interact. energy: -0.472
local terms energy: -63.677112
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -13.373
flat angles P-C4'-P energy: -4.710
tors. eta vs tors. theta energy: -16.451
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: 238
Temperature: 0.950000
Total energy: -220.337455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.337455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.473133 (E_RNA)
where:
Base-Base interactions energy: -158.167
where: short stacking energy: -65.452
Base-Backbone interact. energy: -0.000
local terms energy: -62.305792
where:
bonds (distance) C4'-P energy: -10.889
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -11.236
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -14.201
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: 3, replica: 7
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -207.824408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.824408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.865285 (E_RNA)
where:
Base-Base interactions energy: -144.250
where: short stacking energy: -58.831
Base-Backbone interact. energy: -0.004
local terms energy: -63.611972
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -13.360
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: 9
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -206.544329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.544329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.550749 (E_RNA)
where:
Base-Base interactions energy: -145.869
where: short stacking energy: -57.062
Base-Backbone interact. energy: -0.003
local terms energy: -60.679076
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -12.548
flat angles P-C4'-P energy: -7.406
tors. eta vs tors. theta energy: -14.960
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: 10
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -210.527333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.527333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.550959 (E_RNA)
where:
Base-Base interactions energy: -151.113
where: short stacking energy: -57.599
Base-Backbone interact. energy: -0.171
local terms energy: -59.266783
where:
bonds (distance) C4'-P energy: -7.391
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -11.839
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -14.173
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: 3
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -201.630383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.630383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.656006 (E_RNA)
where:
Base-Base interactions energy: -138.830
where: short stacking energy: -56.304
Base-Backbone interact. energy: -0.400
local terms energy: -62.426159
where:
bonds (distance) C4'-P energy: -11.410
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: -12.762
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: 238
Temperature: 1.200000
Total energy: -199.507588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.507588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.718732 (E_RNA)
where:
Base-Base interactions energy: -134.432
where: short stacking energy: -51.687
Base-Backbone interact. energy: -0.122
local terms energy: -65.165299
where:
bonds (distance) C4'-P energy: -11.047
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: -15.809
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: 8, replica: 1
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -194.560620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.560620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.737555 (E_RNA)
where:
Base-Base interactions energy: -132.674
where: short stacking energy: -55.094
Base-Backbone interact. energy: -0.920
local terms energy: -61.143545
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -10.056
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -15.068
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: 9, replica: 5
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -176.679664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.679664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.138604 (E_RNA)
where:
Base-Base interactions energy: -124.515
where: short stacking energy: -54.946
Base-Backbone interact. energy: -0.123
local terms energy: -60.500340
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -9.536
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -15.268
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: 10, replica: 4
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -172.628891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.628891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.948197 (E_RNA)
where:
Base-Base interactions energy: -116.653
where: short stacking energy: -50.943
Base-Backbone interact. energy: -0.068
local terms energy: -63.227406
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -11.641
flat angles P-C4'-P energy: -5.895
tors. eta vs tors. theta energy: -18.811
Dist. restrs. and SS energy: 7.319 (S_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: 239
Temperature: 0.900000
Total energy: -226.199014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.199014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.263107 (E_RNA)
where:
Base-Base interactions energy: -163.766
where: short stacking energy: -67.465
Base-Backbone interact. energy: -0.043
local terms energy: -62.454329
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -13.323
flat angles P-C4'-P energy: -5.693
tors. eta vs tors. theta energy: -18.748
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: 7
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -231.032953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.032953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.155371 (E_RNA)
where:
Base-Base interactions energy: -170.958
where: short stacking energy: -65.178
Base-Backbone interact. energy: -0.330
local terms energy: -59.867809
where:
bonds (distance) C4'-P energy: -12.038
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -12.381
flat angles P-C4'-P energy: -5.911
tors. eta vs tors. theta energy: -16.549
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: 3, replica: 8
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -212.263782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.263782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.272768 (E_RNA)
where:
Base-Base interactions energy: -147.384
where: short stacking energy: -60.178
Base-Backbone interact. energy: -0.122
local terms energy: -64.766761
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -11.622
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: -15.571
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: 239
Temperature: 1.050000
Total energy: -216.706977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.706977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.706977 (E_RNA)
where:
Base-Base interactions energy: -150.364
where: short stacking energy: -65.636
Base-Backbone interact. energy: -0.014
local terms energy: -66.328783
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -12.583
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -7.995
tors. eta vs tors. theta energy: -19.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -211.226855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.226855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.408550 (E_RNA)
where:
Base-Base interactions energy: -145.359
where: short stacking energy: -61.809
Base-Backbone interact. energy: -0.294
local terms energy: -65.755842
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -13.854
flat angles C4'-P-C4' energy: -11.913
flat angles P-C4'-P energy: -12.445
tors. eta vs tors. theta energy: -17.747
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: 2
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -204.794782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.794782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.794782 (E_RNA)
where:
Base-Base interactions energy: -145.752
where: short stacking energy: -58.508
Base-Backbone interact. energy: -0.041
local terms energy: -59.002317
where:
bonds (distance) C4'-P energy: -11.351
bonds (distance) P-C4' energy: -11.219
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: -14.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -204.506488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.506488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.986539 (E_RNA)
where:
Base-Base interactions energy: -145.456
where: short stacking energy: -58.046
Base-Backbone interact. energy: -0.001
local terms energy: -59.530010
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -9.881
flat angles C4'-P-C4' energy: -11.833
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -15.178
Dist. restrs. and SS energy: 0.480 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -195.007435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.007435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.041341 (E_RNA)
where:
Base-Base interactions energy: -137.561
where: short stacking energy: -49.550
Base-Backbone interact. energy: -1.707
local terms energy: -55.774027
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -6.527
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -12.597
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: 5
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -180.274817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.274817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.028807 (E_RNA)
where:
Base-Base interactions energy: -141.891
where: short stacking energy: -60.135
Base-Backbone interact. energy: -0.242
local terms energy: -45.895937
where:
bonds (distance) C4'-P energy: -7.531
bonds (distance) P-C4' energy: -9.067
flat angles C4'-P-C4' energy: -5.663
flat angles P-C4'-P energy: -6.990
tors. eta vs tors. theta energy: -16.644
Dist. restrs. and SS energy: 7.754 (S_DIST_RNA)
chem. 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: -184.582865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.582865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.172970 (E_RNA)
where:
Base-Base interactions energy: -133.737
where: short stacking energy: -60.084
Base-Backbone interact. energy: -0.101
local terms energy: -58.335166
where:
bonds (distance) C4'-P energy: -12.520
bonds (distance) P-C4' energy: -9.709
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -5.906
tors. eta vs tors. theta energy: -15.887
Dist. restrs. and SS energy: 7.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -234.817285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.817285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.829436 (E_RNA)
where:
Base-Base interactions energy: -171.060
where: short stacking energy: -72.703
Base-Backbone interact. energy: -0.032
local terms energy: -63.737393
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -12.261
flat angles P-C4'-P energy: -5.115
tors. eta vs tors. theta energy: -19.807
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: 6
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -217.505907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.505907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.549709 (E_RNA)
where:
Base-Base interactions energy: -150.289
where: short stacking energy: -59.849
Base-Backbone interact. energy: 0.068
local terms energy: -67.329411
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -12.026
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -16.496
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: 10
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -219.680462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.680462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.680462 (E_RNA)
where:
Base-Base interactions energy: -159.423
where: short stacking energy: -63.795
Base-Backbone interact. energy: -0.005
local terms energy: -60.252473
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -13.052
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -3.294
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: 4, replica: 8
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -210.084316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.084316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.220365 (E_RNA)
where:
Base-Base interactions energy: -149.001
where: short stacking energy: -60.097
Base-Backbone interact. energy: -0.097
local terms energy: -61.123077
where:
bonds (distance) C4'-P energy: -9.496
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -9.840
tors. eta vs tors. theta energy: -13.942
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: 9
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -209.651745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.651745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.675153 (E_RNA)
where:
Base-Base interactions energy: -146.433
where: short stacking energy: -63.231
Base-Backbone interact. energy: -0.003
local terms energy: -63.239242
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -12.962
flat angles C4'-P-C4' energy: -9.191
flat angles P-C4'-P energy: -9.238
tors. eta vs tors. theta energy: -16.801
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: 2
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -204.387485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.387485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.702572 (E_RNA)
where:
Base-Base interactions energy: -146.013
where: short stacking energy: -59.589
Base-Backbone interact. energy: -0.280
local terms energy: -58.410151
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -10.409
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -13.837
Dist. restrs. and SS energy: 0.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -201.096925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.096925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.096925 (E_RNA)
where:
Base-Base interactions energy: -142.158
where: short stacking energy: -55.697
Base-Backbone interact. energy: -0.049
local terms energy: -58.889269
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -10.113
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -6.602
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: 8, replica: 3
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -200.314117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.314117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.370474 (E_RNA)
where:
Base-Base interactions energy: -141.345
where: short stacking energy: -50.610
Base-Backbone interact. energy: -0.048
local terms energy: -58.977540
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -11.731
flat angles C4'-P-C4' energy: -13.352
flat angles P-C4'-P energy: -7.867
tors. eta vs tors. theta energy: -11.984
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: 4
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -183.252881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.252881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.580618 (E_RNA)
where:
Base-Base interactions energy: -128.541
where: short stacking energy: -50.234
Base-Backbone interact. energy: -0.634
local terms energy: -61.405326
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -9.613
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -13.876
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: 240
Temperature: 1.350000
Total energy: -179.375121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.375121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.378513 (E_RNA)
where:
Base-Base interactions energy: -132.540
where: short stacking energy: -53.795
Base-Backbone interact. energy: -0.045
local terms energy: -54.794149
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -7.648
tors. eta vs tors. theta energy: -8.209
Dist. restrs. and SS energy: 8.003 (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: 7
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -236.385327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.385327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.459653 (E_RNA)
where:
Base-Base interactions energy: -172.470
where: short stacking energy: -72.197
Base-Backbone interact. energy: -0.199
local terms energy: -63.790759
where:
bonds (distance) C4'-P energy: -12.224
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -5.545
tors. eta vs tors. theta energy: -18.561
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: 10
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -229.451439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.451439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.470633 (E_RNA)
where:
Base-Base interactions energy: -169.602
where: short stacking energy: -69.393
Base-Backbone interact. energy: -0.003
local terms energy: -59.865909
where:
bonds (distance) C4'-P energy: -8.871
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -6.189
tors. eta vs tors. theta energy: -16.288
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: 6
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -221.143254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.143254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.268230 (E_RNA)
where:
Base-Base interactions energy: -152.395
where: short stacking energy: -65.767
Base-Backbone interact. energy: -0.001
local terms energy: -68.872415
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -12.871
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -12.309
tors. eta vs tors. theta energy: -17.120
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: 8
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -208.460044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.460044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.584586 (E_RNA)
where:
Base-Base interactions energy: -148.520
where: short stacking energy: -59.870
Base-Backbone interact. energy: -0.167
local terms energy: -59.897214
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -7.117
flat angles C4'-P-C4' energy: -15.482
flat angles P-C4'-P energy: -5.933
tors. eta vs tors. theta energy: -19.522
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: 241
Temperature: 1.100000
Total energy: -219.238335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.238335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.241007 (E_RNA)
where:
Base-Base interactions energy: -168.802
where: short stacking energy: -62.266
Base-Backbone interact. energy: -0.043
local terms energy: -50.396328
where:
bonds (distance) C4'-P energy: -6.934
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -11.015
flat angles P-C4'-P energy: -3.972
tors. eta vs tors. theta energy: -13.164
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: 241
Temperature: 1.150000
Total energy: -205.197962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.197962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.312787 (E_RNA)
where:
Base-Base interactions energy: -140.159
where: short stacking energy: -56.027
Base-Backbone interact. energy: -0.004
local terms energy: -65.149615
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -14.589
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: 1
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -203.594793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.594793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.634977 (E_RNA)
where:
Base-Base interactions energy: -139.653
where: short stacking energy: -60.367
Base-Backbone interact. energy: 0.761
local terms energy: -64.743193
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -15.175
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -8.263
tors. eta vs tors. theta energy: -14.815
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: 241
Temperature: 1.250000
Total energy: -176.946154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.946154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.317633 (E_RNA)
where:
Base-Base interactions energy: -131.669
where: short stacking energy: -55.624
Base-Backbone interact. energy: -0.314
local terms energy: -53.334668
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -8.580
flat angles C4'-P-C4' energy: -11.649
flat angles P-C4'-P energy: -5.783
tors. eta vs tors. theta energy: -14.553
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: 9, replica: 3
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -188.111100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.111100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.179843 (E_RNA)
where:
Base-Base interactions energy: -128.983
where: short stacking energy: -46.209
Base-Backbone interact. energy: -0.005
local terms energy: -59.191520
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -11.470
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: 10, replica: 5
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -172.347217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.347217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.372034 (E_RNA)
where:
Base-Base interactions energy: -124.063
where: short stacking energy: -50.620
Base-Backbone interact. energy: -0.001
local terms energy: -58.308057
where:
bonds (distance) C4'-P energy: -10.330
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -6.937
tors. eta vs tors. theta energy: -11.496
Dist. restrs. and SS energy: 10.025 (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: 242
Temperature: 0.900000
Total energy: -228.461286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.461286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.575925 (E_RNA)
where:
Base-Base interactions energy: -167.222
where: short stacking energy: -67.946
Base-Backbone interact. energy: -0.177
local terms energy: -61.176550
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -10.110
flat angles P-C4'-P energy: -6.765
tors. eta vs tors. theta energy: -17.145
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: 242
Temperature: 0.950000
Total energy: -224.252302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.252302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.525408 (E_RNA)
where:
Base-Base interactions energy: -159.305
where: short stacking energy: -63.012
Base-Backbone interact. energy: -0.032
local terms energy: -65.188425
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -6.521
tors. eta vs tors. theta energy: -15.641
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: 3, replica: 6
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -214.581049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.581049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.675293 (E_RNA)
where:
Base-Base interactions energy: -150.883
where: short stacking energy: -60.483
Base-Backbone interact. energy: -0.041
local terms energy: -63.750690
where:
bonds (distance) C4'-P energy: -8.150
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -16.235
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: 4, replica: 8
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -215.820884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.820884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.820884 (E_RNA)
where:
Base-Base interactions energy: -160.004
where: short stacking energy: -63.106
Base-Backbone interact. energy: -0.114
local terms energy: -55.703734
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -11.098
flat angles C4'-P-C4' energy: -7.690
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: -16.667
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -200.902391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.902391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.904400 (E_RNA)
where:
Base-Base interactions energy: -144.639
where: short stacking energy: -56.267
Base-Backbone interact. energy: -0.012
local terms energy: -56.253764
where:
bonds (distance) C4'-P energy: -9.465
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -11.093
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -13.331
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: 9
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -214.280579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.280579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.307531 (E_RNA)
where:
Base-Base interactions energy: -161.453
where: short stacking energy: -60.005
Base-Backbone interact. energy: -0.106
local terms energy: -52.747778
where:
bonds (distance) C4'-P energy: -7.285
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -4.067
tors. eta vs tors. theta energy: -14.388
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: 1
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -201.377872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.377872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.488337 (E_RNA)
where:
Base-Base interactions energy: -144.442
where: short stacking energy: -56.810
Base-Backbone interact. energy: -0.714
local terms energy: -56.331581
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -9.966
flat angles P-C4'-P energy: -7.335
tors. eta vs tors. theta energy: -14.242
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: 4
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -186.028308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.028308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.561228 (E_RNA)
where:
Base-Base interactions energy: -133.368
where: short stacking energy: -59.283
Base-Backbone interact. energy: -0.005
local terms energy: -60.188609
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -9.182
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -15.115
Dist. restrs. and SS energy: 7.533 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -176.503873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.503873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.574953 (E_RNA)
where:
Base-Base interactions energy: -122.911
where: short stacking energy: -52.451
Base-Backbone interact. energy: 0.154
local terms energy: -61.818066
where:
bonds (distance) C4'-P energy: -12.395
bonds (distance) P-C4' energy: -12.173
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: -13.988
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: 10, replica: 3
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -189.216801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.216801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.393396 (E_RNA)
where:
Base-Base interactions energy: -128.756
where: short stacking energy: -52.412
Base-Backbone interact. energy: -0.104
local terms energy: -60.532645
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -4.769
tors. eta vs tors. theta energy: -16.682
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: 10
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -228.806454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.806454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.080224 (E_RNA)
where:
Base-Base interactions energy: -167.277
where: short stacking energy: -68.250
Base-Backbone interact. energy: -0.012
local terms energy: -61.790566
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -12.384
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -2.920
tors. eta vs tors. theta energy: -18.732
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: 2, replica: 6
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -218.861805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.861805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.926905 (E_RNA)
where:
Base-Base interactions energy: -150.363
where: short stacking energy: -64.338
Base-Backbone interact. energy: -0.009
local terms energy: -68.555587
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -12.550
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -12.142
tors. eta vs tors. theta energy: -14.602
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: 7
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -218.188491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.188491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.188491 (E_RNA)
where:
Base-Base interactions energy: -158.907
where: short stacking energy: -63.180
Base-Backbone interact. energy: 0.663
local terms energy: -59.944979
where:
bonds (distance) C4'-P energy: -8.590
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -12.079
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: -16.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -213.860281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.860281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.871853 (E_RNA)
where:
Base-Base interactions energy: -153.693
where: short stacking energy: -61.702
Base-Backbone interact. energy: -0.001
local terms energy: -60.178303
where:
bonds (distance) C4'-P energy: -10.053
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -12.527
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: 243
Temperature: 1.100000
Total energy: -225.558481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.558481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.631243 (E_RNA)
where:
Base-Base interactions energy: -168.167
where: short stacking energy: -66.307
Base-Backbone interact. energy: -0.007
local terms energy: -57.457042
where:
bonds (distance) C4'-P energy: -8.029
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -4.637
tors. eta vs tors. theta energy: -15.561
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: 1
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -221.900654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.900654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.920987 (E_RNA)
where:
Base-Base interactions energy: -158.629
where: short stacking energy: -60.401
Base-Backbone interact. energy: -0.018
local terms energy: -63.273952
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -12.674
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -5.502
tors. eta vs tors. theta energy: -14.770
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: 243
Temperature: 1.200000
Total energy: -216.585664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.585664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.859863 (E_RNA)
where:
Base-Base interactions energy: -157.570
where: short stacking energy: -58.848
Base-Backbone interact. energy: -0.063
local terms energy: -59.226474
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -2.846
tors. eta vs tors. theta energy: -14.943
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: 8, replica: 5
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -182.581936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.581936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.009955 (E_RNA)
where:
Base-Base interactions energy: -130.349
where: short stacking energy: -54.145
Base-Backbone interact. energy: -0.004
local terms energy: -58.656651
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -11.359
Dist. restrs. and SS energy: 6.428 (S_DIST_RNA)
chem. 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: -180.115236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.115236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.932697 (E_RNA)
where:
Base-Base interactions energy: -135.290
where: short stacking energy: -58.440
Base-Backbone interact. energy: -0.075
local terms energy: -51.567891
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -9.088
flat angles P-C4'-P energy: -4.140
tors. eta vs tors. theta energy: -12.898
Dist. restrs. and SS energy: 6.817 (S_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: 243
Temperature: 1.350000
Total energy: -193.723140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.723140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.737223 (E_RNA)
where:
Base-Base interactions energy: -138.997
where: short stacking energy: -48.404
Base-Backbone interact. energy: 1.655
local terms energy: -56.395342
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -6.366
tors. eta vs tors. theta energy: -11.492
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: 6
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -220.042386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.042386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.147018 (E_RNA)
where:
Base-Base interactions energy: -151.933
where: short stacking energy: -64.199
Base-Backbone interact. energy: -0.021
local terms energy: -68.193300
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -18.441
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: 2, replica: 10
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -218.654098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.654098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.694756 (E_RNA)
where:
Base-Base interactions energy: -148.475
where: short stacking energy: -61.514
Base-Backbone interact. energy: -0.347
local terms energy: -69.872761
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -10.318
flat angles P-C4'-P energy: -12.485
tors. eta vs tors. theta energy: -18.796
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: 244
Temperature: 1.000000
Total energy: -214.374529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.374529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.446124 (E_RNA)
where:
Base-Base interactions energy: -146.919
where: short stacking energy: -62.455
Base-Backbone interact. energy: -0.133
local terms energy: -67.394964
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -11.282
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: -18.156
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: 7
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -209.516250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.516250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.596318 (E_RNA)
where:
Base-Base interactions energy: -144.254
where: short stacking energy: -56.288
Base-Backbone interact. energy: -0.117
local terms energy: -65.224806
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -10.972
flat angles C4'-P-C4' energy: -16.630
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -13.415
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: 8
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -226.995557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.995557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.206485 (E_RNA)
where:
Base-Base interactions energy: -165.790
where: short stacking energy: -66.408
Base-Backbone interact. energy: -0.008
local terms energy: -61.408372
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -11.436
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -4.947
tors. eta vs tors. theta energy: -16.001
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: 6, replica: 1
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -212.979413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.979413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.024406 (E_RNA)
where:
Base-Base interactions energy: -158.646
where: short stacking energy: -62.931
Base-Backbone interact. energy: -0.380
local terms energy: -53.998368
where:
bonds (distance) C4'-P energy: -9.032
bonds (distance) P-C4' energy: -12.510
flat angles C4'-P-C4' energy: -10.280
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -12.681
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: 5
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -183.183887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.183887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.583898 (E_RNA)
where:
Base-Base interactions energy: -130.191
where: short stacking energy: -54.662
Base-Backbone interact. energy: -0.014
local terms energy: -59.379434
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -12.120
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -11.424
Dist. restrs. and SS energy: 6.400 (S_DIST_RNA)
chem. 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: -197.516914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.516914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.575793 (E_RNA)
where:
Base-Base interactions energy: -140.599
where: short stacking energy: -54.079
Base-Backbone interact. energy: -0.005
local terms energy: -56.970940
where:
bonds (distance) C4'-P energy: -10.398
bonds (distance) P-C4' energy: -10.264
flat angles C4'-P-C4' energy: -11.985
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -14.995
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: 3
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -198.401816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.401816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.459129 (E_RNA)
where:
Base-Base interactions energy: -138.997
where: short stacking energy: -52.265
Base-Backbone interact. energy: -0.000
local terms energy: -59.461861
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -8.745
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: -15.220
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: 10, replica: 4
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -168.756982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.756982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.380024 (E_RNA)
where:
Base-Base interactions energy: -128.637
where: short stacking energy: -47.967
Base-Backbone interact. energy: -0.109
local terms energy: -47.634582
where:
bonds (distance) C4'-P energy: -9.616
bonds (distance) P-C4' energy: -11.085
flat angles C4'-P-C4' energy: -9.065
flat angles P-C4'-P energy: -6.997
tors. eta vs tors. theta energy: -10.872
Dist. restrs. and SS energy: 7.623 (S_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: 245
Temperature: 0.900000
Total energy: -219.803682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.803682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.820990 (E_RNA)
where:
Base-Base interactions energy: -152.428
where: short stacking energy: -62.771
Base-Backbone interact. energy: -0.126
local terms energy: -67.267220
where:
bonds (distance) C4'-P energy: -9.479
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -17.886
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: 245
Temperature: 0.950000
Total energy: -225.984287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.984287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.010250 (E_RNA)
where:
Base-Base interactions energy: -171.217
where: short stacking energy: -66.344
Base-Backbone interact. energy: -0.776
local terms energy: -54.017167
where:
bonds (distance) C4'-P energy: -8.434
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -4.049
tors. eta vs tors. theta energy: -14.109
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: 2
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -212.363035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.363035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.399811 (E_RNA)
where:
Base-Base interactions energy: -149.067
where: short stacking energy: -66.832
Base-Backbone interact. energy: -0.000
local terms energy: -63.332732
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -11.686
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -8.781
tors. eta vs tors. theta energy: -16.521
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: 245
Temperature: 1.050000
Total energy: -232.332212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.332212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.458448 (E_RNA)
where:
Base-Base interactions energy: -167.925
where: short stacking energy: -69.229
Base-Backbone interact. energy: -0.749
local terms energy: -63.784209
where:
bonds (distance) C4'-P energy: -12.224
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -7.094
tors. eta vs tors. theta energy: -17.120
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: 5, replica: 7
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -206.602236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.602236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.645608 (E_RNA)
where:
Base-Base interactions energy: -147.603
where: short stacking energy: -59.633
Base-Backbone interact. energy: -0.004
local terms energy: -59.037978
where:
bonds (distance) C4'-P energy: -13.169
bonds (distance) P-C4' energy: -12.812
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -3.152
tors. eta vs tors. theta energy: -16.893
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: 1
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -219.817897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.817897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.893698 (E_RNA)
where:
Base-Base interactions energy: -166.974
where: short stacking energy: -67.484
Base-Backbone interact. energy: -0.081
local terms energy: -52.838242
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -10.051
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -2.821
tors. eta vs tors. theta energy: -14.524
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: 5
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -189.909229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.909229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.357849 (E_RNA)
where:
Base-Base interactions energy: -139.880
where: short stacking energy: -61.109
Base-Backbone interact. energy: -0.004
local terms energy: -57.473938
where:
bonds (distance) C4'-P energy: -9.065
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -12.483
flat angles P-C4'-P energy: -5.972
tors. eta vs tors. theta energy: -17.115
Dist. restrs. and SS energy: 7.449 (S_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: 245
Temperature: 1.250000
Total energy: -204.482562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.482562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.710910 (E_RNA)
where:
Base-Base interactions energy: -145.079
where: short stacking energy: -61.088
Base-Backbone interact. energy: -0.216
local terms energy: -59.416301
where:
bonds (distance) C4'-P energy: -7.118
bonds (distance) P-C4' energy: -10.948
flat angles C4'-P-C4' energy: -13.326
flat angles P-C4'-P energy: -12.284
tors. eta vs tors. theta energy: -15.740
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: 9
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -191.704983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.704983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.714797 (E_RNA)
where:
Base-Base interactions energy: -135.503
where: short stacking energy: -55.322
Base-Backbone interact. energy: 0.195
local terms energy: -56.406904
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -11.418
flat angles C4'-P-C4' energy: -10.850
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -12.189
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: 245
Temperature: 1.350000
Total energy: -180.065413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.065413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.058944 (E_RNA)
where:
Base-Base interactions energy: -132.125
where: short stacking energy: -58.100
Base-Backbone interact. energy: -2.157
local terms energy: -54.776907
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -10.287
flat angles P-C4'-P energy: -6.358
tors. eta vs tors. theta energy: -14.540
Dist. restrs. and SS energy: 8.994 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -234.218013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.218013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.225457 (E_RNA)
where:
Base-Base interactions energy: -171.133
where: short stacking energy: -66.556
Base-Backbone interact. energy: -0.393
local terms energy: -62.700047
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -11.199
flat angles P-C4'-P energy: -4.386
tors. eta vs tors. theta energy: -17.942
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: 246
Temperature: 0.950000
Total energy: -217.423124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.423124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.586730 (E_RNA)
where:
Base-Base interactions energy: -151.811
where: short stacking energy: -64.730
Base-Backbone interact. energy: -0.157
local terms energy: -65.619358
where:
bonds (distance) C4'-P energy: -13.897
bonds (distance) P-C4' energy: -11.051
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -16.522
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: 3, replica: 8
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -226.813118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.813118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.822746 (E_RNA)
where:
Base-Base interactions energy: -164.336
where: short stacking energy: -65.121
Base-Backbone interact. energy: -0.741
local terms energy: -61.745776
where:
bonds (distance) C4'-P energy: -11.537
bonds (distance) P-C4' energy: -13.606
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -4.736
tors. eta vs tors. theta energy: -16.827
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: 2
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -216.164166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.164166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.197255 (E_RNA)
where:
Base-Base interactions energy: -150.321
where: short stacking energy: -64.111
Base-Backbone interact. energy: -0.051
local terms energy: -65.825403
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -12.886
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -16.663
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: 246
Temperature: 1.100000
Total energy: -222.547673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.547673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.547673 (E_RNA)
where:
Base-Base interactions energy: -156.682
where: short stacking energy: -58.753
Base-Backbone interact. energy: -0.013
local terms energy: -65.853443
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -14.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -207.739933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.739933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.761927 (E_RNA)
where:
Base-Base interactions energy: -145.758
where: short stacking energy: -57.041
Base-Backbone interact. energy: -0.001
local terms energy: -62.002594
where:
bonds (distance) C4'-P energy: -9.400
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -8.215
tors. eta vs tors. theta energy: -16.246
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: 7, replica: 3
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -203.125507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.125507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.164176 (E_RNA)
where:
Base-Base interactions energy: -147.909
where: short stacking energy: -60.457
Base-Backbone interact. energy: -0.083
local terms energy: -55.172431
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -11.959
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -8.461
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: 246
Temperature: 1.250000
Total energy: -182.271376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.271376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.300207 (E_RNA)
where:
Base-Base interactions energy: -131.707
where: short stacking energy: -55.072
Base-Backbone interact. energy: -0.374
local terms energy: -58.219111
where:
bonds (distance) C4'-P energy: -12.097
bonds (distance) P-C4' energy: -10.054
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -14.691
Dist. restrs. and SS energy: 8.029 (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: 9
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -194.684661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.684661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.687703 (E_RNA)
where:
Base-Base interactions energy: -136.813
where: short stacking energy: -56.298
Base-Backbone interact. energy: -0.048
local terms energy: -57.826994
where:
bonds (distance) C4'-P energy: -8.719
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -11.852
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -15.074
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: 246
Temperature: 1.350000
Total energy: -171.477764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.477764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.193855 (E_RNA)
where:
Base-Base interactions energy: -128.187
where: short stacking energy: -58.001
Base-Backbone interact. energy: -0.001
local terms energy: -51.006147
where:
bonds (distance) C4'-P energy: -9.267
bonds (distance) P-C4' energy: -8.800
flat angles C4'-P-C4' energy: -12.880
flat angles P-C4'-P energy: -5.553
tors. eta vs tors. theta energy: -14.505
Dist. restrs. and SS energy: 7.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -236.886011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.886011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.968347 (E_RNA)
where:
Base-Base interactions energy: -168.372
where: short stacking energy: -69.181
Base-Backbone interact. energy: -0.008
local terms energy: -68.589053
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -6.934
tors. eta vs tors. theta energy: -18.878
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: 2, replica: 8
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -225.017817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.017817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.063707 (E_RNA)
where:
Base-Base interactions energy: -161.865
where: short stacking energy: -65.068
Base-Backbone interact. energy: -0.158
local terms energy: -63.040954
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -3.786
tors. eta vs tors. theta energy: -18.843
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: 6
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -209.413491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.413491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.413491 (E_RNA)
where:
Base-Base interactions energy: -142.329
where: short stacking energy: -57.197
Base-Backbone interact. energy: -0.159
local terms energy: -66.925854
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -16.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -209.155908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.155908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.227520 (E_RNA)
where:
Base-Base interactions energy: -143.169
where: short stacking energy: -59.586
Base-Backbone interact. energy: -0.037
local terms energy: -66.021282
where:
bonds (distance) C4'-P energy: -10.575
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -16.810
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: 247
Temperature: 1.100000
Total energy: -205.641338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.641338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.641338 (E_RNA)
where:
Base-Base interactions energy: -146.360
where: short stacking energy: -57.937
Base-Backbone interact. energy: -0.122
local terms energy: -59.159059
where:
bonds (distance) C4'-P energy: -9.309
bonds (distance) P-C4' energy: -13.530
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -14.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -206.887308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.887308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.029946 (E_RNA)
where:
Base-Base interactions energy: -145.877
where: short stacking energy: -59.434
Base-Backbone interact. energy: -0.000
local terms energy: -61.152770
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -11.956
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -7.961
tors. eta vs tors. theta energy: -13.861
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: 7, replica: 1
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -204.749183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.749183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.791612 (E_RNA)
where:
Base-Base interactions energy: -142.645
where: short stacking energy: -58.936
Base-Backbone interact. energy: -0.083
local terms energy: -62.064015
where:
bonds (distance) C4'-P energy: -9.860
bonds (distance) P-C4' energy: -10.778
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: -16.132
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: 8, replica: 9
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -187.655445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.655445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.844307 (E_RNA)
where:
Base-Base interactions energy: -129.429
where: short stacking energy: -56.417
Base-Backbone interact. energy: -0.005
local terms energy: -58.410104
where:
bonds (distance) C4'-P energy: -10.415
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -11.488
flat angles P-C4'-P energy: -6.095
tors. eta vs tors. theta energy: -17.172
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: 9, replica: 5
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -177.453011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.453011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.630378 (E_RNA)
where:
Base-Base interactions energy: -127.401
where: short stacking energy: -53.609
Base-Backbone interact. energy: -0.067
local terms energy: -58.162939
where:
bonds (distance) C4'-P energy: -9.823
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -10.495
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -15.353
Dist. restrs. and SS energy: 8.177 (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: 247
Temperature: 1.350000
Total energy: -166.852538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.852538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.487003 (E_RNA)
where:
Base-Base interactions energy: -125.919
where: short stacking energy: -54.025
Base-Backbone interact. energy: 1.430
local terms energy: -51.998131
where:
bonds (distance) C4'-P energy: -8.481
bonds (distance) P-C4' energy: -12.361
flat angles C4'-P-C4' energy: -11.576
flat angles P-C4'-P energy: -7.975
tors. eta vs tors. theta energy: -11.605
Dist. restrs. and SS energy: 9.634 (S_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: 248
Temperature: 0.900000
Total energy: -229.381892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.381892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.406152 (E_RNA)
where:
Base-Base interactions energy: -167.884
where: short stacking energy: -69.284
Base-Backbone interact. energy: -0.048
local terms energy: -61.474232
where:
bonds (distance) C4'-P energy: -15.600
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -1.659
tors. eta vs tors. theta energy: -16.879
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: 10
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -224.937300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.937300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.968222 (E_RNA)
where:
Base-Base interactions energy: -166.937
where: short stacking energy: -66.410
Base-Backbone interact. energy: -0.006
local terms energy: -58.025918
where:
bonds (distance) C4'-P energy: -7.910
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -6.342
tors. eta vs tors. theta energy: -15.711
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: 6
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -222.340430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.340430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.388060 (E_RNA)
where:
Base-Base interactions energy: -164.050
where: short stacking energy: -67.427
Base-Backbone interact. energy: -0.007
local terms energy: -58.331603
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -10.256
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -12.824
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: 248
Temperature: 1.050000
Total energy: -209.060599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.060599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.084772 (E_RNA)
where:
Base-Base interactions energy: -147.605
where: short stacking energy: -63.468
Base-Backbone interact. energy: -0.003
local terms energy: -61.476752
where:
bonds (distance) C4'-P energy: -10.721
bonds (distance) P-C4' energy: -9.845
flat angles C4'-P-C4' energy: -10.828
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -18.027
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: 3
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -205.107115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.107115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.327378 (E_RNA)
where:
Base-Base interactions energy: -143.601
where: short stacking energy: -52.111
Base-Backbone interact. energy: -0.001
local terms energy: -61.725733
where:
bonds (distance) C4'-P energy: -9.218
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -14.778
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: 6, replica: 7
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -206.451911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.451911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.724808 (E_RNA)
where:
Base-Base interactions energy: -139.221
where: short stacking energy: -59.685
Base-Backbone interact. energy: -0.025
local terms energy: -67.479497
where:
bonds (distance) C4'-P energy: -11.808
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -18.075
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: 1
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -208.249702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.249702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.323805 (E_RNA)
where:
Base-Base interactions energy: -146.384
where: short stacking energy: -59.990
Base-Backbone interact. energy: -0.097
local terms energy: -61.842516
where:
bonds (distance) C4'-P energy: -11.961
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -8.004
tors. eta vs tors. theta energy: -15.452
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: 9
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -195.184181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.184181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.200742 (E_RNA)
where:
Base-Base interactions energy: -142.538
where: short stacking energy: -56.712
Base-Backbone interact. energy: -0.062
local terms energy: -52.600560
where:
bonds (distance) C4'-P energy: -8.572
bonds (distance) P-C4' energy: -10.652
flat angles C4'-P-C4' energy: -7.466
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -13.901
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: 9, replica: 4
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -176.949674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.949674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.225948 (E_RNA)
where:
Base-Base interactions energy: -125.923
where: short stacking energy: -58.132
Base-Backbone interact. energy: -0.843
local terms energy: -57.459990
where:
bonds (distance) C4'-P energy: -5.105
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -12.647
flat angles P-C4'-P energy: -8.695
tors. eta vs tors. theta energy: -16.602
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: 10, replica: 5
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -179.521939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.521939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.482180 (E_RNA)
where:
Base-Base interactions energy: -126.887
where: short stacking energy: -50.090
Base-Backbone interact. energy: -0.382
local terms energy: -59.213039
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -11.048
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -9.910
Dist. restrs. and SS energy: 6.960 (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: 8
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -234.795385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.795385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.808371 (E_RNA)
where:
Base-Base interactions energy: -172.851
where: short stacking energy: -70.347
Base-Backbone interact. energy: -0.007
local terms energy: -61.950461
where:
bonds (distance) C4'-P energy: -12.921
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -12.990
flat angles P-C4'-P energy: -3.437
tors. eta vs tors. theta energy: -17.777
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: 6
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -228.369792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.369792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.369792 (E_RNA)
where:
Base-Base interactions energy: -170.091
where: short stacking energy: -70.067
Base-Backbone interact. energy: -0.216
local terms energy: -58.062086
where:
bonds (distance) C4'-P energy: -10.592
bonds (distance) P-C4' energy: -10.840
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -14.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -219.966515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.966515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.009263 (E_RNA)
where:
Base-Base interactions energy: -160.132
where: short stacking energy: -60.137
Base-Backbone interact. energy: -0.022
local terms energy: -59.855872
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -13.090
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -14.488
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: 249
Temperature: 1.050000
Total energy: -203.519405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.519405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.607709 (E_RNA)
where:
Base-Base interactions energy: -143.538
where: short stacking energy: -55.586
Base-Backbone interact. energy: -0.559
local terms energy: -59.509740
where:
bonds (distance) C4'-P energy: -11.800
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -13.725
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -11.190
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: 249
Temperature: 1.100000
Total energy: -218.057729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.057729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.095668 (E_RNA)
where:
Base-Base interactions energy: -163.022
where: short stacking energy: -62.747
Base-Backbone interact. energy: -0.005
local terms energy: -55.068295
where:
bonds (distance) C4'-P energy: -8.597
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -12.407
flat angles P-C4'-P energy: -6.099
tors. eta vs tors. theta energy: -14.581
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: 1
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -200.568186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.568186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.631376 (E_RNA)
where:
Base-Base interactions energy: -139.933
where: short stacking energy: -57.248
Base-Backbone interact. energy: -0.051
local terms energy: -60.647306
where:
bonds (distance) C4'-P energy: -9.860
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -14.040
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -14.262
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: 249
Temperature: 1.200000
Total energy: -209.672777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.672777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.775257 (E_RNA)
where:
Base-Base interactions energy: -152.014
where: short stacking energy: -64.626
Base-Backbone interact. energy: -0.008
local terms energy: -57.753817
where:
bonds (distance) C4'-P energy: -10.765
bonds (distance) P-C4' energy: -11.495
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -2.643
tors. eta vs tors. theta energy: -19.780
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: 9
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -207.223234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.223234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.250299 (E_RNA)
where:
Base-Base interactions energy: -145.153
where: short stacking energy: -59.895
Base-Backbone interact. energy: -0.005
local terms energy: -62.091734
where:
bonds (distance) C4'-P energy: -9.690
bonds (distance) P-C4' energy: -12.768
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -17.959
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: 4
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -170.544598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.544598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.551343 (E_RNA)
where:
Base-Base interactions energy: -115.154
where: short stacking energy: -43.823
Base-Backbone interact. energy: -0.233
local terms energy: -63.164550
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -13.584
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: 10, replica: 5
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -170.931296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.931296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.467957 (E_RNA)
where:
Base-Base interactions energy: -129.232
where: short stacking energy: -53.016
Base-Backbone interact. energy: -0.018
local terms energy: -50.218834
where:
bonds (distance) C4'-P energy: -6.369
bonds (distance) P-C4' energy: -12.048
flat angles C4'-P-C4' energy: -11.444
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -12.301
Dist. restrs. and SS energy: 8.537 (S_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: 250
Temperature: 0.900000
Total energy: -232.721494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.721494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.730208 (E_RNA)
where:
Base-Base interactions energy: -165.388
where: short stacking energy: -62.238
Base-Backbone interact. energy: -0.031
local terms energy: -67.311304
where:
bonds (distance) C4'-P energy: -10.365
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -6.715
tors. eta vs tors. theta energy: -19.044
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: 250
Temperature: 0.950000
Total energy: -223.720607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.720607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.738836 (E_RNA)
where:
Base-Base interactions energy: -162.079
where: short stacking energy: -64.775
Base-Backbone interact. energy: -0.002
local terms energy: -61.658709
where:
bonds (distance) C4'-P energy: -9.112
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: -16.124
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: 3
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -208.669267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.669267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.722150 (E_RNA)
where:
Base-Base interactions energy: -144.010
where: short stacking energy: -64.012
Base-Backbone interact. energy: -0.001
local terms energy: -64.710610
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -10.742
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -15.961
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: 10
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -217.714311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.714311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.800205 (E_RNA)
where:
Base-Base interactions energy: -158.739
where: short stacking energy: -60.158
Base-Backbone interact. energy: 0.190
local terms energy: -59.250613
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -11.368
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -6.585
tors. eta vs tors. theta energy: -14.104
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: 250
Temperature: 1.100000
Total energy: -210.994406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.994406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.001496 (E_RNA)
where:
Base-Base interactions energy: -148.360
where: short stacking energy: -60.932
Base-Backbone interact. energy: -0.024
local terms energy: -62.617140
where:
bonds (distance) C4'-P energy: -10.977
bonds (distance) P-C4' energy: -13.315
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -16.771
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: 2
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -206.549362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.549362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.749807 (E_RNA)
where:
Base-Base interactions energy: -150.260
where: short stacking energy: -62.602
Base-Backbone interact. energy: 0.504
local terms energy: -56.993367
where:
bonds (distance) C4'-P energy: -9.460
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -12.387
flat angles P-C4'-P energy: -2.860
tors. eta vs tors. theta energy: -18.074
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: 7, replica: 9
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -210.687925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.687925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.723700 (E_RNA)
where:
Base-Base interactions energy: -156.058
where: short stacking energy: -58.528
Base-Backbone interact. energy: -0.161
local terms energy: -54.504429
where:
bonds (distance) C4'-P energy: -7.503
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -4.182
tors. eta vs tors. theta energy: -14.934
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: 7
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -196.779925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.779925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.837047 (E_RNA)
where:
Base-Base interactions energy: -134.951
where: short stacking energy: -51.757
Base-Backbone interact. energy: -0.099
local terms energy: -61.787264
where:
bonds (distance) C4'-P energy: -10.417
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -7.393
tors. eta vs tors. theta energy: -15.694
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: 250
Temperature: 1.300000
Total energy: -174.864360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.864360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.296766 (E_RNA)
where:
Base-Base interactions energy: -122.124
where: short stacking energy: -45.543
Base-Backbone interact. energy: -0.781
local terms energy: -59.392364
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -16.200
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -5.300
tors. eta vs tors. theta energy: -11.868
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: 10, replica: 4
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -175.609789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.609789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.140891 (E_RNA)
where:
Base-Base interactions energy: -129.136
where: short stacking energy: -55.787
Base-Backbone interact. energy: -0.000
local terms energy: -54.004130
where:
bonds (distance) C4'-P energy: -11.576
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -7.140
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -14.954
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: 8
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -234.971252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.971252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.007493 (E_RNA)
where:
Base-Base interactions energy: -178.353
where: short stacking energy: -74.096
Base-Backbone interact. energy: -0.003
local terms energy: -56.651095
where:
bonds (distance) C4'-P energy: -11.981
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -2.162
tors. eta vs tors. theta energy: -17.936
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: 251
Temperature: 0.950000
Total energy: -216.356935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.356935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.461044 (E_RNA)
where:
Base-Base interactions energy: -146.789
where: short stacking energy: -64.798
Base-Backbone interact. energy: -0.002
local terms energy: -69.669155
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -13.059
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -16.947
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: 3, replica: 6
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -223.528289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.528289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.569578 (E_RNA)
where:
Base-Base interactions energy: -162.845
where: short stacking energy: -63.295
Base-Backbone interact. energy: -0.090
local terms energy: -60.633748
where:
bonds (distance) C4'-P energy: -9.379
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -4.301
tors. eta vs tors. theta energy: -18.924
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: 10
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -210.160104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.160104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.297654 (E_RNA)
where:
Base-Base interactions energy: -149.656
where: short stacking energy: -63.461
Base-Backbone interact. energy: 0.962
local terms energy: -61.603580
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -10.382
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -7.095
tors. eta vs tors. theta energy: -16.776
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: 1
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -225.301523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.301523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.478127 (E_RNA)
where:
Base-Base interactions energy: -167.269
where: short stacking energy: -69.308
Base-Backbone interact. energy: -1.045
local terms energy: -57.164255
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -9.928
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -2.498
tors. eta vs tors. theta energy: -17.152
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: 9
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -208.097024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.097024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.097024 (E_RNA)
where:
Base-Base interactions energy: -143.907
where: short stacking energy: -55.183
Base-Backbone interact. energy: -0.042
local terms energy: -64.147677
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -5.482
tors. eta vs tors. theta energy: -16.103
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -198.666128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.666128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.720976 (E_RNA)
where:
Base-Base interactions energy: -141.958
where: short stacking energy: -56.986
Base-Backbone interact. energy: -0.024
local terms energy: -56.739056
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -6.955
flat angles C4'-P-C4' energy: -10.962
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -16.792
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: 7
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -195.565336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.565336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.726418 (E_RNA)
where:
Base-Base interactions energy: -137.425
where: short stacking energy: -56.707
Base-Backbone interact. energy: -0.016
local terms energy: -58.285260
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -11.746
flat angles P-C4'-P energy: -5.652
tors. eta vs tors. theta energy: -14.304
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: 9, replica: 5
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -171.499708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.499708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.480589 (E_RNA)
where:
Base-Base interactions energy: -120.806
where: short stacking energy: -50.844
Base-Backbone interact. energy: -0.731
local terms energy: -58.943695
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -13.408
flat angles C4'-P-C4' energy: -9.236
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: -16.279
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: 10, replica: 4
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -167.485230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.485230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.064040 (E_RNA)
where:
Base-Base interactions energy: -122.020
where: short stacking energy: -45.946
Base-Backbone interact. energy: -0.477
local terms energy: -53.566908
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -10.707
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: -10.526
Dist. restrs. and SS energy: 8.579 (S_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: 252
Temperature: 0.900000
Total energy: -220.877524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.877524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.911414 (E_RNA)
where:
Base-Base interactions energy: -155.349
where: short stacking energy: -60.261
Base-Backbone interact. energy: -0.033
local terms energy: -65.529223
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -7.339
tors. eta vs tors. theta energy: -17.689
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: 252
Temperature: 0.950000
Total energy: -214.863202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.863202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.929776 (E_RNA)
where:
Base-Base interactions energy: -151.898
where: short stacking energy: -64.451
Base-Backbone interact. energy: -0.008
local terms energy: -63.024310
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -4.811
tors. eta vs tors. theta energy: -15.622
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: 6
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -227.239614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.239614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.244182 (E_RNA)
where:
Base-Base interactions energy: -171.183
where: short stacking energy: -66.794
Base-Backbone interact. energy: -0.010
local terms energy: -56.051024
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: 0.037
tors. eta vs tors. theta energy: -14.593
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: 252
Temperature: 1.050000
Total energy: -207.519681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.519681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.588065 (E_RNA)
where:
Base-Base interactions energy: -139.989
where: short stacking energy: -58.729
Base-Backbone interact. energy: -0.006
local terms energy: -67.593106
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -15.483
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: 9
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -211.413453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.413453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.565832 (E_RNA)
where:
Base-Base interactions energy: -142.819
where: short stacking energy: -64.963
Base-Backbone interact. energy: -0.047
local terms energy: -68.699149
where:
bonds (distance) C4'-P energy: -11.667
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -9.074
tors. eta vs tors. theta energy: -18.048
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: 6, replica: 1
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -198.930239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.930239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.043241 (E_RNA)
where:
Base-Base interactions energy: -134.918
where: short stacking energy: -49.859
Base-Backbone interact. energy: -0.859
local terms energy: -63.266357
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -12.795
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: 7
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -203.989168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.989168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.025355 (E_RNA)
where:
Base-Base interactions energy: -145.264
where: short stacking energy: -60.140
Base-Backbone interact. energy: -0.000
local terms energy: -58.761175
where:
bonds (distance) C4'-P energy: -8.377
bonds (distance) P-C4' energy: -11.578
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -16.814
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: 252
Temperature: 1.250000
Total energy: -203.899112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.899112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.942632 (E_RNA)
where:
Base-Base interactions energy: -142.889
where: short stacking energy: -57.235
Base-Backbone interact. energy: -0.074
local terms energy: -60.979550
where:
bonds (distance) C4'-P energy: -10.293
bonds (distance) P-C4' energy: -13.230
flat angles C4'-P-C4' energy: -12.465
flat angles P-C4'-P energy: -6.878
tors. eta vs tors. theta energy: -18.113
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: 5
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -181.232462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.232462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.656446 (E_RNA)
where:
Base-Base interactions energy: -138.169
where: short stacking energy: -55.760
Base-Backbone interact. energy: -0.164
local terms energy: -50.324036
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -8.584
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -0.011
tors. eta vs tors. theta energy: -14.414
Dist. restrs. and SS energy: 7.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -176.746724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.746724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.143969 (E_RNA)
where:
Base-Base interactions energy: -128.291
where: short stacking energy: -51.575
Base-Backbone interact. energy: -0.026
local terms energy: -56.826824
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -11.283
flat angles P-C4'-P energy: -6.564
tors. eta vs tors. theta energy: -13.890
Dist. restrs. and SS energy: 8.397 (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: 8
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -226.212837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.212837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.259058 (E_RNA)
where:
Base-Base interactions energy: -158.382
where: short stacking energy: -62.590
Base-Backbone interact. energy: -0.001
local terms energy: -67.875517
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -5.464
tors. eta vs tors. theta energy: -19.192
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: 6
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -229.978771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.978771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.195273 (E_RNA)
where:
Base-Base interactions energy: -163.387
where: short stacking energy: -65.000
Base-Backbone interact. energy: -0.021
local terms energy: -66.788031
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -5.818
tors. eta vs tors. theta energy: -17.718
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: 3, replica: 3
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -212.335086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.335086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.603431 (E_RNA)
where:
Base-Base interactions energy: -150.131
where: short stacking energy: -67.131
Base-Backbone interact. energy: 0.463
local terms energy: -62.935259
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -10.627
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -8.027
tors. eta vs tors. theta energy: -16.490
Dist. restrs. and SS energy: 0.268 (S_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: 253
Temperature: 1.050000
Total energy: -214.660423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.660423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.793761 (E_RNA)
where:
Base-Base interactions energy: -151.980
where: short stacking energy: -65.800
Base-Backbone interact. energy: -0.000
local terms energy: -62.813649
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -12.355
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -15.785
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: 5, replica: 10
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -205.507889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.507889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.637355 (E_RNA)
where:
Base-Base interactions energy: -147.876
where: short stacking energy: -62.405
Base-Backbone interact. energy: -0.156
local terms energy: -57.605923
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -12.559
flat angles P-C4'-P energy: -4.837
tors. eta vs tors. theta energy: -14.774
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: 6, replica: 1
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -205.143327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.143327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.179920 (E_RNA)
where:
Base-Base interactions energy: -147.914
where: short stacking energy: -66.369
Base-Backbone interact. energy: -0.009
local terms energy: -57.256987
where:
bonds (distance) C4'-P energy: -7.897
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -12.835
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: -13.967
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: 7
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -200.009566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.009566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.156836 (E_RNA)
where:
Base-Base interactions energy: -140.665
where: short stacking energy: -57.195
Base-Backbone interact. energy: -0.004
local terms energy: -59.488505
where:
bonds (distance) C4'-P energy: -9.036
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -7.612
tors. eta vs tors. theta energy: -16.189
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: 8, replica: 5
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -182.041195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.041195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.897807 (E_RNA)
where:
Base-Base interactions energy: -123.688
where: short stacking energy: -60.242
Base-Backbone interact. energy: -0.031
local terms energy: -66.179040
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -12.126
flat angles C4'-P-C4' energy: -12.798
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -17.060
Dist. restrs. and SS energy: 7.857 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -203.181422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.181422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.217211 (E_RNA)
where:
Base-Base interactions energy: -139.989
where: short stacking energy: -64.287
Base-Backbone interact. energy: -0.000
local terms energy: -63.228064
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -8.648
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -17.677
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: 4
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -181.794139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.794139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.858872 (E_RNA)
where:
Base-Base interactions energy: -124.305
where: short stacking energy: -46.801
Base-Backbone interact. energy: -1.380
local terms energy: -63.173771
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -13.805
Dist. restrs. and SS energy: 7.065 (S_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: 254
Temperature: 0.900000
Total energy: -229.234643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.234643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.347041 (E_RNA)
where:
Base-Base interactions energy: -168.156
where: short stacking energy: -70.298
Base-Backbone interact. energy: -0.001
local terms energy: -61.189784
where:
bonds (distance) C4'-P energy: -6.763
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -18.116
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: 2, replica: 6
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -236.073574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.073574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.083089 (E_RNA)
where:
Base-Base interactions energy: -177.866
where: short stacking energy: -75.036
Base-Backbone interact. energy: -0.086
local terms energy: -58.131303
where:
bonds (distance) C4'-P energy: -10.527
bonds (distance) P-C4' energy: -11.760
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -4.336
tors. eta vs tors. theta energy: -16.902
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: 254
Temperature: 1.000000
Total energy: -209.043491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.043491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.247719 (E_RNA)
where:
Base-Base interactions energy: -146.763
where: short stacking energy: -63.964
Base-Backbone interact. energy: -0.009
local terms energy: -62.475626
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -13.642
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -13.714
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: 4, replica: 3
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -221.749169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.749169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.795954 (E_RNA)
where:
Base-Base interactions energy: -157.432
where: short stacking energy: -65.137
Base-Backbone interact. energy: -0.015
local terms energy: -64.349704
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -6.896
tors. eta vs tors. theta energy: -17.733
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: 5, replica: 1
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -213.121186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.121186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.141967 (E_RNA)
where:
Base-Base interactions energy: -150.734
where: short stacking energy: -59.562
Base-Backbone interact. energy: -0.004
local terms energy: -62.403738
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -5.820
tors. eta vs tors. theta energy: -13.512
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: 10
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -200.758873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.758873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.869094 (E_RNA)
where:
Base-Base interactions energy: -135.410
where: short stacking energy: -54.479
Base-Backbone interact. energy: -0.713
local terms energy: -64.745748
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -15.127
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: 5
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -190.385127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.385127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.351713 (E_RNA)
where:
Base-Base interactions energy: -137.641
where: short stacking energy: -62.442
Base-Backbone interact. energy: -0.012
local terms energy: -61.698368
where:
bonds (distance) C4'-P energy: -10.984
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -5.605
tors. eta vs tors. theta energy: -16.848
Dist. restrs. and SS energy: 8.967 (S_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: 254
Temperature: 1.250000
Total energy: -199.288677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.288677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.379953 (E_RNA)
where:
Base-Base interactions energy: -140.846
where: short stacking energy: -59.878
Base-Backbone interact. energy: -0.002
local terms energy: -58.531380
where:
bonds (distance) C4'-P energy: -9.346
bonds (distance) P-C4' energy: -11.619
flat angles C4'-P-C4' energy: -12.500
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -14.788
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: 9, replica: 2
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -201.163313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.163313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.163313 (E_RNA)
where:
Base-Base interactions energy: -137.035
where: short stacking energy: -53.586
Base-Backbone interact. energy: -0.021
local terms energy: -64.107317
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -11.839
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -14.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -169.404467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.404467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.530241 (E_RNA)
where:
Base-Base interactions energy: -117.135
where: short stacking energy: -47.420
Base-Backbone interact. energy: -0.486
local terms energy: -58.908697
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -11.988
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: -12.308
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: 1, replica: 8
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -223.441992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.441992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.528613 (E_RNA)
where:
Base-Base interactions energy: -154.136
where: short stacking energy: -67.987
Base-Backbone interact. energy: -0.003
local terms energy: -69.389625
where:
bonds (distance) C4'-P energy: -14.213
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -8.045
tors. eta vs tors. theta energy: -16.817
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: 6
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -233.804179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.804179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.882965 (E_RNA)
where:
Base-Base interactions energy: -168.640
where: short stacking energy: -66.811
Base-Backbone interact. energy: -0.201
local terms energy: -65.042056
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -5.260
tors. eta vs tors. theta energy: -17.052
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: 9
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -218.468963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.468963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.468963 (E_RNA)
where:
Base-Base interactions energy: -157.341
where: short stacking energy: -65.490
Base-Backbone interact. energy: 0.166
local terms energy: -61.293462
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -10.859
flat angles C4'-P-C4' energy: -12.405
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -16.252
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -229.431533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.431533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.506601 (E_RNA)
where:
Base-Base interactions energy: -166.982
where: short stacking energy: -69.723
Base-Backbone interact. energy: -0.004
local terms energy: -62.521374
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -1.400
tors. eta vs tors. theta energy: -18.520
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: 1
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -207.860513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.860513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.911086 (E_RNA)
where:
Base-Base interactions energy: -147.235
where: short stacking energy: -55.044
Base-Backbone interact. energy: -0.160
local terms energy: -60.515566
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -8.502
flat angles P-C4'-P energy: -4.596
tors. eta vs tors. theta energy: -17.839
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: 255
Temperature: 1.150000
Total energy: -203.013692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.013692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.115528 (E_RNA)
where:
Base-Base interactions energy: -146.889
where: short stacking energy: -62.059
Base-Backbone interact. energy: -0.083
local terms energy: -56.144016
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -9.170
flat angles C4'-P-C4' energy: -10.851
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -13.349
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: 5
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -193.403219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.403219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.334166 (E_RNA)
where:
Base-Base interactions energy: -137.344
where: short stacking energy: -62.575
Base-Backbone interact. energy: -0.886
local terms energy: -63.104283
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -10.198
flat angles C4'-P-C4' energy: -10.758
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -17.996
Dist. restrs. and SS energy: 7.931 (S_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: -208.217417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.217417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.294743 (E_RNA)
where:
Base-Base interactions energy: -155.459
where: short stacking energy: -65.164
Base-Backbone interact. energy: -0.001
local terms energy: -52.834445
where:
bonds (distance) C4'-P energy: -9.380
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -12.817
flat angles P-C4'-P energy: -6.234
tors. eta vs tors. theta energy: -13.181
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: 2
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -194.013207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.013207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.032850 (E_RNA)
where:
Base-Base interactions energy: -131.946
where: short stacking energy: -54.064
Base-Backbone interact. energy: -0.057
local terms energy: -62.030250
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -11.261
flat angles C4'-P-C4' energy: -11.604
flat angles P-C4'-P energy: -8.695
tors. eta vs tors. theta energy: -15.913
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: 4
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -176.664584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.664584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.440694 (E_RNA)
where:
Base-Base interactions energy: -122.790
where: short stacking energy: -51.801
Base-Backbone interact. energy: -0.007
local terms energy: -63.644293
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -12.892
Dist. restrs. and SS energy: 9.776 (S_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: 256
Temperature: 0.900000
Total energy: -234.659267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.659267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.698675 (E_RNA)
where:
Base-Base interactions energy: -170.871
where: short stacking energy: -72.809
Base-Backbone interact. energy: -0.026
local terms energy: -63.801272
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -11.239
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -4.663
tors. eta vs tors. theta energy: -17.164
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: 8
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -224.695678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.695678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.705874 (E_RNA)
where:
Base-Base interactions energy: -158.011
where: short stacking energy: -55.269
Base-Backbone interact. energy: -0.032
local terms energy: -66.662266
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: -16.077
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: 3
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -219.573480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.573480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.637481 (E_RNA)
where:
Base-Base interactions energy: -159.540
where: short stacking energy: -60.972
Base-Backbone interact. energy: -0.004
local terms energy: -60.093377
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -5.118
tors. eta vs tors. theta energy: -14.667
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: 256
Temperature: 1.050000
Total energy: -215.377088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.377088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.589757 (E_RNA)
where:
Base-Base interactions energy: -150.605
where: short stacking energy: -62.228
Base-Backbone interact. energy: 1.142
local terms energy: -66.125981
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -17.016
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: 5, replica: 10
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -209.759578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.759578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.895094 (E_RNA)
where:
Base-Base interactions energy: -143.934
where: short stacking energy: -61.952
Base-Backbone interact. energy: -0.003
local terms energy: -65.957988
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -14.199
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: 1
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -223.540007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.540007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.574079 (E_RNA)
where:
Base-Base interactions energy: -164.532
where: short stacking energy: -69.961
Base-Backbone interact. energy: -0.005
local terms energy: -59.037303
where:
bonds (distance) C4'-P energy: -8.483
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -3.363
tors. eta vs tors. theta energy: -17.195
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: 256
Temperature: 1.200000
Total energy: -215.040964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.040964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.089608 (E_RNA)
where:
Base-Base interactions energy: -154.704
where: short stacking energy: -59.839
Base-Backbone interact. energy: -0.047
local terms energy: -60.338397
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -4.059
tors. eta vs tors. theta energy: -15.070
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: 256
Temperature: 1.250000
Total energy: -177.576108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.576108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.811998 (E_RNA)
where:
Base-Base interactions energy: -121.894
where: short stacking energy: -52.158
Base-Backbone interact. energy: -2.178
local terms energy: -60.739556
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -12.464
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -10.379
Dist. restrs. and SS energy: 7.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -198.339429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.339429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.355772 (E_RNA)
where:
Base-Base interactions energy: -141.043
where: short stacking energy: -55.824
Base-Backbone interact. energy: -0.024
local terms energy: -57.289308
where:
bonds (distance) C4'-P energy: -9.093
bonds (distance) P-C4' energy: -11.103
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -12.555
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: 4
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -173.896981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.896981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.554465 (E_RNA)
where:
Base-Base interactions energy: -122.205
where: short stacking energy: -49.638
Base-Backbone interact. energy: -0.149
local terms energy: -58.200489
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -12.811
flat angles C4'-P-C4' energy: -8.822
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: -15.902
Dist. restrs. and SS energy: 6.657 (S_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: 257
Temperature: 0.900000
Total energy: -233.016324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.016324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.067313 (E_RNA)
where:
Base-Base interactions energy: -171.779
where: short stacking energy: -69.969
Base-Backbone interact. energy: -0.490
local terms energy: -60.798145
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -12.759
flat angles C4'-P-C4' energy: -12.525
flat angles P-C4'-P energy: -4.989
tors. eta vs tors. theta energy: -18.410
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: 257
Temperature: 0.950000
Total energy: -229.165517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.165517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.253056 (E_RNA)
where:
Base-Base interactions energy: -167.012
where: short stacking energy: -66.465
Base-Backbone interact. energy: -0.323
local terms energy: -61.918358
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -11.687
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -6.250
tors. eta vs tors. theta energy: -16.358
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: 3
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -214.783085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.783085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.783085 (E_RNA)
where:
Base-Base interactions energy: -155.944
where: short stacking energy: -60.250
Base-Backbone interact. energy: -0.001
local terms energy: -58.838168
where:
bonds (distance) C4'-P energy: -8.422
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -6.229
tors. eta vs tors. theta energy: -16.953
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -218.605359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.605359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.629474 (E_RNA)
where:
Base-Base interactions energy: -152.194
where: short stacking energy: -57.372
Base-Backbone interact. energy: 0.293
local terms energy: -66.728224
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -15.986
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: 10
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -204.719394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.719394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.898635 (E_RNA)
where:
Base-Base interactions energy: -147.357
where: short stacking energy: -64.118
Base-Backbone interact. energy: -0.034
local terms energy: -57.507764
where:
bonds (distance) C4'-P energy: -10.696
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -10.717
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -13.911
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: 1
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -204.266989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.266989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.300525 (E_RNA)
where:
Base-Base interactions energy: -145.009
where: short stacking energy: -60.879
Base-Backbone interact. energy: -0.001
local terms energy: -59.290755
where:
bonds (distance) C4'-P energy: -4.643
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -11.627
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -18.657
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: 257
Temperature: 1.200000
Total energy: -198.401836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.401836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.470764 (E_RNA)
where:
Base-Base interactions energy: -139.122
where: short stacking energy: -51.343
Base-Backbone interact. energy: 0.308
local terms energy: -59.656182
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -5.596
tors. eta vs tors. theta energy: -13.500
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: 257
Temperature: 1.250000
Total energy: -199.348667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.348667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.572864 (E_RNA)
where:
Base-Base interactions energy: -142.850
where: short stacking energy: -57.805
Base-Backbone interact. energy: -0.098
local terms energy: -56.624574
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -10.518
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -6.973
tors. eta vs tors. theta energy: -15.837
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: 9, replica: 5
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -176.087300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.087300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.357278 (E_RNA)
where:
Base-Base interactions energy: -124.421
where: short stacking energy: -55.286
Base-Backbone interact. energy: -0.808
local terms energy: -60.128105
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -12.267
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -15.252
Dist. restrs. and SS energy: 9.270 (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: 4
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -167.603819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.603819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.825429 (E_RNA)
where:
Base-Base interactions energy: -121.641
where: short stacking energy: -52.487
Base-Backbone interact. energy: 0.185
local terms energy: -53.370006
where:
bonds (distance) C4'-P energy: -8.727
bonds (distance) P-C4' energy: -11.162
flat angles C4'-P-C4' energy: -11.241
flat angles P-C4'-P energy: -9.587
tors. eta vs tors. theta energy: -12.653
Dist. restrs. and SS energy: 7.222 (S_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: 258
Temperature: 0.900000
Total energy: -224.172675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.172675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.172675 (E_RNA)
where:
Base-Base interactions energy: -159.914
where: short stacking energy: -61.316
Base-Backbone interact. energy: 0.184
local terms energy: -64.442531
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -7.303
tors. eta vs tors. theta energy: -14.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -226.734631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.734631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.789997 (E_RNA)
where:
Base-Base interactions energy: -161.863
where: short stacking energy: -61.446
Base-Backbone interact. energy: -0.268
local terms energy: -64.658666
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -5.567
tors. eta vs tors. theta energy: -15.770
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: 3
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -225.709852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.709852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.720759 (E_RNA)
where:
Base-Base interactions energy: -159.159
where: short stacking energy: -61.774
Base-Backbone interact. energy: -0.590
local terms energy: -65.971501
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -12.758
flat angles P-C4'-P energy: -5.031
tors. eta vs tors. theta energy: -17.238
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: 9
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -213.443273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.443273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.666171 (E_RNA)
where:
Base-Base interactions energy: -145.169
where: short stacking energy: -58.947
Base-Backbone interact. energy: -0.063
local terms energy: -68.434615
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -15.119
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: 1
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -201.873582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.873582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.933722 (E_RNA)
where:
Base-Base interactions energy: -141.411
where: short stacking energy: -54.438
Base-Backbone interact. energy: -0.107
local terms energy: -60.416316
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -11.317
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -12.501
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: 10
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -209.558217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.558217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.694319 (E_RNA)
where:
Base-Base interactions energy: -152.620
where: short stacking energy: -59.050
Base-Backbone interact. energy: -0.015
local terms energy: -57.060048
where:
bonds (distance) C4'-P energy: -12.503
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -4.518
tors. eta vs tors. theta energy: -12.276
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: 7, replica: 2
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -202.703322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.703322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.738082 (E_RNA)
where:
Base-Base interactions energy: -142.960
where: short stacking energy: -58.687
Base-Backbone interact. energy: 1.045
local terms energy: -60.822115
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -13.508
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: 7
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -202.148694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.148694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.239378 (E_RNA)
where:
Base-Base interactions energy: -135.706
where: short stacking energy: -54.672
Base-Backbone interact. energy: -0.242
local terms energy: -66.291635
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -14.739
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: 9, replica: 4
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -184.730652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.730652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.093110 (E_RNA)
where:
Base-Base interactions energy: -132.166
where: short stacking energy: -55.700
Base-Backbone interact. energy: -0.004
local terms energy: -58.922705
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -11.595
Dist. restrs. and SS energy: 6.362 (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: 258
Temperature: 1.350000
Total energy: -187.606036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.606036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.881196 (E_RNA)
where:
Base-Base interactions energy: -139.168
where: short stacking energy: -58.617
Base-Backbone interact. energy: -0.004
local terms energy: -55.709571
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -11.041
flat angles C4'-P-C4' energy: -10.170
flat angles P-C4'-P energy: -6.972
tors. eta vs tors. theta energy: -14.852
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: 6
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -217.181028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.181028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.216320 (E_RNA)
where:
Base-Base interactions energy: -151.016
where: short stacking energy: -65.383
Base-Backbone interact. energy: -0.056
local terms energy: -66.144242
where:
bonds (distance) C4'-P energy: -11.251
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -9.898
tors. eta vs tors. theta energy: -15.504
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: 3
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -217.125974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.125974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.289614 (E_RNA)
where:
Base-Base interactions energy: -154.586
where: short stacking energy: -64.137
Base-Backbone interact. energy: -0.003
local terms energy: -62.700102
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -12.754
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -3.600
tors. eta vs tors. theta energy: -18.572
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: 3, replica: 8
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -215.826156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.826156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.848324 (E_RNA)
where:
Base-Base interactions energy: -154.790
where: short stacking energy: -57.879
Base-Backbone interact. energy: -0.150
local terms energy: -60.908077
where:
bonds (distance) C4'-P energy: -12.735
bonds (distance) P-C4' energy: -14.652
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -5.065
tors. eta vs tors. theta energy: -13.782
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: 9
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -216.626014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.626014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.697639 (E_RNA)
where:
Base-Base interactions energy: -152.585
where: short stacking energy: -58.508
Base-Backbone interact. energy: -0.576
local terms energy: -63.536295
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -10.375
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -14.234
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: 1
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -206.157844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.157844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.179541 (E_RNA)
where:
Base-Base interactions energy: -143.930
where: short stacking energy: -60.223
Base-Backbone interact. energy: 0.494
local terms energy: -62.743917
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -12.485
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: 10
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -204.555533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.555533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.612482 (E_RNA)
where:
Base-Base interactions energy: -147.201
where: short stacking energy: -57.364
Base-Backbone interact. energy: -0.100
local terms energy: -57.310963
where:
bonds (distance) C4'-P energy: -9.048
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -3.786
tors. eta vs tors. theta energy: -16.774
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: 7, replica: 2
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -200.432798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.432798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.524145 (E_RNA)
where:
Base-Base interactions energy: -140.824
where: short stacking energy: -59.526
Base-Backbone interact. energy: -0.069
local terms energy: -59.631076
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -8.505
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -15.376
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: 7
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -201.038758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.038758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.116687 (E_RNA)
where:
Base-Base interactions energy: -142.303
where: short stacking energy: -58.040
Base-Backbone interact. energy: -0.341
local terms energy: -58.472105
where:
bonds (distance) C4'-P energy: -6.640
bonds (distance) P-C4' energy: -11.134
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -11.293
tors. eta vs tors. theta energy: -15.269
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: 259
Temperature: 1.300000
Total energy: -180.822750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.822750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.937220 (E_RNA)
where:
Base-Base interactions energy: -124.152
where: short stacking energy: -52.578
Base-Backbone interact. energy: -0.572
local terms energy: -62.213496
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -9.154
tors. eta vs tors. theta energy: -13.650
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: 10, replica: 5
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -173.621194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.621194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.284510 (E_RNA)
where:
Base-Base interactions energy: -120.134
where: short stacking energy: -51.955
Base-Backbone interact. energy: -0.027
local terms energy: -62.123502
where:
bonds (distance) C4'-P energy: -10.345
bonds (distance) P-C4' energy: -12.030
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -14.568
Dist. restrs. and SS energy: 8.663 (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: 6
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -222.187449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.187449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.261038 (E_RNA)
where:
Base-Base interactions energy: -153.975
where: short stacking energy: -65.251
Base-Backbone interact. energy: -0.206
local terms energy: -68.080420
where:
bonds (distance) C4'-P energy: -10.806
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -16.828
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: 3
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -216.021377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.021377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.111822 (E_RNA)
where:
Base-Base interactions energy: -150.889
where: short stacking energy: -60.196
Base-Backbone interact. energy: -0.716
local terms energy: -64.506303
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -10.276
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -12.828
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: 9
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -216.271245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.271245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.271245 (E_RNA)
where:
Base-Base interactions energy: -153.402
where: short stacking energy: -54.724
Base-Backbone interact. energy: -0.009
local terms energy: -62.860406
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -10.809
flat angles P-C4'-P energy: -6.801
tors. eta vs tors. theta energy: -15.764
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -214.012119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.012119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.014977 (E_RNA)
where:
Base-Base interactions energy: -148.401
where: short stacking energy: -61.149
Base-Backbone interact. energy: -0.010
local terms energy: -65.604013
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -11.827
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -17.294
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: 10
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -213.464071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.464071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.464071 (E_RNA)
where:
Base-Base interactions energy: -143.839
where: short stacking energy: -57.691
Base-Backbone interact. energy: -0.001
local terms energy: -69.624432
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -11.068
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -18.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -217.248803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.248803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.296464 (E_RNA)
where:
Base-Base interactions energy: -162.582
where: short stacking energy: -64.706
Base-Backbone interact. energy: -0.032
local terms energy: -54.682524
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -9.339
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -2.978
tors. eta vs tors. theta energy: -15.575
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: 7, replica: 2
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -203.255358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.255358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.292146 (E_RNA)
where:
Base-Base interactions energy: -140.033
where: short stacking energy: -55.112
Base-Backbone interact. energy: -0.358
local terms energy: -62.901518
where:
bonds (distance) C4'-P energy: -13.559
bonds (distance) P-C4' energy: -12.438
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -15.200
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: 7
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -191.513768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.513768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.572787 (E_RNA)
where:
Base-Base interactions energy: -130.716
where: short stacking energy: -51.679
Base-Backbone interact. energy: -0.002
local terms energy: -60.855454
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -11.958
flat angles P-C4'-P energy: -6.487
tors. eta vs tors. theta energy: -15.621
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: 5
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -179.133043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.133043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.394611 (E_RNA)
where:
Base-Base interactions energy: -131.174
where: short stacking energy: -58.317
Base-Backbone interact. energy: -0.002
local terms energy: -56.218532
where:
bonds (distance) C4'-P energy: -10.688
bonds (distance) P-C4' energy: -12.876
flat angles C4'-P-C4' energy: -11.066
flat angles P-C4'-P energy: -6.693
tors. eta vs tors. theta energy: -14.896
Dist. restrs. and SS energy: 8.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -179.152578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.152578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.701147 (E_RNA)
where:
Base-Base interactions energy: -124.166
where: short stacking energy: -54.308
Base-Backbone interact. energy: -0.765
local terms energy: -61.770360
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -11.824
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -13.586
Dist. restrs. and SS energy: 7.549 (S_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: 261
Temperature: 0.900000
Total energy: -228.825313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.825313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.851487 (E_RNA)
where:
Base-Base interactions energy: -168.596
where: short stacking energy: -70.129
Base-Backbone interact. energy: -0.002
local terms energy: -60.253143
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -10.261
flat angles C4'-P-C4' energy: -11.334
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: -17.462
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: 261
Temperature: 0.950000
Total energy: -214.773748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.773748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.773748 (E_RNA)
where:
Base-Base interactions energy: -148.623
where: short stacking energy: -60.052
Base-Backbone interact. energy: -0.103
local terms energy: -66.047482
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -17.210
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -224.924088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.924088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.948104 (E_RNA)
where:
Base-Base interactions energy: -162.278
where: short stacking energy: -67.108
Base-Backbone interact. energy: -0.020
local terms energy: -62.650331
where:
bonds (distance) C4'-P energy: -12.995
bonds (distance) P-C4' energy: -11.509
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -8.311
tors. eta vs tors. theta energy: -15.491
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: 10
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -208.420003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.420003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.611702 (E_RNA)
where:
Base-Base interactions energy: -142.557
where: short stacking energy: -55.794
Base-Backbone interact. energy: 0.220
local terms energy: -66.274825
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -13.820
flat angles C4'-P-C4' energy: -11.967
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -16.228
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: 261
Temperature: 1.100000
Total energy: -208.805745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.805745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.813354 (E_RNA)
where:
Base-Base interactions energy: -147.988
where: short stacking energy: -60.112
Base-Backbone interact. energy: -0.002
local terms energy: -60.823296
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -9.255
flat angles C4'-P-C4' energy: -10.827
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: -16.974
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: 261
Temperature: 1.150000
Total energy: -202.930341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.930341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.193696 (E_RNA)
where:
Base-Base interactions energy: -143.295
where: short stacking energy: -58.119
Base-Backbone interact. energy: -0.266
local terms energy: -59.633257
where:
bonds (distance) C4'-P energy: -11.676
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -7.557
tors. eta vs tors. theta energy: -14.691
Dist. restrs. and SS energy: 0.263 (S_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: 261
Temperature: 1.200000
Total energy: -210.014935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.014935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.212222 (E_RNA)
where:
Base-Base interactions energy: -146.674
where: short stacking energy: -63.352
Base-Backbone interact. energy: -0.004
local terms energy: -63.533634
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -12.726
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -15.239
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: 8, replica: 7
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -205.857321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.857321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.984578 (E_RNA)
where:
Base-Base interactions energy: -139.599
where: short stacking energy: -55.147
Base-Backbone interact. energy: -0.159
local terms energy: -66.226987
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -12.591
flat angles C4'-P-C4' energy: -12.563
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -17.964
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: 261
Temperature: 1.300000
Total energy: -178.468793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.468793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.568928 (E_RNA)
where:
Base-Base interactions energy: -122.912
where: short stacking energy: -52.044
Base-Backbone interact. energy: -0.197
local terms energy: -62.460274
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -11.832
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: -17.453
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: 261
Temperature: 1.350000
Total energy: -171.714934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.714934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.493566 (E_RNA)
where:
Base-Base interactions energy: -128.896
where: short stacking energy: -52.829
Base-Backbone interact. energy: -0.085
local terms energy: -51.513223
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -6.195
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -7.330
tors. eta vs tors. theta energy: -14.362
Dist. restrs. and SS energy: 8.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -223.871297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.871297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.871297 (E_RNA)
where:
Base-Base interactions energy: -157.963
where: short stacking energy: -60.683
Base-Backbone interact. energy: -0.012
local terms energy: -65.896171
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -14.068
flat angles P-C4'-P energy: -7.370
tors. eta vs tors. theta energy: -15.177
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -224.276820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.276820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.441689 (E_RNA)
where:
Base-Base interactions energy: -162.227
where: short stacking energy: -66.565
Base-Backbone interact. energy: -0.004
local terms energy: -62.210703
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -12.122
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -7.219
tors. eta vs tors. theta energy: -15.541
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: 262
Temperature: 1.000000
Total energy: -212.456850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.456850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.530914 (E_RNA)
where:
Base-Base interactions energy: -144.069
where: short stacking energy: -60.785
Base-Backbone interact. energy: -0.247
local terms energy: -68.215222
where:
bonds (distance) C4'-P energy: -12.421
bonds (distance) P-C4' energy: -14.572
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -17.014
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: 9
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -216.554549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.554549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.750604 (E_RNA)
where:
Base-Base interactions energy: -149.555
where: short stacking energy: -63.902
Base-Backbone interact. energy: -0.156
local terms energy: -67.039861
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -10.872
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -20.183
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: 5, replica: 1
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -201.842956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.842956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.050068 (E_RNA)
where:
Base-Base interactions energy: -143.939
where: short stacking energy: -52.635
Base-Backbone interact. energy: -0.651
local terms energy: -57.459818
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -12.143
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -12.174
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: 6, replica: 8
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -212.888510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.888510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.035544 (E_RNA)
where:
Base-Base interactions energy: -154.188
where: short stacking energy: -57.989
Base-Backbone interact. energy: -0.003
local terms energy: -58.844396
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -11.625
flat angles P-C4'-P energy: -3.824
tors. eta vs tors. theta energy: -17.078
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: 7, replica: 7
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -204.050158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.050158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.059855 (E_RNA)
where:
Base-Base interactions energy: -138.424
where: short stacking energy: -54.948
Base-Backbone interact. energy: -0.005
local terms energy: -65.631420
where:
bonds (distance) C4'-P energy: -9.673
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -12.010
tors. eta vs tors. theta energy: -16.883
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: 2
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -200.206130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.206130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.285062 (E_RNA)
where:
Base-Base interactions energy: -142.225
where: short stacking energy: -58.512
Base-Backbone interact. energy: -0.102
local terms energy: -57.958720
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -9.848
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -12.925
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: 4
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -179.343098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.343098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.686039 (E_RNA)
where:
Base-Base interactions energy: -128.595
where: short stacking energy: -58.043
Base-Backbone interact. energy: 0.522
local terms energy: -58.613592
where:
bonds (distance) C4'-P energy: -10.736
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -11.775
Dist. restrs. and SS energy: 7.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -176.353335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.353335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.066488 (E_RNA)
where:
Base-Base interactions energy: -131.481
where: short stacking energy: -55.368
Base-Backbone interact. energy: -0.010
local terms energy: -52.575352
where:
bonds (distance) C4'-P energy: -6.403
bonds (distance) P-C4' energy: -12.353
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -5.464
tors. eta vs tors. theta energy: -16.173
Dist. restrs. and SS energy: 7.713 (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: 3
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -233.127184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.127184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.167059 (E_RNA)
where:
Base-Base interactions energy: -170.688
where: short stacking energy: -67.987
Base-Backbone interact. energy: -0.073
local terms energy: -62.406099
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -3.650
tors. eta vs tors. theta energy: -17.382
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: 263
Temperature: 0.950000
Total energy: -217.183880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.183880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.268277 (E_RNA)
where:
Base-Base interactions energy: -153.747
where: short stacking energy: -64.993
Base-Backbone interact. energy: 1.908
local terms energy: -65.429393
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -17.629
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: 10
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -219.991381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.991381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.991381 (E_RNA)
where:
Base-Base interactions energy: -158.825
where: short stacking energy: -59.651
Base-Backbone interact. energy: -0.008
local terms energy: -61.158406
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -11.113
flat angles P-C4'-P energy: -7.486
tors. eta vs tors. theta energy: -15.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -206.333524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.333524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.374387 (E_RNA)
where:
Base-Base interactions energy: -143.327
where: short stacking energy: -57.464
Base-Backbone interact. energy: 1.088
local terms energy: -64.135070
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -12.732
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -14.468
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: 9
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -210.041367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.041367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.042264 (E_RNA)
where:
Base-Base interactions energy: -144.359
where: short stacking energy: -53.402
Base-Backbone interact. energy: -0.077
local terms energy: -65.605861
where:
bonds (distance) C4'-P energy: -10.178
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -16.278
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -16.468
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: 263
Temperature: 1.150000
Total energy: -204.885235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.885235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.924280 (E_RNA)
where:
Base-Base interactions energy: -141.555
where: short stacking energy: -60.513
Base-Backbone interact. energy: -0.102
local terms energy: -63.267215
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -11.686
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -16.534
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: 263
Temperature: 1.200000
Total energy: -192.894737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.894737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.942653 (E_RNA)
where:
Base-Base interactions energy: -128.502
where: short stacking energy: -50.291
Base-Backbone interact. energy: -0.016
local terms energy: -64.425169
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -12.556
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -14.965
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: 8, replica: 2
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -199.155924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.155924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.217598 (E_RNA)
where:
Base-Base interactions energy: -145.039
where: short stacking energy: -58.542
Base-Backbone interact. energy: -0.212
local terms energy: -53.966038
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -11.257
flat angles C4'-P-C4' energy: -12.736
flat angles P-C4'-P energy: -0.994
tors. eta vs tors. theta energy: -17.402
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: 263
Temperature: 1.300000
Total energy: -191.327007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.327007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.647381 (E_RNA)
where:
Base-Base interactions energy: -139.344
where: short stacking energy: -64.729
Base-Backbone interact. energy: -0.610
local terms energy: -58.693535
where:
bonds (distance) C4'-P energy: -10.455
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -10.663
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -16.158
Dist. restrs. and SS energy: 7.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -180.778132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.778132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.282100 (E_RNA)
where:
Base-Base interactions energy: -127.887
where: short stacking energy: -56.280
Base-Backbone interact. energy: -0.344
local terms energy: -59.051329
where:
bonds (distance) C4'-P energy: -7.826
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -11.485
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -15.782
Dist. restrs. and SS energy: 6.504 (S_DIST_RNA)
chem. 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: -237.323342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.323342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.371126 (E_RNA)
where:
Base-Base interactions energy: -174.671
where: short stacking energy: -71.778
Base-Backbone interact. energy: -0.037
local terms energy: -62.662774
where:
bonds (distance) C4'-P energy: -9.826
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -5.736
tors. eta vs tors. theta energy: -19.417
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: 6
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -225.894390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.894390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.894390 (E_RNA)
where:
Base-Base interactions energy: -161.813
where: short stacking energy: -69.152
Base-Backbone interact. energy: -0.042
local terms energy: -64.039246
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: -18.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -221.499387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.499387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.537318 (E_RNA)
where:
Base-Base interactions energy: -160.336
where: short stacking energy: -61.767
Base-Backbone interact. energy: -0.416
local terms energy: -60.785314
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -2.552
tors. eta vs tors. theta energy: -14.409
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: 264
Temperature: 1.050000
Total energy: -210.804500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.804500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.821436 (E_RNA)
where:
Base-Base interactions energy: -148.108
where: short stacking energy: -61.897
Base-Backbone interact. energy: 0.620
local terms energy: -63.333890
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -15.338
flat angles C4'-P-C4' energy: -9.141
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -15.277
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: 264
Temperature: 1.100000
Total energy: -203.482799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.482799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.518930 (E_RNA)
where:
Base-Base interactions energy: -142.052
where: short stacking energy: -57.641
Base-Backbone interact. energy: -0.004
local terms energy: -61.463264
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -13.404
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -12.132
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: 9
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -204.638425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.638425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.781912 (E_RNA)
where:
Base-Base interactions energy: -148.275
where: short stacking energy: -59.793
Base-Backbone interact. energy: -0.320
local terms energy: -56.186606
where:
bonds (distance) C4'-P energy: -9.026
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -9.165
flat angles P-C4'-P energy: -7.520
tors. eta vs tors. theta energy: -17.006
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: 7, replica: 2
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -206.618355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.618355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.658087 (E_RNA)
where:
Base-Base interactions energy: -140.994
where: short stacking energy: -56.230
Base-Backbone interact. energy: -0.000
local terms energy: -65.663851
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -16.239
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -15.453
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: 264
Temperature: 1.250000
Total energy: -197.399269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.399269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.444124 (E_RNA)
where:
Base-Base interactions energy: -141.432
where: short stacking energy: -57.986
Base-Backbone interact. energy: 0.344
local terms energy: -56.355832
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -10.862
flat angles P-C4'-P energy: -6.556
tors. eta vs tors. theta energy: -13.076
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: 264
Temperature: 1.300000
Total energy: -171.588556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.588556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.064776 (E_RNA)
where:
Base-Base interactions energy: -129.993
where: short stacking energy: -54.981
Base-Backbone interact. energy: -0.030
local terms energy: -49.042238
where:
bonds (distance) C4'-P energy: -11.317
bonds (distance) P-C4' energy: -8.505
flat angles C4'-P-C4' energy: -8.451
flat angles P-C4'-P energy: -7.130
tors. eta vs tors. theta energy: -13.639
Dist. restrs. and SS energy: 7.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -170.759775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.759775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.283710 (E_RNA)
where:
Base-Base interactions energy: -120.911
where: short stacking energy: -49.096
Base-Backbone interact. energy: -0.087
local terms energy: -56.285666
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -10.679
flat angles P-C4'-P energy: -5.894
tors. eta vs tors. theta energy: -14.547
Dist. restrs. and SS energy: 6.524 (S_DIST_RNA)
chem. 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: -236.313498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.313498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.349720 (E_RNA)
where:
Base-Base interactions energy: -173.252
where: short stacking energy: -68.548
Base-Backbone interact. energy: -0.006
local terms energy: -63.092242
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -13.825
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -5.312
tors. eta vs tors. theta energy: -17.066
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: 10
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -228.355155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.355155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.355155 (E_RNA)
where:
Base-Base interactions energy: -167.329
where: short stacking energy: -62.351
Base-Backbone interact. energy: -0.287
local terms energy: -60.739225
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -11.675
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -3.961
tors. eta vs tors. theta energy: -18.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -215.160567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.160567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.347295 (E_RNA)
where:
Base-Base interactions energy: -158.238
where: short stacking energy: -61.620
Base-Backbone interact. energy: -0.241
local terms energy: -56.868441
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -11.249
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -13.134
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: 4, replica: 1
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -213.348062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.348062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.358093 (E_RNA)
where:
Base-Base interactions energy: -152.163
where: short stacking energy: -65.613
Base-Backbone interact. energy: -0.005
local terms energy: -61.190425
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -9.615
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -7.888
tors. eta vs tors. theta energy: -16.845
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: 265
Temperature: 1.100000
Total energy: -205.347335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.347335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.384562 (E_RNA)
where:
Base-Base interactions energy: -142.656
where: short stacking energy: -58.709
Base-Backbone interact. energy: -0.012
local terms energy: -62.716994
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -7.205
tors. eta vs tors. theta energy: -14.698
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: 265
Temperature: 1.150000
Total energy: -209.118017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.118017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.118017 (E_RNA)
where:
Base-Base interactions energy: -148.424
where: short stacking energy: -58.614
Base-Backbone interact. energy: -0.000
local terms energy: -60.694008
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -9.480
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -6.667
tors. eta vs tors. theta energy: -16.783
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -208.693564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.693564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.693564 (E_RNA)
where:
Base-Base interactions energy: -151.301
where: short stacking energy: -62.990
Base-Backbone interact. energy: -0.019
local terms energy: -57.373163
where:
bonds (distance) C4'-P energy: -7.479
bonds (distance) P-C4' energy: -14.048
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -14.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -198.687069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.687069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.696501 (E_RNA)
where:
Base-Base interactions energy: -134.553
where: short stacking energy: -48.846
Base-Backbone interact. energy: -0.851
local terms energy: -63.292196
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -8.024
tors. eta vs tors. theta energy: -15.611
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: 265
Temperature: 1.300000
Total energy: -184.403207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.403207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.580356 (E_RNA)
where:
Base-Base interactions energy: -137.654
where: short stacking energy: -61.909
Base-Backbone interact. energy: -0.001
local terms energy: -54.925566
where:
bonds (distance) C4'-P energy: -5.843
bonds (distance) P-C4' energy: -9.309
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: -15.990
Dist. restrs. and SS energy: 8.177 (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: 265
Temperature: 1.350000
Total energy: -176.741406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.741406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.853827 (E_RNA)
where:
Base-Base interactions energy: -128.367
where: short stacking energy: -54.112
Base-Backbone interact. energy: -0.000
local terms energy: -56.485990
where:
bonds (distance) C4'-P energy: -10.428
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -10.018
flat angles P-C4'-P energy: -7.108
tors. eta vs tors. theta energy: -14.036
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: 266
Temperature: 0.900000
Total energy: -240.822426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.822426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.054400 (E_RNA)
where:
Base-Base interactions energy: -171.681
where: short stacking energy: -72.507
Base-Backbone interact. energy: -0.168
local terms energy: -69.205842
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -13.664
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -18.571
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: 2, replica: 3
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -230.711379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.711379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.727993 (E_RNA)
where:
Base-Base interactions energy: -167.191
where: short stacking energy: -69.248
Base-Backbone interact. energy: -0.190
local terms energy: -63.346348
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -11.601
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -6.283
tors. eta vs tors. theta energy: -20.027
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: 6
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -212.870831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.870831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.870831 (E_RNA)
where:
Base-Base interactions energy: -146.613
where: short stacking energy: -56.035
Base-Backbone interact. energy: -0.722
local terms energy: -65.535536
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -13.626
flat angles P-C4'-P energy: -11.505
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: 1
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -207.192611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.192611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.228888 (E_RNA)
where:
Base-Base interactions energy: -149.123
where: short stacking energy: -63.849
Base-Backbone interact. energy: 1.374
local terms energy: -59.480234
where:
bonds (distance) C4'-P energy: -9.659
bonds (distance) P-C4' energy: -11.436
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -16.391
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: 266
Temperature: 1.100000
Total energy: -208.901784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.901784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.978735 (E_RNA)
where:
Base-Base interactions energy: -153.151
where: short stacking energy: -64.627
Base-Backbone interact. energy: -0.004
local terms energy: -55.824199
where:
bonds (distance) C4'-P energy: -9.868
bonds (distance) P-C4' energy: -10.196
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -4.816
tors. eta vs tors. theta energy: -17.952
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: 7
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -214.060255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.060255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.073901 (E_RNA)
where:
Base-Base interactions energy: -145.184
where: short stacking energy: -62.115
Base-Backbone interact. energy: -0.575
local terms energy: -68.315196
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -16.184
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: 8
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -199.771689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.771689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.874408 (E_RNA)
where:
Base-Base interactions energy: -138.205
where: short stacking energy: -54.420
Base-Backbone interact. energy: -0.085
local terms energy: -61.584497
where:
bonds (distance) C4'-P energy: -9.789
bonds (distance) P-C4' energy: -12.784
flat angles C4'-P-C4' energy: -10.230
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -18.292
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: 8, replica: 2
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -196.813450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.813450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.823614 (E_RNA)
where:
Base-Base interactions energy: -136.797
where: short stacking energy: -55.698
Base-Backbone interact. energy: -0.136
local terms energy: -59.891494
where:
bonds (distance) C4'-P energy: -11.973
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -5.030
tors. eta vs tors. theta energy: -17.078
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: 266
Temperature: 1.300000
Total energy: -179.943485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.943485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.390599 (E_RNA)
where:
Base-Base interactions energy: -129.051
where: short stacking energy: -48.205
Base-Backbone interact. energy: -0.102
local terms energy: -57.237326
where:
bonds (distance) C4'-P energy: -9.478
bonds (distance) P-C4' energy: -12.569
flat angles C4'-P-C4' energy: -10.570
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -15.122
Dist. restrs. and SS energy: 6.447 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -177.102914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.102914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.325813 (E_RNA)
where:
Base-Base interactions energy: -129.894
where: short stacking energy: -56.168
Base-Backbone interact. energy: -0.122
local terms energy: -55.309799
where:
bonds (distance) C4'-P energy: -10.756
bonds (distance) P-C4' energy: -11.007
flat angles C4'-P-C4' energy: -10.697
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -15.083
Dist. restrs. and SS energy: 8.223 (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: 10
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -237.763044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.763044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.824898 (E_RNA)
where:
Base-Base interactions energy: -175.742
where: short stacking energy: -70.627
Base-Backbone interact. energy: -0.317
local terms energy: -61.766169
where:
bonds (distance) C4'-P energy: -11.371
bonds (distance) P-C4' energy: -15.175
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -6.171
tors. eta vs tors. theta energy: -15.574
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: 267
Temperature: 0.950000
Total energy: -238.798751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.798751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.899676 (E_RNA)
where:
Base-Base interactions energy: -174.831
where: short stacking energy: -72.135
Base-Backbone interact. energy: -0.065
local terms energy: -64.004145
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -3.123
tors. eta vs tors. theta energy: -18.960
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: 6
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -220.442435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.442435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.487718 (E_RNA)
where:
Base-Base interactions energy: -153.271
where: short stacking energy: -64.853
Base-Backbone interact. energy: -0.001
local terms energy: -67.216279
where:
bonds (distance) C4'-P energy: -13.455
bonds (distance) P-C4' energy: -14.443
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -15.369
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: 9
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -209.272733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.272733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.360215 (E_RNA)
where:
Base-Base interactions energy: -151.528
where: short stacking energy: -59.220
Base-Backbone interact. energy: -0.152
local terms energy: -57.680178
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -11.636
flat angles C4'-P-C4' energy: -9.305
flat angles P-C4'-P energy: -6.088
tors. eta vs tors. theta energy: -16.367
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: 267
Temperature: 1.100000
Total energy: -211.356568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.356568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.356568 (E_RNA)
where:
Base-Base interactions energy: -143.021
where: short stacking energy: -56.663
Base-Backbone interact. energy: -0.002
local terms energy: -68.334024
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -10.150
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -16.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -205.162658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.162658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.201151 (E_RNA)
where:
Base-Base interactions energy: -138.293
where: short stacking energy: -59.140
Base-Backbone interact. energy: -0.003
local terms energy: -66.905128
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -10.988
flat angles P-C4'-P energy: -10.022
tors. eta vs tors. theta energy: -16.677
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: 7
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -203.704877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.704877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.736552 (E_RNA)
where:
Base-Base interactions energy: -141.593
where: short stacking energy: -59.203
Base-Backbone interact. energy: -0.157
local terms energy: -61.985633
where:
bonds (distance) C4'-P energy: -8.831
bonds (distance) P-C4' energy: -13.588
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -18.277
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: 8, replica: 5
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -188.836464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.836464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.371397 (E_RNA)
where:
Base-Base interactions energy: -133.079
where: short stacking energy: -56.933
Base-Backbone interact. energy: -0.002
local terms energy: -63.289996
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -11.903
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -17.464
Dist. restrs. and SS energy: 7.535 (S_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: 267
Temperature: 1.300000
Total energy: -200.049828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.049828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.110387 (E_RNA)
where:
Base-Base interactions energy: -139.872
where: short stacking energy: -54.563
Base-Backbone interact. energy: -0.105
local terms energy: -60.133259
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -12.381
flat angles P-C4'-P energy: -7.340
tors. eta vs tors. theta energy: -14.141
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: 4
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -170.516323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.516323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.480984 (E_RNA)
where:
Base-Base interactions energy: -126.354
where: short stacking energy: -50.848
Base-Backbone interact. energy: -0.001
local terms energy: -53.126119
where:
bonds (distance) C4'-P energy: -11.130
bonds (distance) P-C4' energy: -9.922
flat angles C4'-P-C4' energy: -11.605
flat angles P-C4'-P energy: -5.943
tors. eta vs tors. theta energy: -14.527
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: 1, replica: 10
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -240.129975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.129975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.239938 (E_RNA)
where:
Base-Base interactions energy: -169.914
where: short stacking energy: -68.796
Base-Backbone interact. energy: -0.578
local terms energy: -69.747453
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -16.683
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: 2, replica: 3
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -214.612191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.612191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.680978 (E_RNA)
where:
Base-Base interactions energy: -153.978
where: short stacking energy: -61.823
Base-Backbone interact. energy: -0.012
local terms energy: -60.690422
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -4.919
tors. eta vs tors. theta energy: -14.700
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: 9
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -226.371771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.371771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.438648 (E_RNA)
where:
Base-Base interactions energy: -166.730
where: short stacking energy: -69.578
Base-Backbone interact. energy: -0.406
local terms energy: -59.302865
where:
bonds (distance) C4'-P energy: -11.650
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -3.757
tors. eta vs tors. theta energy: -18.457
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: 4, replica: 6
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -205.686827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.686827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.763856 (E_RNA)
where:
Base-Base interactions energy: -141.560
where: short stacking energy: -55.775
Base-Backbone interact. energy: -0.663
local terms energy: -63.540654
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -12.035
flat angles C4'-P-C4' energy: -12.079
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -15.564
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: 8
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -213.227098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.227098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.346606 (E_RNA)
where:
Base-Base interactions energy: -151.989
where: short stacking energy: -62.971
Base-Backbone interact. energy: 0.395
local terms energy: -61.751955
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -14.089
flat angles P-C4'-P energy: -6.615
tors. eta vs tors. theta energy: -15.489
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: 1
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -202.482447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.482447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.509467 (E_RNA)
where:
Base-Base interactions energy: -149.337
where: short stacking energy: -60.358
Base-Backbone interact. energy: -0.076
local terms energy: -53.096518
where:
bonds (distance) C4'-P energy: -8.671
bonds (distance) P-C4' energy: -8.994
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -8.801
tors. eta vs tors. theta energy: -13.453
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: 268
Temperature: 1.200000
Total energy: -204.103049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.103049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.360586 (E_RNA)
where:
Base-Base interactions energy: -143.372
where: short stacking energy: -56.155
Base-Backbone interact. energy: -0.091
local terms energy: -60.897862
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -9.953
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -13.477
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: 5
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -171.573788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.573788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.244655 (E_RNA)
where:
Base-Base interactions energy: -118.199
where: short stacking energy: -46.334
Base-Backbone interact. energy: -0.002
local terms energy: -63.043745
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -10.944
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -12.975
Dist. restrs. and SS energy: 9.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -183.777167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.777167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.659601 (E_RNA)
where:
Base-Base interactions energy: -126.979
where: short stacking energy: -57.030
Base-Backbone interact. energy: 0.237
local terms energy: -63.916817
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -9.939
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -17.004
Dist. restrs. and SS energy: 6.882 (S_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: 268
Temperature: 1.350000
Total energy: -189.261227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.261227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.293457 (E_RNA)
where:
Base-Base interactions energy: -137.480
where: short stacking energy: -51.905
Base-Backbone interact. energy: -0.083
local terms energy: -51.730099
where:
bonds (distance) C4'-P energy: -9.814
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -9.693
flat angles P-C4'-P energy: -6.070
tors. eta vs tors. theta energy: -12.970
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: 10
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -233.745349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.745349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.799517 (E_RNA)
where:
Base-Base interactions energy: -164.947
where: short stacking energy: -68.107
Base-Backbone interact. energy: -0.096
local terms energy: -68.756212
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -18.114
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: 9
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -231.424709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.424709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.470734 (E_RNA)
where:
Base-Base interactions energy: -168.023
where: short stacking energy: -64.147
Base-Backbone interact. energy: -0.135
local terms energy: -63.312554
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -12.914
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -5.105
tors. eta vs tors. theta energy: -19.221
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: 269
Temperature: 1.000000
Total energy: -231.636116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.636116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.691622 (E_RNA)
where:
Base-Base interactions energy: -166.386
where: short stacking energy: -63.930
Base-Backbone interact. energy: -0.243
local terms energy: -65.062494
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -12.645
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -6.315
tors. eta vs tors. theta energy: -17.323
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: 8
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -210.917080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.917080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.988981 (E_RNA)
where:
Base-Base interactions energy: -154.444
where: short stacking energy: -51.713
Base-Backbone interact. energy: -0.901
local terms energy: -55.643204
where:
bonds (distance) C4'-P energy: -9.594
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -7.103
tors. eta vs tors. theta energy: -13.164
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: 269
Temperature: 1.100000
Total energy: -211.672458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.672458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.809846 (E_RNA)
where:
Base-Base interactions energy: -148.961
where: short stacking energy: -64.707
Base-Backbone interact. energy: -0.001
local terms energy: -62.848278
where:
bonds (distance) C4'-P energy: -7.877
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -13.218
flat angles P-C4'-P energy: -7.984
tors. eta vs tors. theta energy: -19.176
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: 7
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -208.149403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.149403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.216445 (E_RNA)
where:
Base-Base interactions energy: -155.251
where: short stacking energy: -60.548
Base-Backbone interact. energy: -0.008
local terms energy: -52.956984
where:
bonds (distance) C4'-P energy: -10.455
bonds (distance) P-C4' energy: -11.591
flat angles C4'-P-C4' energy: -10.037
flat angles P-C4'-P energy: -4.429
tors. eta vs tors. theta energy: -16.445
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: 269
Temperature: 1.200000
Total energy: -201.560833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.560833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.563802 (E_RNA)
where:
Base-Base interactions energy: -148.211
where: short stacking energy: -60.383
Base-Backbone interact. energy: 0.479
local terms energy: -53.831600
where:
bonds (distance) C4'-P energy: -11.733
bonds (distance) P-C4' energy: -5.613
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -9.099
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: 8, replica: 5
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -194.257561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.257561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.597653 (E_RNA)
where:
Base-Base interactions energy: -135.983
where: short stacking energy: -56.426
Base-Backbone interact. energy: 0.547
local terms energy: -65.160780
where:
bonds (distance) C4'-P energy: -8.636
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -18.647
Dist. restrs. and SS energy: 6.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -177.440829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.440829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.700640 (E_RNA)
where:
Base-Base interactions energy: -125.758
where: short stacking energy: -52.814
Base-Backbone interact. energy: 0.132
local terms energy: -60.075084
where:
bonds (distance) C4'-P energy: -9.471
bonds (distance) P-C4' energy: -12.470
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -15.784
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: 10, replica: 2
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -188.513999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.513999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.550128 (E_RNA)
where:
Base-Base interactions energy: -133.092
where: short stacking energy: -49.794
Base-Backbone interact. energy: 0.496
local terms energy: -55.954022
where:
bonds (distance) C4'-P energy: -6.301
bonds (distance) P-C4' energy: -13.383
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -13.542
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: 9
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -234.753461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.753461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.795918 (E_RNA)
where:
Base-Base interactions energy: -169.370
where: short stacking energy: -66.320
Base-Backbone interact. energy: -0.653
local terms energy: -64.773005
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -10.819
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -6.652
tors. eta vs tors. theta energy: -19.386
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: 270
Temperature: 0.950000
Total energy: -231.586024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.586024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.598106 (E_RNA)
where:
Base-Base interactions energy: -167.421
where: short stacking energy: -63.553
Base-Backbone interact. energy: -0.003
local terms energy: -64.173673
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -14.622
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -7.225
tors. eta vs tors. theta energy: -14.524
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: 270
Temperature: 1.000000
Total energy: -229.936164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.936164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.028820 (E_RNA)
where:
Base-Base interactions energy: -172.196
where: short stacking energy: -71.966
Base-Backbone interact. energy: -0.018
local terms energy: -57.814683
where:
bonds (distance) C4'-P energy: -12.416
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -5.303
tors. eta vs tors. theta energy: -13.943
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: 8
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -210.519537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.519537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.549604 (E_RNA)
where:
Base-Base interactions energy: -144.375
where: short stacking energy: -59.710
Base-Backbone interact. energy: 0.137
local terms energy: -66.311905
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -10.781
tors. eta vs tors. theta energy: -16.893
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: 270
Temperature: 1.100000
Total energy: -216.121686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.121686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.260317 (E_RNA)
where:
Base-Base interactions energy: -148.306
where: short stacking energy: -65.438
Base-Backbone interact. energy: -0.055
local terms energy: -67.898881
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -10.061
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -19.628
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: 270
Temperature: 1.150000
Total energy: -209.753185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.753185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.803961 (E_RNA)
where:
Base-Base interactions energy: -144.413
where: short stacking energy: -59.708
Base-Backbone interact. energy: -0.060
local terms energy: -65.331224
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -13.372
flat angles C4'-P-C4' energy: -11.947
flat angles P-C4'-P energy: -7.604
tors. eta vs tors. theta energy: -19.017
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: 270
Temperature: 1.200000
Total energy: -205.114407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.114407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.150036 (E_RNA)
where:
Base-Base interactions energy: -147.235
where: short stacking energy: -54.781
Base-Backbone interact. energy: -0.197
local terms energy: -57.718761
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -5.421
tors. eta vs tors. theta energy: -14.946
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: 5
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -189.883284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.883284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.557706 (E_RNA)
where:
Base-Base interactions energy: -128.860
where: short stacking energy: -49.754
Base-Backbone interact. energy: -0.639
local terms energy: -68.058254
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -14.226
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: 9, replica: 2
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -199.655167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.655167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.894320 (E_RNA)
where:
Base-Base interactions energy: -143.175
where: short stacking energy: -61.689
Base-Backbone interact. energy: -0.003
local terms energy: -56.716239
where:
bonds (distance) C4'-P energy: -10.269
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -10.004
tors. eta vs tors. theta energy: -16.526
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: 10, replica: 4
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -177.261327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.261327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.716979 (E_RNA)
where:
Base-Base interactions energy: -120.605
where: short stacking energy: -55.973
Base-Backbone interact. energy: -0.021
local terms energy: -63.091295
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -10.602
tors. eta vs tors. theta energy: -12.277
Dist. restrs. and SS energy: 6.456 (S_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: 271
Temperature: 0.900000
Total energy: -236.047193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.047193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.181427 (E_RNA)
where:
Base-Base interactions energy: -171.262
where: short stacking energy: -70.416
Base-Backbone interact. energy: -0.033
local terms energy: -64.886788
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: -16.896
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: 10
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -238.127016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.127016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.230388 (E_RNA)
where:
Base-Base interactions energy: -170.734
where: short stacking energy: -70.119
Base-Backbone interact. energy: -0.269
local terms energy: -67.227271
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -17.130
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: 3
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -230.663601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.663601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.705284 (E_RNA)
where:
Base-Base interactions energy: -170.832
where: short stacking energy: -63.761
Base-Backbone interact. energy: -0.023
local terms energy: -59.850076
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -4.460
tors. eta vs tors. theta energy: -13.700
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: 271
Temperature: 1.050000
Total energy: -212.077850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.077850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.104251 (E_RNA)
where:
Base-Base interactions energy: -146.755
where: short stacking energy: -61.690
Base-Backbone interact. energy: -0.323
local terms energy: -65.025368
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -11.668
flat angles C4'-P-C4' energy: -11.909
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -19.126
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: 8
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -204.044904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.044904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.097596 (E_RNA)
where:
Base-Base interactions energy: -144.872
where: short stacking energy: -62.878
Base-Backbone interact. energy: -0.001
local terms energy: -59.225205
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -11.688
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -12.890
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: 6
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -208.996680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.996680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.057037 (E_RNA)
where:
Base-Base interactions energy: -143.524
where: short stacking energy: -58.733
Base-Backbone interact. energy: -0.215
local terms energy: -65.317384
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -11.392
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -11.078
tors. eta vs tors. theta energy: -14.654
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: 1
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -203.876627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.876627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.883352 (E_RNA)
where:
Base-Base interactions energy: -143.131
where: short stacking energy: -61.037
Base-Backbone interact. energy: -0.002
local terms energy: -60.749846
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -13.175
flat angles C4'-P-C4' energy: -13.304
flat angles P-C4'-P energy: -7.356
tors. eta vs tors. theta energy: -14.401
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: 2
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -194.787284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.787284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.061247 (E_RNA)
where:
Base-Base interactions energy: -139.408
where: short stacking energy: -62.269
Base-Backbone interact. energy: -0.020
local terms energy: -55.633380
where:
bonds (distance) C4'-P energy: -6.460
bonds (distance) P-C4' energy: -11.848
flat angles C4'-P-C4' energy: -11.002
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -16.585
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: 9, replica: 5
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -171.754870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.754870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.792601 (E_RNA)
where:
Base-Base interactions energy: -121.283
where: short stacking energy: -51.340
Base-Backbone interact. energy: -0.000
local terms energy: -57.509798
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -10.164
flat angles C4'-P-C4' energy: -11.451
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -13.730
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: 10, replica: 4
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -172.022618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.022618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.683151 (E_RNA)
where:
Base-Base interactions energy: -116.965
where: short stacking energy: -47.613
Base-Backbone interact. energy: -0.097
local terms energy: -62.621686
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -12.761
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -14.350
Dist. restrs. and SS energy: 7.661 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -240.086516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.086516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.134016 (E_RNA)
where:
Base-Base interactions energy: -171.086
where: short stacking energy: -69.069
Base-Backbone interact. energy: -0.251
local terms energy: -68.797233
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -6.525
tors. eta vs tors. theta energy: -18.231
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: 9
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -232.031096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.031096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.054536 (E_RNA)
where:
Base-Base interactions energy: -170.611
where: short stacking energy: -70.275
Base-Backbone interact. energy: -1.223
local terms energy: -60.220592
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -13.682
flat angles C4'-P-C4' energy: -10.717
flat angles P-C4'-P energy: -4.248
tors. eta vs tors. theta energy: -19.364
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: 272
Temperature: 1.000000
Total energy: -215.430400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.430400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.499346 (E_RNA)
where:
Base-Base interactions energy: -155.249
where: short stacking energy: -63.217
Base-Backbone interact. energy: -0.212
local terms energy: -60.038301
where:
bonds (distance) C4'-P energy: -7.746
bonds (distance) P-C4' energy: -14.469
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -7.142
tors. eta vs tors. theta energy: -17.852
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: 3
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -222.880075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.880075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.002993 (E_RNA)
where:
Base-Base interactions energy: -165.030
where: short stacking energy: -67.398
Base-Backbone interact. energy: -0.021
local terms energy: -57.951945
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -11.165
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -5.149
tors. eta vs tors. theta energy: -16.289
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: 5, replica: 6
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -205.394073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.394073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.394073 (E_RNA)
where:
Base-Base interactions energy: -149.237
where: short stacking energy: -61.925
Base-Backbone interact. energy: -0.030
local terms energy: -56.127485
where:
bonds (distance) C4'-P energy: -6.882
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -5.979
tors. eta vs tors. theta energy: -15.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -211.391814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.391814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.392794 (E_RNA)
where:
Base-Base interactions energy: -154.239
where: short stacking energy: -55.379
Base-Backbone interact. energy: -0.739
local terms energy: -56.415173
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -8.660
flat angles P-C4'-P energy: -4.714
tors. eta vs tors. theta energy: -16.077
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: 2
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -205.203415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.203415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.207715 (E_RNA)
where:
Base-Base interactions energy: -143.288
where: short stacking energy: -56.124
Base-Backbone interact. energy: -0.004
local terms energy: -61.915838
where:
bonds (distance) C4'-P energy: -9.755
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: -15.979
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: 8, replica: 1
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -210.956919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.956919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.010833 (E_RNA)
where:
Base-Base interactions energy: -148.644
where: short stacking energy: -62.573
Base-Backbone interact. energy: -0.001
local terms energy: -62.365346
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -11.017
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -13.125
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: 272
Temperature: 1.300000
Total energy: -184.803594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.803594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.473511 (E_RNA)
where:
Base-Base interactions energy: -131.906
where: short stacking energy: -51.787
Base-Backbone interact. energy: -1.518
local terms energy: -58.049693
where:
bonds (distance) C4'-P energy: -9.995
bonds (distance) P-C4' energy: -9.746
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -15.634
Dist. restrs. and SS energy: 6.670 (S_DIST_RNA)
chem. 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: -173.058512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.058512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.079302 (E_RNA)
where:
Base-Base interactions energy: -124.609
where: short stacking energy: -51.044
Base-Backbone interact. energy: -0.011
local terms energy: -55.459135
where:
bonds (distance) C4'-P energy: -7.946
bonds (distance) P-C4' energy: -12.643
flat angles C4'-P-C4' energy: -11.868
flat angles P-C4'-P energy: -5.663
tors. eta vs tors. theta energy: -17.338
Dist. restrs. and SS energy: 7.021 (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: 273
Temperature: 0.900000
Total energy: -241.198980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.198980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.293008 (E_RNA)
where:
Base-Base interactions energy: -176.880
where: short stacking energy: -75.078
Base-Backbone interact. energy: -0.005
local terms energy: -64.408313
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -5.148
tors. eta vs tors. theta energy: -17.812
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: 9
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -246.741394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.741394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.752631 (E_RNA)
where:
Base-Base interactions energy: -181.541
where: short stacking energy: -74.716
Base-Backbone interact. energy: -0.019
local terms energy: -65.192376
where:
bonds (distance) C4'-P energy: -12.486
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -5.787
tors. eta vs tors. theta energy: -17.401
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: 273
Temperature: 1.000000
Total energy: -230.477373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.477373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.528231 (E_RNA)
where:
Base-Base interactions energy: -168.310
where: short stacking energy: -67.263
Base-Backbone interact. energy: -0.127
local terms energy: -62.091398
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -4.009
tors. eta vs tors. theta energy: -17.426
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: 3
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -202.613435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.613435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.823547 (E_RNA)
where:
Base-Base interactions energy: -147.660
where: short stacking energy: -62.335
Base-Backbone interact. energy: -0.314
local terms energy: -54.849652
where:
bonds (distance) C4'-P energy: -10.004
bonds (distance) P-C4' energy: -9.828
flat angles C4'-P-C4' energy: -11.727
flat angles P-C4'-P energy: -7.975
tors. eta vs tors. theta energy: -15.316
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: 5, replica: 6
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -211.496308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.496308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.552800 (E_RNA)
where:
Base-Base interactions energy: -151.261
where: short stacking energy: -56.417
Base-Backbone interact. energy: -0.261
local terms energy: -60.030605
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -10.621
flat angles C4'-P-C4' energy: -12.236
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: -15.783
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: 273
Temperature: 1.150000
Total energy: -197.366980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.366980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.399979 (E_RNA)
where:
Base-Base interactions energy: -140.313
where: short stacking energy: -57.112
Base-Backbone interact. energy: 0.182
local terms energy: -57.269160
where:
bonds (distance) C4'-P energy: -9.183
bonds (distance) P-C4' energy: -11.899
flat angles C4'-P-C4' energy: -12.058
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -15.270
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: 7, replica: 8
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -202.041318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.041318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.042266 (E_RNA)
where:
Base-Base interactions energy: -146.499
where: short stacking energy: -59.569
Base-Backbone interact. energy: 1.648
local terms energy: -57.191126
where:
bonds (distance) C4'-P energy: -9.975
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -11.453
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -13.026
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: 8, replica: 1
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -195.268445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.268445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.337076 (E_RNA)
where:
Base-Base interactions energy: -134.658
where: short stacking energy: -54.893
Base-Backbone interact. energy: -0.502
local terms energy: -60.177154
where:
bonds (distance) C4'-P energy: -10.338
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -13.283
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: 273
Temperature: 1.300000
Total energy: -175.483006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.483006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.606345 (E_RNA)
where:
Base-Base interactions energy: -125.338
where: short stacking energy: -55.539
Base-Backbone interact. energy: -0.572
local terms energy: -57.696246
where:
bonds (distance) C4'-P energy: -9.524
bonds (distance) P-C4' energy: -10.629
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: -15.360
Dist. restrs. and SS energy: 8.123 (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: 5
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -175.604143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.604143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.620340 (E_RNA)
where:
Base-Base interactions energy: -128.738
where: short stacking energy: -54.632
Base-Backbone interact. energy: -0.462
local terms energy: -55.419703
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -12.331
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: -12.537
Dist. restrs. and SS energy: 9.016 (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: 9
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -237.152837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.152837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.188994 (E_RNA)
where:
Base-Base interactions energy: -175.394
where: short stacking energy: -73.178
Base-Backbone interact. energy: -0.001
local terms energy: -61.794069
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -3.381
tors. eta vs tors. theta energy: -18.045
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: 10
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -234.005538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.005538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.011267 (E_RNA)
where:
Base-Base interactions energy: -172.480
where: short stacking energy: -70.960
Base-Backbone interact. energy: -0.176
local terms energy: -61.355445
where:
bonds (distance) C4'-P energy: -10.483
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -7.902
tors. eta vs tors. theta energy: -18.141
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: 274
Temperature: 1.000000
Total energy: -209.625309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.625309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.629313 (E_RNA)
where:
Base-Base interactions energy: -146.944
where: short stacking energy: -52.596
Base-Backbone interact. energy: -1.366
local terms energy: -61.319300
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -10.861
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: 274
Temperature: 1.050000
Total energy: -228.175013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.175013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.218052 (E_RNA)
where:
Base-Base interactions energy: -164.302
where: short stacking energy: -68.688
Base-Backbone interact. energy: -0.001
local terms energy: -63.915624
where:
bonds (distance) C4'-P energy: -9.491
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -16.130
flat angles P-C4'-P energy: -5.406
tors. eta vs tors. theta energy: -17.660
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: 2
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -203.385366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.385366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.405136 (E_RNA)
where:
Base-Base interactions energy: -146.377
where: short stacking energy: -60.117
Base-Backbone interact. energy: -0.003
local terms energy: -57.025209
where:
bonds (distance) C4'-P energy: -10.562
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -10.841
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -13.593
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: 274
Temperature: 1.150000
Total energy: -205.787659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.787659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.991736 (E_RNA)
where:
Base-Base interactions energy: -156.220
where: short stacking energy: -61.738
Base-Backbone interact. energy: -0.395
local terms energy: -49.376986
where:
bonds (distance) C4'-P energy: -7.730
bonds (distance) P-C4' energy: -12.349
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -4.995
tors. eta vs tors. theta energy: -11.499
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: 1
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -203.959589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.959589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.159935 (E_RNA)
where:
Base-Base interactions energy: -142.547
where: short stacking energy: -61.154
Base-Backbone interact. energy: -0.042
local terms energy: -61.571255
where:
bonds (distance) C4'-P energy: -7.028
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -18.220
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: 8, replica: 8
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -195.812815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.812815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.965819 (E_RNA)
where:
Base-Base interactions energy: -133.990
where: short stacking energy: -51.985
Base-Backbone interact. energy: -0.070
local terms energy: -61.905687
where:
bonds (distance) C4'-P energy: -9.991
bonds (distance) P-C4' energy: -13.350
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -15.463
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: 274
Temperature: 1.300000
Total energy: -184.223713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.223713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.278476 (E_RNA)
where:
Base-Base interactions energy: -134.976
where: short stacking energy: -61.639
Base-Backbone interact. energy: -0.001
local terms energy: -56.301626
where:
bonds (distance) C4'-P energy: -8.491
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -10.926
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -15.454
Dist. restrs. and SS energy: 7.055 (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: 274
Temperature: 1.350000
Total energy: -175.735371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.735371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.537857 (E_RNA)
where:
Base-Base interactions energy: -129.801
where: short stacking energy: -55.301
Base-Backbone interact. energy: -0.211
local terms energy: -53.526212
where:
bonds (distance) C4'-P energy: -8.407
bonds (distance) P-C4' energy: -9.304
flat angles C4'-P-C4' energy: -11.085
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -14.441
Dist. restrs. and SS energy: 7.802 (S_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: 275
Temperature: 0.900000
Total energy: -237.515379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.515379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.525171 (E_RNA)
where:
Base-Base interactions energy: -172.323
where: short stacking energy: -70.284
Base-Backbone interact. energy: -0.503
local terms energy: -64.699299
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -3.559
tors. eta vs tors. theta energy: -17.155
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: 275
Temperature: 0.950000
Total energy: -228.033409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.033409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.221518 (E_RNA)
where:
Base-Base interactions energy: -164.237
where: short stacking energy: -63.567
Base-Backbone interact. energy: -0.505
local terms energy: -63.479695
where:
bonds (distance) C4'-P energy: -12.044
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -7.036
tors. eta vs tors. theta energy: -17.601
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: 3, replica: 3
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -225.755932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.755932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.772102 (E_RNA)
where:
Base-Base interactions energy: -162.829
where: short stacking energy: -67.161
Base-Backbone interact. energy: -0.047
local terms energy: -62.896966
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -11.921
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -17.075
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: 2
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -219.904084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.904084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.033672 (E_RNA)
where:
Base-Base interactions energy: -160.612
where: short stacking energy: -62.824
Base-Backbone interact. energy: -0.631
local terms energy: -58.791076
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -10.165
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -3.666
tors. eta vs tors. theta energy: -17.397
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: 5, replica: 7
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -222.536727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.536727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.561260 (E_RNA)
where:
Base-Base interactions energy: -163.926
where: short stacking energy: -65.604
Base-Backbone interact. energy: -0.464
local terms energy: -58.171999
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -14.171
flat angles C4'-P-C4' energy: -6.234
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -14.541
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: 275
Temperature: 1.150000
Total energy: -203.083985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.083985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.116004 (E_RNA)
where:
Base-Base interactions energy: -136.011
where: short stacking energy: -57.768
Base-Backbone interact. energy: -0.280
local terms energy: -66.824958
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -13.553
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -17.130
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: 7, replica: 6
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -201.400312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.400312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.483122 (E_RNA)
where:
Base-Base interactions energy: -136.785
where: short stacking energy: -54.021
Base-Backbone interact. energy: -0.045
local terms energy: -64.653266
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -15.338
flat angles C4'-P-C4' energy: -10.429
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -14.833
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: 275
Temperature: 1.250000
Total energy: -193.745682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.745682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.490105 (E_RNA)
where:
Base-Base interactions energy: -151.694
where: short stacking energy: -66.503
Base-Backbone interact. energy: -0.011
local terms energy: -49.785667
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -5.604
flat angles C4'-P-C4' energy: -10.890
flat angles P-C4'-P energy: -6.659
tors. eta vs tors. theta energy: -15.342
Dist. restrs. and SS energy: 7.744 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -195.932611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.932611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.954073 (E_RNA)
where:
Base-Base interactions energy: -137.604
where: short stacking energy: -55.096
Base-Backbone interact. energy: -0.280
local terms energy: -58.070123
where:
bonds (distance) C4'-P energy: -12.396
bonds (distance) P-C4' energy: -7.850
flat angles C4'-P-C4' energy: -12.073
flat angles P-C4'-P energy: -7.761
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: 10, replica: 4
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -172.990883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.990883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.680565 (E_RNA)
where:
Base-Base interactions energy: -121.201
where: short stacking energy: -51.835
Base-Backbone interact. energy: -0.051
local terms energy: -59.428262
where:
bonds (distance) C4'-P energy: -5.677
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -8.449
tors. eta vs tors. theta energy: -16.179
Dist. restrs. and SS energy: 7.690 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -236.209327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.209327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.242275 (E_RNA)
where:
Base-Base interactions energy: -170.024
where: short stacking energy: -72.724
Base-Backbone interact. energy: -0.782
local terms energy: -65.435960
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -5.061
tors. eta vs tors. theta energy: -18.206
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: 276
Temperature: 0.950000
Total energy: -224.951396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.951396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.020687 (E_RNA)
where:
Base-Base interactions energy: -160.832
where: short stacking energy: -65.277
Base-Backbone interact. energy: -0.582
local terms energy: -63.607495
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -5.258
tors. eta vs tors. theta energy: -18.760
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: 3
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -229.813213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.813213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.869372 (E_RNA)
where:
Base-Base interactions energy: -166.310
where: short stacking energy: -65.772
Base-Backbone interact. energy: -0.007
local terms energy: -63.552773
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -12.945
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -7.485
tors. eta vs tors. theta energy: -15.002
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: 276
Temperature: 1.050000
Total energy: -207.036783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.036783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.054725 (E_RNA)
where:
Base-Base interactions energy: -151.475
where: short stacking energy: -55.511
Base-Backbone interact. energy: -0.017
local terms energy: -55.562891
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -13.381
flat angles P-C4'-P energy: -5.714
tors. eta vs tors. theta energy: -11.232
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: 1
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -213.798637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.798637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.813444 (E_RNA)
where:
Base-Base interactions energy: -157.586
where: short stacking energy: -60.670
Base-Backbone interact. energy: -0.328
local terms energy: -55.899532
where:
bonds (distance) C4'-P energy: -9.643
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -11.580
flat angles P-C4'-P energy: -5.765
tors. eta vs tors. theta energy: -16.910
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: 7
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -222.497363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.497363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.574157 (E_RNA)
where:
Base-Base interactions energy: -162.896
where: short stacking energy: -62.765
Base-Backbone interact. energy: -0.126
local terms energy: -59.551987
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -12.690
flat angles C4'-P-C4' energy: -11.701
flat angles P-C4'-P energy: -3.986
tors. eta vs tors. theta energy: -15.888
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: 5
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -182.621660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.621660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.958478 (E_RNA)
where:
Base-Base interactions energy: -127.527
where: short stacking energy: -56.900
Base-Backbone interact. energy: -0.141
local terms energy: -61.290925
where:
bonds (distance) C4'-P energy: -11.225
bonds (distance) P-C4' energy: -11.436
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -8.452
tors. eta vs tors. theta energy: -16.063
Dist. restrs. and SS energy: 6.337 (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: 6
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -191.177809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.177809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.255326 (E_RNA)
where:
Base-Base interactions energy: -129.285
where: short stacking energy: -49.048
Base-Backbone interact. energy: -0.006
local terms energy: -61.964536
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -11.159
tors. eta vs tors. theta energy: -12.523
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: 276
Temperature: 1.300000
Total energy: -175.200923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.200923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.821777 (E_RNA)
where:
Base-Base interactions energy: -123.646
where: short stacking energy: -48.142
Base-Backbone interact. energy: -0.012
local terms energy: -62.163652
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -12.518
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -12.595
Dist. restrs. and SS energy: 10.621 (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: 8
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -190.105761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.105761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.111022 (E_RNA)
where:
Base-Base interactions energy: -129.203
where: short stacking energy: -52.865
Base-Backbone interact. energy: -0.014
local terms energy: -60.893548
where:
bonds (distance) C4'-P energy: -10.041
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -12.148
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -15.754
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: 1, replica: 10
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -225.249102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.249102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.249102 (E_RNA)
where:
Base-Base interactions energy: -169.182
where: short stacking energy: -66.405
Base-Backbone interact. energy: -0.463
local terms energy: -55.603693
where:
bonds (distance) C4'-P energy: -9.040
bonds (distance) P-C4' energy: -12.866
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -3.175
tors. eta vs tors. theta energy: -15.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -232.845745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.845745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.873580 (E_RNA)
where:
Base-Base interactions energy: -170.309
where: short stacking energy: -67.570
Base-Backbone interact. energy: -0.017
local terms energy: -62.547663
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -11.573
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -5.555
tors. eta vs tors. theta energy: -18.656
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: 277
Temperature: 1.000000
Total energy: -218.180751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.180751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.205029 (E_RNA)
where:
Base-Base interactions energy: -158.193
where: short stacking energy: -65.468
Base-Backbone interact. energy: -0.021
local terms energy: -59.991468
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -8.142
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -5.198
tors. eta vs tors. theta energy: -18.997
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: 1
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -225.861716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.861716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.906021 (E_RNA)
where:
Base-Base interactions energy: -175.108
where: short stacking energy: -69.344
Base-Backbone interact. energy: -0.005
local terms energy: -50.792306
where:
bonds (distance) C4'-P energy: -11.216
bonds (distance) P-C4' energy: -9.964
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -1.475
tors. eta vs tors. theta energy: -14.735
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: 2
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -212.147212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.147212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.162465 (E_RNA)
where:
Base-Base interactions energy: -151.046
where: short stacking energy: -65.484
Base-Backbone interact. energy: 0.498
local terms energy: -61.613875
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -11.940
flat angles C4'-P-C4' energy: -12.924
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: -16.017
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: 277
Temperature: 1.150000
Total energy: -189.266851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.266851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.060199 (E_RNA)
where:
Base-Base interactions energy: -137.102
where: short stacking energy: -59.770
Base-Backbone interact. energy: -0.063
local terms energy: -60.895294
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -12.725
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -12.935
Dist. restrs. and SS energy: 8.793 (S_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: 277
Temperature: 1.200000
Total energy: -199.442029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.442029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.449311 (E_RNA)
where:
Base-Base interactions energy: -151.038
where: short stacking energy: -56.931
Base-Backbone interact. energy: -0.310
local terms energy: -48.100828
where:
bonds (distance) C4'-P energy: -7.991
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -11.124
flat angles P-C4'-P energy: -4.500
tors. eta vs tors. theta energy: -8.974
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: 277
Temperature: 1.250000
Total energy: -209.013571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.013571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.013571 (E_RNA)
where:
Base-Base interactions energy: -147.394
where: short stacking energy: -60.984
Base-Backbone interact. energy: -0.043
local terms energy: -61.576317
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -12.048
flat angles C4'-P-C4' energy: -10.113
flat angles P-C4'-P energy: -11.320
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: 9, replica: 4
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -181.919374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.919374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.888911 (E_RNA)
where:
Base-Base interactions energy: -126.080
where: short stacking energy: -49.727
Base-Backbone interact. energy: -0.169
local terms energy: -63.640280
where:
bonds (distance) C4'-P energy: -12.044
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -13.440
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: 10, replica: 8
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -197.090045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.090045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.225096 (E_RNA)
where:
Base-Base interactions energy: -144.407
where: short stacking energy: -58.814
Base-Backbone interact. energy: -0.091
local terms energy: -52.726344
where:
bonds (distance) C4'-P energy: -10.294
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -9.688
flat angles P-C4'-P energy: -5.229
tors. eta vs tors. theta energy: -14.800
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: 1, replica: 3
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -233.690031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.690031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.733844 (E_RNA)
where:
Base-Base interactions energy: -172.912
where: short stacking energy: -68.665
Base-Backbone interact. energy: -0.002
local terms energy: -60.819835
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -3.067
tors. eta vs tors. theta energy: -17.771
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: 10
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -229.412022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.412022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.488171 (E_RNA)
where:
Base-Base interactions energy: -165.595
where: short stacking energy: -69.595
Base-Backbone interact. energy: -0.003
local terms energy: -63.890038
where:
bonds (distance) C4'-P energy: -12.441
bonds (distance) P-C4' energy: -12.924
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -4.599
tors. eta vs tors. theta energy: -19.304
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: 1
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -223.997873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.997873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.049195 (E_RNA)
where:
Base-Base interactions energy: -165.358
where: short stacking energy: -67.540
Base-Backbone interact. energy: -0.029
local terms energy: -58.662560
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -11.408
flat angles P-C4'-P energy: -2.704
tors. eta vs tors. theta energy: -18.862
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: 278
Temperature: 1.050000
Total energy: -214.847952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.847952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.859020 (E_RNA)
where:
Base-Base interactions energy: -147.397
where: short stacking energy: -65.203
Base-Backbone interact. energy: -0.000
local terms energy: -67.462042
where:
bonds (distance) C4'-P energy: -11.309
bonds (distance) P-C4' energy: -12.470
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -18.290
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: 278
Temperature: 1.100000
Total energy: -208.406696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.406696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.427691 (E_RNA)
where:
Base-Base interactions energy: -154.505
where: short stacking energy: -64.070
Base-Backbone interact. energy: -0.061
local terms energy: -53.862209
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -9.837
flat angles C4'-P-C4' energy: -10.865
flat angles P-C4'-P energy: -2.483
tors. eta vs tors. theta energy: -16.629
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: 278
Temperature: 1.150000
Total energy: -189.771379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.771379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.875894 (E_RNA)
where:
Base-Base interactions energy: -130.711
where: short stacking energy: -57.615
Base-Backbone interact. energy: -0.013
local terms energy: -66.151740
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -11.649
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -10.287
tors. eta vs tors. theta energy: -16.758
Dist. restrs. and SS energy: 7.105 (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: 6
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -202.933819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.933819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.008198 (E_RNA)
where:
Base-Base interactions energy: -141.792
where: short stacking energy: -53.438
Base-Backbone interact. energy: -0.165
local terms energy: -61.051216
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -13.396
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: 7
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -207.732969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.732969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.765100 (E_RNA)
where:
Base-Base interactions energy: -146.386
where: short stacking energy: -65.587
Base-Backbone interact. energy: -0.001
local terms energy: -61.377984
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -13.076
flat angles P-C4'-P energy: -7.093
tors. eta vs tors. theta energy: -13.928
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: 9, replica: 8
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -197.581382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.581382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.662047 (E_RNA)
where:
Base-Base interactions energy: -143.445
where: short stacking energy: -62.022
Base-Backbone interact. energy: -0.001
local terms energy: -54.216710
where:
bonds (distance) C4'-P energy: -10.600
bonds (distance) P-C4' energy: -8.686
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -8.280
tors. eta vs tors. theta energy: -13.256
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: 278
Temperature: 1.350000
Total energy: -172.488989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.488989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.105272 (E_RNA)
where:
Base-Base interactions energy: -121.990
where: short stacking energy: -54.595
Base-Backbone interact. energy: 0.178
local terms energy: -58.293150
where:
bonds (distance) C4'-P energy: -9.495
bonds (distance) P-C4' energy: -16.461
flat angles C4'-P-C4' energy: -10.587
flat angles P-C4'-P energy: -7.911
tors. eta vs tors. theta energy: -13.839
Dist. restrs. and SS energy: 7.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -229.357268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.357268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.544236 (E_RNA)
where:
Base-Base interactions energy: -167.415
where: short stacking energy: -72.036
Base-Backbone interact. energy: -0.275
local terms energy: -61.853993
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: -14.987
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: 2, replica: 10
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -232.779045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.779045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.789706 (E_RNA)
where:
Base-Base interactions energy: -170.303
where: short stacking energy: -68.090
Base-Backbone interact. energy: -0.003
local terms energy: -62.483131
where:
bonds (distance) C4'-P energy: -13.895
bonds (distance) P-C4' energy: -10.108
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -4.068
tors. eta vs tors. theta energy: -19.108
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: 279
Temperature: 1.000000
Total energy: -224.543976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.543976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.584226 (E_RNA)
where:
Base-Base interactions energy: -164.131
where: short stacking energy: -69.456
Base-Backbone interact. energy: -0.050
local terms energy: -60.403179
where:
bonds (distance) C4'-P energy: -11.534
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -10.168
flat angles P-C4'-P energy: -7.926
tors. eta vs tors. theta energy: -18.715
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: 279
Temperature: 1.050000
Total energy: -213.033876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.033876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.097309 (E_RNA)
where:
Base-Base interactions energy: -146.479
where: short stacking energy: -60.529
Base-Backbone interact. energy: -0.364
local terms energy: -66.253615
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -4.266
tors. eta vs tors. theta energy: -16.860
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: 9
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -209.031016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.031016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.328161 (E_RNA)
where:
Base-Base interactions energy: -145.562
where: short stacking energy: -63.757
Base-Backbone interact. energy: 0.315
local terms energy: -64.080899
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -11.993
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -16.105
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: 6, replica: 6
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -215.209686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.209686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.209686 (E_RNA)
where:
Base-Base interactions energy: -147.095
where: short stacking energy: -59.006
Base-Backbone interact. energy: -0.000
local terms energy: -68.114456
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: -15.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -191.021043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.021043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.287201 (E_RNA)
where:
Base-Base interactions energy: -136.603
where: short stacking energy: -61.750
Base-Backbone interact. energy: -0.020
local terms energy: -62.664780
where:
bonds (distance) C4'-P energy: -8.807
bonds (distance) P-C4' energy: -12.579
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -10.777
tors. eta vs tors. theta energy: -17.415
Dist. restrs. and SS energy: 8.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -201.645943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.645943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.645943 (E_RNA)
where:
Base-Base interactions energy: -141.605
where: short stacking energy: -55.720
Base-Backbone interact. energy: -0.024
local terms energy: -60.016087
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -11.495
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -6.933
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: 9, replica: 7
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -208.467882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.467882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.545431 (E_RNA)
where:
Base-Base interactions energy: -146.468
where: short stacking energy: -55.082
Base-Backbone interact. energy: -0.000
local terms energy: -62.077258
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -11.577
flat angles P-C4'-P energy: -8.043
tors. eta vs tors. theta energy: -16.438
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: 4
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -177.159458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.159458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.568104 (E_RNA)
where:
Base-Base interactions energy: -124.482
where: short stacking energy: -55.964
Base-Backbone interact. energy: -0.513
local terms energy: -58.572777
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -12.133
flat angles C4'-P-C4' energy: -11.502
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -12.446
Dist. restrs. and SS energy: 6.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -230.969681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.969681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.042451 (E_RNA)
where:
Base-Base interactions energy: -169.280
where: short stacking energy: -70.309
Base-Backbone interact. energy: -0.412
local terms energy: -61.350584
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -11.994
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -4.402
tors. eta vs tors. theta energy: -16.293
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: 3
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -223.194991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.194991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.316354 (E_RNA)
where:
Base-Base interactions energy: -165.201
where: short stacking energy: -65.170
Base-Backbone interact. energy: -0.017
local terms energy: -58.098422
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -5.065
tors. eta vs tors. theta energy: -13.427
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: 280
Temperature: 1.000000
Total energy: -221.398173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.398173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.680168 (E_RNA)
where:
Base-Base interactions energy: -159.870
where: short stacking energy: -64.092
Base-Backbone interact. energy: -0.029
local terms energy: -61.780359
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -8.711
flat angles P-C4'-P energy: -6.953
tors. eta vs tors. theta energy: -16.585
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: 4, replica: 1
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -226.506128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.506128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.506128 (E_RNA)
where:
Base-Base interactions energy: -162.587
where: short stacking energy: -66.900
Base-Backbone interact. energy: -0.002
local terms energy: -63.917326
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -12.520
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -16.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -207.815005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.815005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.828878 (E_RNA)
where:
Base-Base interactions energy: -147.242
where: short stacking energy: -59.724
Base-Backbone interact. energy: -0.751
local terms energy: -59.836335
where:
bonds (distance) C4'-P energy: -5.492
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -5.816
tors. eta vs tors. theta energy: -18.219
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: 9
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -209.158364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.158364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.158364 (E_RNA)
where:
Base-Base interactions energy: -143.661
where: short stacking energy: -58.592
Base-Backbone interact. energy: 0.172
local terms energy: -65.669045
where:
bonds (distance) C4'-P energy: -9.702
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -10.258
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -19.600
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -207.450929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.450929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.511491 (E_RNA)
where:
Base-Base interactions energy: -147.497
where: short stacking energy: -58.834
Base-Backbone interact. energy: -0.237
local terms energy: -59.776654
where:
bonds (distance) C4'-P energy: -10.600
bonds (distance) P-C4' energy: -12.056
flat angles C4'-P-C4' energy: -11.311
flat angles P-C4'-P energy: -9.789
tors. eta vs tors. theta energy: -16.021
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: 5
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -181.034301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.034301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.527269 (E_RNA)
where:
Base-Base interactions energy: -133.279
where: short stacking energy: -56.614
Base-Backbone interact. energy: -1.461
local terms energy: -54.786876
where:
bonds (distance) C4'-P energy: -12.015
bonds (distance) P-C4' energy: -11.092
flat angles C4'-P-C4' energy: -9.153
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -13.236
Dist. restrs. and SS energy: 8.493 (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: 7
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -192.746934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.746934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.849188 (E_RNA)
where:
Base-Base interactions energy: -143.755
where: short stacking energy: -56.061
Base-Backbone interact. energy: -0.032
local terms energy: -49.062296
where:
bonds (distance) C4'-P energy: -4.942
bonds (distance) P-C4' energy: -8.676
flat angles C4'-P-C4' energy: -12.498
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: -12.860
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: 10, replica: 4
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -180.257808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.257808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.986718 (E_RNA)
where:
Base-Base interactions energy: -127.218
where: short stacking energy: -57.732
Base-Backbone interact. energy: -0.002
local terms energy: -59.766406
where:
bonds (distance) C4'-P energy: -8.365
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -15.993
Dist. restrs. and SS energy: 6.729 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -239.882319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.882319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.882319 (E_RNA)
where:
Base-Base interactions energy: -178.106
where: short stacking energy: -73.763
Base-Backbone interact. energy: -0.088
local terms energy: -61.688113
where:
bonds (distance) C4'-P energy: -15.050
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -2.533
tors. eta vs tors. theta energy: -18.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -227.646915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.646915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.651852 (E_RNA)
where:
Base-Base interactions energy: -160.271
where: short stacking energy: -62.748
Base-Backbone interact. energy: -0.115
local terms energy: -67.265859
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -6.466
tors. eta vs tors. theta energy: -18.787
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: 3, replica: 3
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -221.281403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.281403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.323407 (E_RNA)
where:
Base-Base interactions energy: -164.099
where: short stacking energy: -63.165
Base-Backbone interact. energy: -0.063
local terms energy: -57.161176
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -10.924
flat angles C4'-P-C4' energy: -14.743
flat angles P-C4'-P energy: -3.034
tors. eta vs tors. theta energy: -14.871
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: 281
Temperature: 1.050000
Total energy: -209.084585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.084585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.127309 (E_RNA)
where:
Base-Base interactions energy: -150.666
where: short stacking energy: -57.521
Base-Backbone interact. energy: -0.050
local terms energy: -58.411410
where:
bonds (distance) C4'-P energy: -12.370
bonds (distance) P-C4' energy: -11.378
flat angles C4'-P-C4' energy: -11.685
flat angles P-C4'-P energy: -6.418
tors. eta vs tors. theta energy: -16.559
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: 1
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -208.944815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.944815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.984135 (E_RNA)
where:
Base-Base interactions energy: -145.128
where: short stacking energy: -51.392
Base-Backbone interact. energy: -0.302
local terms energy: -63.554702
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -14.432
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -7.698
tors. eta vs tors. theta energy: -13.152
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: 9
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -211.474847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.474847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.557890 (E_RNA)
where:
Base-Base interactions energy: -152.500
where: short stacking energy: -56.978
Base-Backbone interact. energy: -0.001
local terms energy: -59.057119
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -9.372
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -15.454
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: 281
Temperature: 1.200000
Total energy: -202.726425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.726425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.800330 (E_RNA)
where:
Base-Base interactions energy: -144.979
where: short stacking energy: -56.838
Base-Backbone interact. energy: -0.002
local terms energy: -57.818760
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -10.200
flat angles C4'-P-C4' energy: -11.389
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -14.834
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: 7
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -198.882212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.882212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.003068 (E_RNA)
where:
Base-Base interactions energy: -146.496
where: short stacking energy: -54.095
Base-Backbone interact. energy: -0.000
local terms energy: -52.506980
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -5.031
tors. eta vs tors. theta energy: -9.591
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: 9, replica: 5
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -174.893077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.893077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.004689 (E_RNA)
where:
Base-Base interactions energy: -121.891
where: short stacking energy: -54.576
Base-Backbone interact. energy: -0.399
local terms energy: -59.714934
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -9.964
flat angles C4'-P-C4' energy: -11.372
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -13.751
Dist. restrs. and SS energy: 7.112 (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: 281
Temperature: 1.350000
Total energy: -175.882435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.882435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.993940 (E_RNA)
where:
Base-Base interactions energy: -127.065
where: short stacking energy: -51.375
Base-Backbone interact. energy: -0.132
local terms energy: -56.796798
where:
bonds (distance) C4'-P energy: -7.760
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -13.749
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: 2
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -226.918832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.918832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.941871 (E_RNA)
where:
Base-Base interactions energy: -160.187
where: short stacking energy: -63.430
Base-Backbone interact. energy: -0.002
local terms energy: -66.753274
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -15.957
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -7.817
tors. eta vs tors. theta energy: -16.580
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: 282
Temperature: 0.950000
Total energy: -230.799760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.799760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.999635 (E_RNA)
where:
Base-Base interactions energy: -169.749
where: short stacking energy: -71.670
Base-Backbone interact. energy: -0.667
local terms energy: -60.583532
where:
bonds (distance) C4'-P energy: -10.148
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -12.301
flat angles P-C4'-P energy: -5.228
tors. eta vs tors. theta energy: -19.088
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: 3, replica: 3
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -229.943902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.943902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.012970 (E_RNA)
where:
Base-Base interactions energy: -168.982
where: short stacking energy: -69.735
Base-Backbone interact. energy: -0.015
local terms energy: -61.015454
where:
bonds (distance) C4'-P energy: -10.381
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -14.979
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: 6
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -220.992784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.992784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.060723 (E_RNA)
where:
Base-Base interactions energy: -160.098
where: short stacking energy: -64.437
Base-Backbone interact. energy: 0.271
local terms energy: -61.234263
where:
bonds (distance) C4'-P energy: -10.744
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -12.262
flat angles P-C4'-P energy: -6.721
tors. eta vs tors. theta energy: -17.729
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: 9
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -207.480190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.480190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.489048 (E_RNA)
where:
Base-Base interactions energy: -152.640
where: short stacking energy: -57.603
Base-Backbone interact. energy: 1.465
local terms energy: -56.313624
where:
bonds (distance) C4'-P energy: -8.409
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -8.986
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -13.129
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: 1
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -205.409709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.409709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.538947 (E_RNA)
where:
Base-Base interactions energy: -142.699
where: short stacking energy: -60.288
Base-Backbone interact. energy: -0.014
local terms energy: -62.826191
where:
bonds (distance) C4'-P energy: -9.129
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -15.170
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: 7
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -197.263970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.263970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.414255 (E_RNA)
where:
Base-Base interactions energy: -144.183
where: short stacking energy: -58.814
Base-Backbone interact. energy: -0.066
local terms energy: -53.165424
where:
bonds (distance) C4'-P energy: -8.679
bonds (distance) P-C4' energy: -10.612
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -9.093
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: 8, replica: 8
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -200.684817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.684817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.696858 (E_RNA)
where:
Base-Base interactions energy: -144.785
where: short stacking energy: -55.886
Base-Backbone interact. energy: -0.056
local terms energy: -55.855681
where:
bonds (distance) C4'-P energy: -11.802
bonds (distance) P-C4' energy: -10.003
flat angles C4'-P-C4' energy: -11.888
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -10.632
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: 282
Temperature: 1.300000
Total energy: -175.074984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.074984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.080556 (E_RNA)
where:
Base-Base interactions energy: -123.191
where: short stacking energy: -57.722
Base-Backbone interact. energy: -1.019
local terms energy: -59.870610
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -11.822
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -11.744
Dist. restrs. and SS energy: 9.006 (S_DIST_RNA)
chem. 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: -169.332120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.332120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.286999 (E_RNA)
where:
Base-Base interactions energy: -121.277
where: short stacking energy: -53.464
Base-Backbone interact. energy: -0.539
local terms energy: -55.471138
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -9.597
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -6.003
tors. eta vs tors. theta energy: -11.790
Dist. restrs. and SS energy: 7.955 (S_DIST_RNA)
chem. 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: -225.798528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.798528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.879068 (E_RNA)
where:
Base-Base interactions energy: -161.934
where: short stacking energy: -69.299
Base-Backbone interact. energy: -0.002
local terms energy: -63.943114
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -13.978
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -7.851
tors. eta vs tors. theta energy: -16.762
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: 3
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -230.504822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.504822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.635442 (E_RNA)
where:
Base-Base interactions energy: -169.177
where: short stacking energy: -70.631
Base-Backbone interact. energy: -0.012
local terms energy: -61.446973
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: -16.468
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: 10
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -229.818470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.818470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.823176 (E_RNA)
where:
Base-Base interactions energy: -171.036
where: short stacking energy: -70.298
Base-Backbone interact. energy: -0.046
local terms energy: -58.740423
where:
bonds (distance) C4'-P energy: -10.985
bonds (distance) P-C4' energy: -13.159
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -4.961
tors. eta vs tors. theta energy: -16.642
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: 9
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -212.035112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.035112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.055770 (E_RNA)
where:
Base-Base interactions energy: -144.195
where: short stacking energy: -58.764
Base-Backbone interact. energy: 1.349
local terms energy: -69.209549
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -11.564
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -18.323
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: 283
Temperature: 1.100000
Total energy: -206.138869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.138869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.165204 (E_RNA)
where:
Base-Base interactions energy: -143.286
where: short stacking energy: -60.912
Base-Backbone interact. energy: -0.002
local terms energy: -62.876658
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -10.560
flat angles P-C4'-P energy: -7.245
tors. eta vs tors. theta energy: -18.808
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: 1
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -210.328708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.328708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.486842 (E_RNA)
where:
Base-Base interactions energy: -148.452
where: short stacking energy: -60.355
Base-Backbone interact. energy: -0.212
local terms energy: -61.822175
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -11.851
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -17.772
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: 7, replica: 7
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -205.214838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.214838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.214838 (E_RNA)
where:
Base-Base interactions energy: -142.645
where: short stacking energy: -58.259
Base-Backbone interact. energy: 1.688
local terms energy: -64.257152
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -11.734
flat angles C4'-P-C4' energy: -11.038
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -18.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -196.184612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.184612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.184612 (E_RNA)
where:
Base-Base interactions energy: -138.165
where: short stacking energy: -54.020
Base-Backbone interact. energy: -0.027
local terms energy: -57.993403
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -10.557
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: -14.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -177.754732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.754732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.212244 (E_RNA)
where:
Base-Base interactions energy: -128.484
where: short stacking energy: -49.855
Base-Backbone interact. energy: -0.013
local terms energy: -57.715660
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -5.491
tors. eta vs tors. theta energy: -12.967
Dist. restrs. and SS energy: 8.458 (S_DIST_RNA)
chem. 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: -167.391238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.391238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.101279 (E_RNA)
where:
Base-Base interactions energy: -122.756
where: short stacking energy: -55.423
Base-Backbone interact. energy: -0.072
local terms energy: -51.273360
where:
bonds (distance) C4'-P energy: -9.508
bonds (distance) P-C4' energy: -9.512
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -3.819
tors. eta vs tors. theta energy: -16.351
Dist. restrs. and SS energy: 6.710 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -231.339705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.339705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.351634 (E_RNA)
where:
Base-Base interactions energy: -170.968
where: short stacking energy: -68.778
Base-Backbone interact. energy: -0.035
local terms energy: -60.348453
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -16.388
flat angles P-C4'-P energy: -2.361
tors. eta vs tors. theta energy: -16.520
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: 284
Temperature: 0.950000
Total energy: -215.167562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.167562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.327324 (E_RNA)
where:
Base-Base interactions energy: -153.698
where: short stacking energy: -59.421
Base-Backbone interact. energy: -1.212
local terms energy: -60.417849
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -11.126
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -12.855
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: 3, replica: 9
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -212.592011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.592011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.646808 (E_RNA)
where:
Base-Base interactions energy: -146.999
where: short stacking energy: -60.333
Base-Backbone interact. energy: -0.001
local terms energy: -65.646896
where:
bonds (distance) C4'-P energy: -9.532
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -13.054
tors. eta vs tors. theta energy: -15.963
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: 10
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -226.462685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.462685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.608403 (E_RNA)
where:
Base-Base interactions energy: -169.045
where: short stacking energy: -67.869
Base-Backbone interact. energy: -0.009
local terms energy: -57.554952
where:
bonds (distance) C4'-P energy: -8.815
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -4.764
tors. eta vs tors. theta energy: -17.236
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: 284
Temperature: 1.100000
Total energy: -219.573578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.573578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.598159 (E_RNA)
where:
Base-Base interactions energy: -158.626
where: short stacking energy: -65.809
Base-Backbone interact. energy: -0.006
local terms energy: -60.966108
where:
bonds (distance) C4'-P energy: -11.585
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -12.165
flat angles P-C4'-P energy: -5.728
tors. eta vs tors. theta energy: -16.655
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: 6
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -204.258858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.258858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.334357 (E_RNA)
where:
Base-Base interactions energy: -147.237
where: short stacking energy: -63.978
Base-Backbone interact. energy: -0.000
local terms energy: -57.097013
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -8.753
flat angles P-C4'-P energy: -3.933
tors. eta vs tors. theta energy: -18.352
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: 8
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -198.756302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.756302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.873386 (E_RNA)
where:
Base-Base interactions energy: -140.404
where: short stacking energy: -53.955
Base-Backbone interact. energy: 2.042
local terms energy: -60.512155
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -9.238
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -14.916
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: 8, replica: 7
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -200.685764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.685764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.103827 (E_RNA)
where:
Base-Base interactions energy: -136.573
where: short stacking energy: -55.345
Base-Backbone interact. energy: -0.004
local terms energy: -64.526422
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -11.443
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -15.300
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: 9, replica: 4
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -186.024238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.024238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.996543 (E_RNA)
where:
Base-Base interactions energy: -137.093
where: short stacking energy: -56.687
Base-Backbone interact. energy: -0.088
local terms energy: -57.816423
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -10.450
flat angles P-C4'-P energy: -6.117
tors. eta vs tors. theta energy: -13.864
Dist. restrs. and SS energy: 8.972 (S_DIST_RNA)
chem. 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: -173.364967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.364967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.055529 (E_RNA)
where:
Base-Base interactions energy: -125.674
where: short stacking energy: -53.389
Base-Backbone interact. energy: -0.089
local terms energy: -54.292658
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: 0.636
tors. eta vs tors. theta energy: -16.458
Dist. restrs. and SS energy: 6.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -231.185472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.185472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.189902 (E_RNA)
where:
Base-Base interactions energy: -170.445
where: short stacking energy: -68.995
Base-Backbone interact. energy: -0.363
local terms energy: -60.382622
where:
bonds (distance) C4'-P energy: -12.586
bonds (distance) P-C4' energy: -11.752
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -5.248
tors. eta vs tors. theta energy: -18.160
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: 285
Temperature: 0.950000
Total energy: -212.009804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.009804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.098026 (E_RNA)
where:
Base-Base interactions energy: -147.230
where: short stacking energy: -53.797
Base-Backbone interact. energy: 0.428
local terms energy: -65.296549
where:
bonds (distance) C4'-P energy: -11.911
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -13.085
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: 3, replica: 2
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -224.642519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.642519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.658148 (E_RNA)
where:
Base-Base interactions energy: -166.912
where: short stacking energy: -71.824
Base-Backbone interact. energy: -0.006
local terms energy: -57.740419
where:
bonds (distance) C4'-P energy: -9.387
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -5.119
tors. eta vs tors. theta energy: -16.667
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: 285
Temperature: 1.050000
Total energy: -218.436076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.436076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.484180 (E_RNA)
where:
Base-Base interactions energy: -162.820
where: short stacking energy: -63.504
Base-Backbone interact. energy: -0.002
local terms energy: -55.662673
where:
bonds (distance) C4'-P energy: -10.984
bonds (distance) P-C4' energy: -11.802
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -4.168
tors. eta vs tors. theta energy: -13.996
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: 1
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -214.042733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.042733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.054615 (E_RNA)
where:
Base-Base interactions energy: -145.208
where: short stacking energy: -56.105
Base-Backbone interact. energy: -0.007
local terms energy: -68.838810
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -16.836
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: 8
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -211.624002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.624002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.625753 (E_RNA)
where:
Base-Base interactions energy: -160.603
where: short stacking energy: -64.297
Base-Backbone interact. energy: -0.005
local terms energy: -51.017154
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -7.995
flat angles C4'-P-C4' energy: -12.015
flat angles P-C4'-P energy: -3.804
tors. eta vs tors. theta energy: -14.785
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: 6
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -204.566035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.566035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.652904 (E_RNA)
where:
Base-Base interactions energy: -144.049
where: short stacking energy: -53.289
Base-Backbone interact. energy: 0.093
local terms energy: -60.697435
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -9.486
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -16.625
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: 8, replica: 4
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -178.217778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.217778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.638848 (E_RNA)
where:
Base-Base interactions energy: -133.406
where: short stacking energy: -61.390
Base-Backbone interact. energy: -0.006
local terms energy: -53.226436
where:
bonds (distance) C4'-P energy: -7.827
bonds (distance) P-C4' energy: -12.843
flat angles C4'-P-C4' energy: -10.002
flat angles P-C4'-P energy: -7.522
tors. eta vs tors. theta energy: -15.033
Dist. restrs. and SS energy: 8.421 (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: 7
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -200.324826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.324826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.335055 (E_RNA)
where:
Base-Base interactions energy: -138.007
where: short stacking energy: -52.513
Base-Backbone interact. energy: -0.000
local terms energy: -62.328210
where:
bonds (distance) C4'-P energy: -11.622
bonds (distance) P-C4' energy: -9.688
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -16.526
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: 5
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -171.870177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.870177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.447150 (E_RNA)
where:
Base-Base interactions energy: -115.922
where: short stacking energy: -45.228
Base-Backbone interact. energy: 0.907
local terms energy: -64.431451
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -12.561
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: 1, replica: 3
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -232.952287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.952287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.978886 (E_RNA)
where:
Base-Base interactions energy: -165.097
where: short stacking energy: -66.430
Base-Backbone interact. energy: -0.005
local terms energy: -67.877635
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -7.293
tors. eta vs tors. theta energy: -17.185
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: 9
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -222.308461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.308461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.467740 (E_RNA)
where:
Base-Base interactions energy: -158.231
where: short stacking energy: -67.396
Base-Backbone interact. energy: -0.124
local terms energy: -64.112823
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -18.021
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: 3, replica: 10
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -214.890286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.890286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.996531 (E_RNA)
where:
Base-Base interactions energy: -144.270
where: short stacking energy: -60.097
Base-Backbone interact. energy: -0.032
local terms energy: -70.693678
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -16.625
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: 2
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -221.599839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.599839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.798816 (E_RNA)
where:
Base-Base interactions energy: -167.974
where: short stacking energy: -69.139
Base-Backbone interact. energy: -0.001
local terms energy: -53.823138
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -9.518
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -1.539
tors. eta vs tors. theta energy: -15.946
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: 8
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -210.625426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.625426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.661130 (E_RNA)
where:
Base-Base interactions energy: -158.038
where: short stacking energy: -61.656
Base-Backbone interact. energy: -0.291
local terms energy: -52.332189
where:
bonds (distance) C4'-P energy: -9.491
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -11.704
flat angles P-C4'-P energy: -2.843
tors. eta vs tors. theta energy: -15.601
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: 1
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -204.793496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.793496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.944976 (E_RNA)
where:
Base-Base interactions energy: -139.709
where: short stacking energy: -60.294
Base-Backbone interact. energy: -0.224
local terms energy: -65.012327
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -13.700
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: 7, replica: 6
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -207.883495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.883495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.051332 (E_RNA)
where:
Base-Base interactions energy: -144.631
where: short stacking energy: -58.239
Base-Backbone interact. energy: -0.020
local terms energy: -63.400407
where:
bonds (distance) C4'-P energy: -10.736
bonds (distance) P-C4' energy: -13.074
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -15.402
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: 8, replica: 4
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -181.142492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.142492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.932809 (E_RNA)
where:
Base-Base interactions energy: -129.035
where: short stacking energy: -55.355
Base-Backbone interact. energy: -0.305
local terms energy: -59.593407
where:
bonds (distance) C4'-P energy: -7.446
bonds (distance) P-C4' energy: -12.869
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -16.340
Dist. restrs. and SS energy: 7.790 (S_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: 286
Temperature: 1.300000
Total energy: -197.183209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.183209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.295974 (E_RNA)
where:
Base-Base interactions energy: -138.140
where: short stacking energy: -48.364
Base-Backbone interact. energy: -0.038
local terms energy: -59.117612
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -6.389
flat angles C4'-P-C4' energy: -12.999
flat angles P-C4'-P energy: -8.213
tors. eta vs tors. theta energy: -16.843
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: 10, replica: 5
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -171.812152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.812152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.411950 (E_RNA)
where:
Base-Base interactions energy: -123.080
where: short stacking energy: -54.732
Base-Backbone interact. energy: -0.290
local terms energy: -56.042262
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -10.004
flat angles C4'-P-C4' energy: -10.422
flat angles P-C4'-P energy: -5.158
tors. eta vs tors. theta energy: -17.602
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: 1, replica: 3
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -214.933018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.933018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.009494 (E_RNA)
where:
Base-Base interactions energy: -152.190
where: short stacking energy: -64.030
Base-Backbone interact. energy: -0.002
local terms energy: -62.817480
where:
bonds (distance) C4'-P energy: -11.094
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -7.142
tors. eta vs tors. theta energy: -17.479
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: 9
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -222.984509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.984509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.011593 (E_RNA)
where:
Base-Base interactions energy: -166.313
where: short stacking energy: -69.036
Base-Backbone interact. energy: -0.003
local terms energy: -56.695436
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -10.649
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -3.289
tors. eta vs tors. theta energy: -16.104
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: 287
Temperature: 1.000000
Total energy: -213.717454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.717454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.734064 (E_RNA)
where:
Base-Base interactions energy: -150.175
where: short stacking energy: -63.220
Base-Backbone interact. energy: -0.258
local terms energy: -63.300446
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -10.678
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -6.230
tors. eta vs tors. theta energy: -17.588
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: 287
Temperature: 1.050000
Total energy: -211.324708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.324708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.485537 (E_RNA)
where:
Base-Base interactions energy: -144.102
where: short stacking energy: -61.714
Base-Backbone interact. energy: -0.009
local terms energy: -67.374383
where:
bonds (distance) C4'-P energy: -10.732
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -16.884
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: 2
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -207.086061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.086061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.215803 (E_RNA)
where:
Base-Base interactions energy: -146.185
where: short stacking energy: -62.529
Base-Backbone interact. energy: -0.001
local terms energy: -61.030206
where:
bonds (distance) C4'-P energy: -8.919
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -9.609
tors. eta vs tors. theta energy: -14.793
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: 6, replica: 6
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -198.134919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.134919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.250252 (E_RNA)
where:
Base-Base interactions energy: -136.114
where: short stacking energy: -55.545
Base-Backbone interact. energy: -0.404
local terms energy: -61.731497
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -13.409
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: 1
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -197.049453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.049453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.081122 (E_RNA)
where:
Base-Base interactions energy: -136.359
where: short stacking energy: -53.879
Base-Backbone interact. energy: -0.013
local terms energy: -60.709018
where:
bonds (distance) C4'-P energy: -9.829
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -12.201
flat angles P-C4'-P energy: -10.064
tors. eta vs tors. theta energy: -13.757
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: 8, replica: 7
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -195.905812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.905812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.003684 (E_RNA)
where:
Base-Base interactions energy: -145.261
where: short stacking energy: -57.563
Base-Backbone interact. energy: -0.049
local terms energy: -50.693782
where:
bonds (distance) C4'-P energy: -6.629
bonds (distance) P-C4' energy: -11.658
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -2.934
tors. eta vs tors. theta energy: -14.420
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: 287
Temperature: 1.300000
Total energy: -182.785884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.785884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.912735 (E_RNA)
where:
Base-Base interactions energy: -134.679
where: short stacking energy: -50.092
Base-Backbone interact. energy: -0.662
local terms energy: -54.571714
where:
bonds (distance) C4'-P energy: -8.902
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -11.394
flat angles P-C4'-P energy: -6.276
tors. eta vs tors. theta energy: -12.884
Dist. restrs. and SS energy: 7.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -165.375515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.375515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.368585 (E_RNA)
where:
Base-Base interactions energy: -120.302
where: short stacking energy: -50.454
Base-Backbone interact. energy: -0.377
local terms energy: -51.689735
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -8.876
flat angles C4'-P-C4' energy: -12.445
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -9.675
Dist. restrs. and SS energy: 6.993 (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: 3
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -227.717172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.717172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.717172 (E_RNA)
where:
Base-Base interactions energy: -159.022
where: short stacking energy: -64.196
Base-Backbone interact. energy: -0.057
local terms energy: -68.638024
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -15.430
flat angles P-C4'-P energy: -5.385
tors. eta vs tors. theta energy: -18.943
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -226.958988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.958988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.958988 (E_RNA)
where:
Base-Base interactions energy: -162.469
where: short stacking energy: -64.373
Base-Backbone interact. energy: -0.184
local terms energy: -64.306381
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -7.876
tors. eta vs tors. theta energy: -15.024
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -218.474039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.474039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.548632 (E_RNA)
where:
Base-Base interactions energy: -150.907
where: short stacking energy: -67.733
Base-Backbone interact. energy: -0.006
local terms energy: -67.635071
where:
bonds (distance) C4'-P energy: -14.407
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -11.451
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -17.661
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: 10
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -210.995752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.995752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.012910 (E_RNA)
where:
Base-Base interactions energy: -144.016
where: short stacking energy: -58.231
Base-Backbone interact. energy: -0.011
local terms energy: -66.985510
where:
bonds (distance) C4'-P energy: -10.981
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -12.819
tors. eta vs tors. theta energy: -15.438
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: 288
Temperature: 1.100000
Total energy: -207.038801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.038801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.119563 (E_RNA)
where:
Base-Base interactions energy: -145.372
where: short stacking energy: -58.930
Base-Backbone interact. energy: -0.121
local terms energy: -61.627062
where:
bonds (distance) C4'-P energy: -9.606
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -10.829
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -17.578
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: 2
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -199.554709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.554709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.673024 (E_RNA)
where:
Base-Base interactions energy: -142.873
where: short stacking energy: -59.696
Base-Backbone interact. energy: -0.003
local terms energy: -56.797056
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -7.593
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: -12.340
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: 7
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -196.666366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.666366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.707440 (E_RNA)
where:
Base-Base interactions energy: -135.699
where: short stacking energy: -53.150
Base-Backbone interact. energy: -0.013
local terms energy: -60.995996
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -10.877
flat angles C4'-P-C4' energy: -9.998
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -16.333
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: 1
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -197.993947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.993947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.028572 (E_RNA)
where:
Base-Base interactions energy: -146.819
where: short stacking energy: -55.782
Base-Backbone interact. energy: -0.026
local terms energy: -51.183027
where:
bonds (distance) C4'-P energy: -10.575
bonds (distance) P-C4' energy: -10.676
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -6.984
tors. eta vs tors. theta energy: -10.480
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: 288
Temperature: 1.300000
Total energy: -180.347222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.347222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.100161 (E_RNA)
where:
Base-Base interactions energy: -131.225
where: short stacking energy: -53.627
Base-Backbone interact. energy: -0.035
local terms energy: -56.840951
where:
bonds (distance) C4'-P energy: -8.475
bonds (distance) P-C4' energy: -11.462
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -5.976
tors. eta vs tors. theta energy: -15.970
Dist. restrs. and SS energy: 7.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -175.687904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.687904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.399786 (E_RNA)
where:
Base-Base interactions energy: -134.597
where: short stacking energy: -57.621
Base-Backbone interact. energy: -0.271
local terms energy: -49.532254
where:
bonds (distance) C4'-P energy: -3.508
bonds (distance) P-C4' energy: -7.670
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -15.290
Dist. restrs. and SS energy: 8.712 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -221.580919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.580919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.636746 (E_RNA)
where:
Base-Base interactions energy: -155.944
where: short stacking energy: -65.709
Base-Backbone interact. energy: -0.097
local terms energy: -65.594907
where:
bonds (distance) C4'-P energy: -12.884
bonds (distance) P-C4' energy: -11.017
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -16.156
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: 8
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -226.017787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.017787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.032950 (E_RNA)
where:
Base-Base interactions energy: -161.660
where: short stacking energy: -63.885
Base-Backbone interact. energy: -0.165
local terms energy: -64.207927
where:
bonds (distance) C4'-P energy: -12.677
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -4.857
tors. eta vs tors. theta energy: -18.282
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: 289
Temperature: 1.000000
Total energy: -222.339268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.339268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.343956 (E_RNA)
where:
Base-Base interactions energy: -159.381
where: short stacking energy: -65.005
Base-Backbone interact. energy: -0.041
local terms energy: -62.921967
where:
bonds (distance) C4'-P energy: -14.014
bonds (distance) P-C4' energy: -12.522
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -13.890
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: 289
Temperature: 1.050000
Total energy: -205.811437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.811437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.844909 (E_RNA)
where:
Base-Base interactions energy: -148.109
where: short stacking energy: -59.195
Base-Backbone interact. energy: -0.023
local terms energy: -57.713252
where:
bonds (distance) C4'-P energy: -9.785
bonds (distance) P-C4' energy: -13.220
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -6.095
tors. eta vs tors. theta energy: -14.774
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: 10
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -206.540946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.540946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.559063 (E_RNA)
where:
Base-Base interactions energy: -147.169
where: short stacking energy: -61.586
Base-Backbone interact. energy: -0.008
local terms energy: -59.382474
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -10.437
flat angles P-C4'-P energy: -6.348
tors. eta vs tors. theta energy: -15.889
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: 7
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -201.557901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.557901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.095180 (E_RNA)
where:
Base-Base interactions energy: -153.325
where: short stacking energy: -60.065
Base-Backbone interact. energy: -0.001
local terms energy: -48.768517
where:
bonds (distance) C4'-P energy: -8.949
bonds (distance) P-C4' energy: -11.709
flat angles C4'-P-C4' energy: -12.356
flat angles P-C4'-P energy: -2.625
tors. eta vs tors. theta energy: -13.130
Dist. restrs. and SS energy: 0.537 (S_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: 289
Temperature: 1.200000
Total energy: -197.732920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.732920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.802490 (E_RNA)
where:
Base-Base interactions energy: -141.524
where: short stacking energy: -57.191
Base-Backbone interact. energy: -0.458
local terms energy: -55.820078
where:
bonds (distance) C4'-P energy: -8.936
bonds (distance) P-C4' energy: -11.924
flat angles C4'-P-C4' energy: -10.622
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -14.810
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: 8, replica: 1
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -198.428542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.428542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.465308 (E_RNA)
where:
Base-Base interactions energy: -137.521
where: short stacking energy: -52.100
Base-Backbone interact. energy: -0.184
local terms energy: -60.761071
where:
bonds (distance) C4'-P energy: -9.296
bonds (distance) P-C4' energy: -11.581
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -11.218
tors. eta vs tors. theta energy: -14.453
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: 289
Temperature: 1.300000
Total energy: -175.765596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.765596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.053359 (E_RNA)
where:
Base-Base interactions energy: -126.116
where: short stacking energy: -51.818
Base-Backbone interact. energy: 0.452
local terms energy: -57.389319
where:
bonds (distance) C4'-P energy: -8.757
bonds (distance) P-C4' energy: -11.479
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -8.738
tors. eta vs tors. theta energy: -14.381
Dist. restrs. and SS energy: 7.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -176.206026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.206026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.996674 (E_RNA)
where:
Base-Base interactions energy: -126.486
where: short stacking energy: -54.657
Base-Backbone interact. energy: -0.552
local terms energy: -56.958122
where:
bonds (distance) C4'-P energy: -12.114
bonds (distance) P-C4' energy: -10.763
flat angles C4'-P-C4' energy: -12.118
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -12.185
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: 1, replica: 8
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -240.778289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.778289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.831680 (E_RNA)
where:
Base-Base interactions energy: -174.216
where: short stacking energy: -70.900
Base-Backbone interact. energy: -0.011
local terms energy: -66.604765
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -12.437
flat angles P-C4'-P energy: -5.395
tors. eta vs tors. theta energy: -18.574
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: 290
Temperature: 0.950000
Total energy: -227.887564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.887564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.887564 (E_RNA)
where:
Base-Base interactions energy: -167.741
where: short stacking energy: -69.200
Base-Backbone interact. energy: -0.548
local terms energy: -59.598126
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -12.650
flat angles C4'-P-C4' energy: -11.250
flat angles P-C4'-P energy: -5.334
tors. eta vs tors. theta energy: -17.329
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -224.531867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.531867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.558212 (E_RNA)
where:
Base-Base interactions energy: -162.878
where: short stacking energy: -60.012
Base-Backbone interact. energy: -0.064
local terms energy: -61.616974
where:
bonds (distance) C4'-P energy: -11.998
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -4.518
tors. eta vs tors. theta energy: -17.373
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: 6
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -212.327404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.327404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.334920 (E_RNA)
where:
Base-Base interactions energy: -152.702
where: short stacking energy: -59.267
Base-Backbone interact. energy: -0.003
local terms energy: -59.629799
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -11.490
flat angles C4'-P-C4' energy: -11.484
flat angles P-C4'-P energy: -6.101
tors. eta vs tors. theta energy: -15.981
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: 290
Temperature: 1.100000
Total energy: -203.394673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.394673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.421763 (E_RNA)
where:
Base-Base interactions energy: -142.197
where: short stacking energy: -58.335
Base-Backbone interact. energy: -0.078
local terms energy: -61.147687
where:
bonds (distance) C4'-P energy: -9.920
bonds (distance) P-C4' energy: -12.122
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -16.523
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: 10
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -205.990977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.990977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.094500 (E_RNA)
where:
Base-Base interactions energy: -144.281
where: short stacking energy: -67.829
Base-Backbone interact. energy: -0.006
local terms energy: -61.808046
where:
bonds (distance) C4'-P energy: -11.014
bonds (distance) P-C4' energy: -12.622
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -6.821
tors. eta vs tors. theta energy: -17.724
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: 2
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -202.986368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.986368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.093826 (E_RNA)
where:
Base-Base interactions energy: -141.382
where: short stacking energy: -56.776
Base-Backbone interact. energy: -0.178
local terms energy: -61.533056
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -13.086
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -9.945
tors. eta vs tors. theta energy: -13.772
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: 1
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -198.621110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.621110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.622596 (E_RNA)
where:
Base-Base interactions energy: -140.847
where: short stacking energy: -56.019
Base-Backbone interact. energy: -0.002
local terms energy: -57.774052
where:
bonds (distance) C4'-P energy: -8.075
bonds (distance) P-C4' energy: -9.915
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -15.451
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: 290
Temperature: 1.300000
Total energy: -175.567450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.567450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.668206 (E_RNA)
where:
Base-Base interactions energy: -127.810
where: short stacking energy: -52.329
Base-Backbone interact. energy: -0.006
local terms energy: -56.852994
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -7.263
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -14.665
Dist. restrs. and SS energy: 9.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -171.844497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.844497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.369954 (E_RNA)
where:
Base-Base interactions energy: -120.068
where: short stacking energy: -44.840
Base-Backbone interact. energy: -0.049
local terms energy: -59.253428
where:
bonds (distance) C4'-P energy: -10.472
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -11.534
Dist. restrs. and SS energy: 7.525 (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: 8
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -234.083262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.083262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.083262 (E_RNA)
where:
Base-Base interactions energy: -173.500
where: short stacking energy: -70.887
Base-Backbone interact. energy: -0.007
local terms energy: -60.576709
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -12.471
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -5.190
tors. eta vs tors. theta energy: -15.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -222.114835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.114835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.201757 (E_RNA)
where:
Base-Base interactions energy: -153.092
where: short stacking energy: -69.210
Base-Backbone interact. energy: -0.001
local terms energy: -69.108570
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -12.288
flat angles P-C4'-P energy: -11.771
tors. eta vs tors. theta energy: -16.286
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: 3, replica: 3
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -230.432454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.432454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.620060 (E_RNA)
where:
Base-Base interactions energy: -173.622
where: short stacking energy: -73.920
Base-Backbone interact. energy: -0.002
local terms energy: -56.996521
where:
bonds (distance) C4'-P energy: -10.055
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -3.925
tors. eta vs tors. theta energy: -16.748
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: 291
Temperature: 1.050000
Total energy: -210.662436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.662436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.662436 (E_RNA)
where:
Base-Base interactions energy: -140.346
where: short stacking energy: -55.132
Base-Backbone interact. energy: -0.058
local terms energy: -70.259103
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -14.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -208.856831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.856831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.060159 (E_RNA)
where:
Base-Base interactions energy: -145.521
where: short stacking energy: -58.938
Base-Backbone interact. energy: -0.704
local terms energy: -62.835719
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -11.433
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -15.736
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: 6, replica: 10
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -210.699900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.699900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.727244 (E_RNA)
where:
Base-Base interactions energy: -154.856
where: short stacking energy: -60.718
Base-Backbone interact. energy: -0.001
local terms energy: -55.870099
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -8.316
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -12.890
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: 2
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -198.285980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.285980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.321758 (E_RNA)
where:
Base-Base interactions energy: -139.747
where: short stacking energy: -54.575
Base-Backbone interact. energy: 0.596
local terms energy: -59.170398
where:
bonds (distance) C4'-P energy: -9.789
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -12.423
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: 1
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -200.811165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.811165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.878732 (E_RNA)
where:
Base-Base interactions energy: -142.893
where: short stacking energy: -53.976
Base-Backbone interact. energy: -0.010
local terms energy: -57.975330
where:
bonds (distance) C4'-P energy: -7.818
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -11.385
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -13.979
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: 9, replica: 4
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -174.507113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.507113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.880620 (E_RNA)
where:
Base-Base interactions energy: -132.529
where: short stacking energy: -53.729
Base-Backbone interact. energy: 0.570
local terms energy: -53.921251
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -8.307
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: -13.063
Dist. restrs. and SS energy: 11.374 (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: 5
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -156.870492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.870492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.611129 (E_RNA)
where:
Base-Base interactions energy: -110.641
where: short stacking energy: -51.062
Base-Backbone interact. energy: -0.089
local terms energy: -54.881093
where:
bonds (distance) C4'-P energy: -11.005
bonds (distance) P-C4' energy: -13.917
flat angles C4'-P-C4' energy: -10.041
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -11.118
Dist. restrs. and SS energy: 8.741 (S_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: 292
Temperature: 0.900000
Total energy: -234.265918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.265918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.265918 (E_RNA)
where:
Base-Base interactions energy: -170.970
where: short stacking energy: -71.403
Base-Backbone interact. energy: -0.573
local terms energy: -62.723192
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -10.939
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -4.826
tors. eta vs tors. theta energy: -18.539
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: 9
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -215.024967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.024967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.034299 (E_RNA)
where:
Base-Base interactions energy: -147.219
where: short stacking energy: -59.288
Base-Backbone interact. energy: -0.585
local terms energy: -67.230399
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -15.761
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: 7
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -224.329597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.329597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.346119 (E_RNA)
where:
Base-Base interactions energy: -157.691
where: short stacking energy: -64.364
Base-Backbone interact. energy: -0.006
local terms energy: -66.649308
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -8.093
tors. eta vs tors. theta energy: -17.003
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: 3
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -207.855191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.855191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.237294 (E_RNA)
where:
Base-Base interactions energy: -145.368
where: short stacking energy: -62.701
Base-Backbone interact. energy: -0.000
local terms energy: -62.868703
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -12.339
flat angles C4'-P-C4' energy: -11.008
flat angles P-C4'-P energy: -8.171
tors. eta vs tors. theta energy: -18.337
Dist. restrs. and SS energy: 0.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -206.971852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.971852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.135394 (E_RNA)
where:
Base-Base interactions energy: -143.216
where: short stacking energy: -60.626
Base-Backbone interact. energy: -0.001
local terms energy: -63.919044
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -10.907
flat angles C4'-P-C4' energy: -12.272
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -17.554
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: 6, replica: 6
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -196.070195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.070195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.139520 (E_RNA)
where:
Base-Base interactions energy: -135.781
where: short stacking energy: -58.121
Base-Backbone interact. energy: 0.484
local terms energy: -60.842406
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -11.300
flat angles P-C4'-P energy: -6.109
tors. eta vs tors. theta energy: -17.009
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: 1
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -198.657617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.657617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.918139 (E_RNA)
where:
Base-Base interactions energy: -140.277
where: short stacking energy: -56.469
Base-Backbone interact. energy: -0.190
local terms energy: -58.451324
where:
bonds (distance) C4'-P energy: -8.549
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -10.771
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -12.783
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: 8, replica: 2
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -196.940375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.940375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.021353 (E_RNA)
where:
Base-Base interactions energy: -142.080
where: short stacking energy: -57.023
Base-Backbone interact. energy: -0.002
local terms energy: -54.939608
where:
bonds (distance) C4'-P energy: -9.069
bonds (distance) P-C4' energy: -10.649
flat angles C4'-P-C4' energy: -10.268
flat angles P-C4'-P energy: -7.982
tors. eta vs tors. theta energy: -16.971
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: 4
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -180.497249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.497249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.053880 (E_RNA)
where:
Base-Base interactions energy: -127.611
where: short stacking energy: -54.854
Base-Backbone interact. energy: -0.401
local terms energy: -60.042123
where:
bonds (distance) C4'-P energy: -10.306
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -11.584
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -15.719
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: 10, replica: 5
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -183.436680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.436680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.296132 (E_RNA)
where:
Base-Base interactions energy: -131.417
where: short stacking energy: -58.817
Base-Backbone interact. energy: -0.211
local terms energy: -58.668261
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -11.517
flat angles C4'-P-C4' energy: -11.568
flat angles P-C4'-P energy: -7.835
tors. eta vs tors. theta energy: -14.624
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: 1, replica: 8
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -234.945307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.945307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.028002 (E_RNA)
where:
Base-Base interactions energy: -176.567
where: short stacking energy: -75.738
Base-Backbone interact. energy: -0.147
local terms energy: -58.313927
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -9.540
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -4.434
tors. eta vs tors. theta energy: -17.983
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: 7
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -219.734169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.734169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.772726 (E_RNA)
where:
Base-Base interactions energy: -150.526
where: short stacking energy: -64.857
Base-Backbone interact. energy: -0.967
local terms energy: -68.279143
where:
bonds (distance) C4'-P energy: -13.957
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -8.011
tors. eta vs tors. theta energy: -18.393
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: 293
Temperature: 1.000000
Total energy: -204.494064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.494064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.592350 (E_RNA)
where:
Base-Base interactions energy: -146.145
where: short stacking energy: -62.456
Base-Backbone interact. energy: -0.014
local terms energy: -58.433297
where:
bonds (distance) C4'-P energy: -6.998
bonds (distance) P-C4' energy: -10.221
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -16.731
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: 3
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -210.063872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.063872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.065703 (E_RNA)
where:
Base-Base interactions energy: -148.264
where: short stacking energy: -60.194
Base-Backbone interact. energy: -0.590
local terms energy: -61.211807
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -12.124
flat angles P-C4'-P energy: -6.808
tors. eta vs tors. theta energy: -15.585
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: 10
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -215.800193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.800193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.831007 (E_RNA)
where:
Base-Base interactions energy: -156.946
where: short stacking energy: -63.663
Base-Backbone interact. energy: -0.014
local terms energy: -58.870743
where:
bonds (distance) C4'-P energy: -10.322
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -11.656
flat angles P-C4'-P energy: -3.065
tors. eta vs tors. theta energy: -18.520
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: 293
Temperature: 1.150000
Total energy: -197.937859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.937859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.971401 (E_RNA)
where:
Base-Base interactions energy: -145.655
where: short stacking energy: -53.455
Base-Backbone interact. energy: -0.794
local terms energy: -51.522195
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -9.652
flat angles C4'-P-C4' energy: -10.960
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -12.735
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: 1
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -205.490464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.490464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.565462 (E_RNA)
where:
Base-Base interactions energy: -143.666
where: short stacking energy: -58.478
Base-Backbone interact. energy: -0.030
local terms energy: -61.870349
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -10.137
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -14.649
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: 293
Temperature: 1.250000
Total energy: -195.750964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.750964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.996338 (E_RNA)
where:
Base-Base interactions energy: -136.302
where: short stacking energy: -55.237
Base-Backbone interact. energy: -0.002
local terms energy: -59.693117
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -8.501
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -7.860
tors. eta vs tors. theta energy: -15.987
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: 9, replica: 4
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -183.154020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.154020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.219090 (E_RNA)
where:
Base-Base interactions energy: -128.501
where: short stacking energy: -55.246
Base-Backbone interact. energy: -0.022
local terms energy: -62.695659
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -9.836
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -16.285
Dist. restrs. and SS energy: 8.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -169.188808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.188808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.746400 (E_RNA)
where:
Base-Base interactions energy: -117.389
where: short stacking energy: -47.908
Base-Backbone interact. energy: -0.098
local terms energy: -60.260028
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -9.392
Dist. restrs. and SS energy: 8.558 (S_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: 294
Temperature: 0.900000
Total energy: -235.560248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.560248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.594608 (E_RNA)
where:
Base-Base interactions energy: -173.886
where: short stacking energy: -70.373
Base-Backbone interact. energy: -0.008
local terms energy: -61.700578
where:
bonds (distance) C4'-P energy: -9.606
bonds (distance) P-C4' energy: -12.675
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -6.378
tors. eta vs tors. theta energy: -17.563
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: 7
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -230.394929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.394929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.394929 (E_RNA)
where:
Base-Base interactions energy: -168.603
where: short stacking energy: -69.047
Base-Backbone interact. energy: -0.051
local terms energy: -61.740508
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -4.480
tors. eta vs tors. theta energy: -18.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -213.738918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.738918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.783978 (E_RNA)
where:
Base-Base interactions energy: -159.656
where: short stacking energy: -63.021
Base-Backbone interact. energy: -0.165
local terms energy: -53.962980
where:
bonds (distance) C4'-P energy: -7.362
bonds (distance) P-C4' energy: -12.084
flat angles C4'-P-C4' energy: -10.152
flat angles P-C4'-P energy: -5.578
tors. eta vs tors. theta energy: -18.787
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: 9
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -214.295962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.295962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.404895 (E_RNA)
where:
Base-Base interactions energy: -161.594
where: short stacking energy: -62.542
Base-Backbone interact. energy: -0.516
local terms energy: -52.295710
where:
bonds (distance) C4'-P energy: -10.609
bonds (distance) P-C4' energy: -11.756
flat angles C4'-P-C4' energy: -10.255
flat angles P-C4'-P energy: -2.617
tors. eta vs tors. theta energy: -17.059
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: 6
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -207.862300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.862300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.863187 (E_RNA)
where:
Base-Base interactions energy: -143.059
where: short stacking energy: -58.105
Base-Backbone interact. energy: -0.001
local terms energy: -64.803464
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: -16.525
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: 10
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -205.850986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.850986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.928287 (E_RNA)
where:
Base-Base interactions energy: -154.573
where: short stacking energy: -65.325
Base-Backbone interact. energy: -0.065
local terms energy: -51.290489
where:
bonds (distance) C4'-P energy: -9.317
bonds (distance) P-C4' energy: -11.470
flat angles C4'-P-C4' energy: -10.752
flat angles P-C4'-P energy: -2.880
tors. eta vs tors. theta energy: -16.871
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: 2
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -202.211763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.211763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.229149 (E_RNA)
where:
Base-Base interactions energy: -141.583
where: short stacking energy: -50.851
Base-Backbone interact. energy: -0.310
local terms energy: -60.335704
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -11.300
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -8.080
tors. eta vs tors. theta energy: -13.092
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: 1
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -198.744259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.744259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.763102 (E_RNA)
where:
Base-Base interactions energy: -142.768
where: short stacking energy: -54.137
Base-Backbone interact. energy: -0.111
local terms energy: -55.883466
where:
bonds (distance) C4'-P energy: -9.209
bonds (distance) P-C4' energy: -10.430
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -8.159
tors. eta vs tors. theta energy: -14.223
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: 294
Temperature: 1.300000
Total energy: -175.257211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.257211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.984045 (E_RNA)
where:
Base-Base interactions energy: -133.546
where: short stacking energy: -53.439
Base-Backbone interact. energy: -1.822
local terms energy: -46.616676
where:
bonds (distance) C4'-P energy: -10.252
bonds (distance) P-C4' energy: -5.880
flat angles C4'-P-C4' energy: -9.054
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -10.755
Dist. restrs. and SS energy: 6.727 (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: 294
Temperature: 1.350000
Total energy: -177.435243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.435243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.106113 (E_RNA)
where:
Base-Base interactions energy: -130.506
where: short stacking energy: -56.799
Base-Backbone interact. energy: -0.596
local terms energy: -54.004367
where:
bonds (distance) C4'-P energy: -7.851
bonds (distance) P-C4' energy: -10.412
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -5.607
tors. eta vs tors. theta energy: -16.722
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: 1, replica: 8
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -240.346351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.346351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.355915 (E_RNA)
where:
Base-Base interactions energy: -180.445
where: short stacking energy: -74.278
Base-Backbone interact. energy: -0.087
local terms energy: -59.823924
where:
bonds (distance) C4'-P energy: -11.676
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -3.696
tors. eta vs tors. theta energy: -19.153
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: 295
Temperature: 0.950000
Total energy: -219.116670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.116670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.120575 (E_RNA)
where:
Base-Base interactions energy: -148.934
where: short stacking energy: -62.205
Base-Backbone interact. energy: -0.212
local terms energy: -69.975089
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -15.910
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: 7
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -222.904405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.904405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.019296 (E_RNA)
where:
Base-Base interactions energy: -160.540
where: short stacking energy: -57.389
Base-Backbone interact. energy: -0.148
local terms energy: -62.331485
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -12.681
flat angles P-C4'-P energy: -7.563
tors. eta vs tors. theta energy: -12.883
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: 6
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -214.328874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.328874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.328874 (E_RNA)
where:
Base-Base interactions energy: -154.048
where: short stacking energy: -67.792
Base-Backbone interact. energy: -0.282
local terms energy: -59.999351
where:
bonds (distance) C4'-P energy: -10.000
bonds (distance) P-C4' energy: -8.970
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -17.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -211.293695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.293695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.403455 (E_RNA)
where:
Base-Base interactions energy: -147.500
where: short stacking energy: -58.883
Base-Backbone interact. energy: 0.365
local terms energy: -64.268921
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -15.248
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: 2
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -204.681385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.681385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.844911 (E_RNA)
where:
Base-Base interactions energy: -146.794
where: short stacking energy: -55.226
Base-Backbone interact. energy: 1.747
local terms energy: -59.798610
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -11.613
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: -12.733
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: 10
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -199.243888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.243888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.281992 (E_RNA)
where:
Base-Base interactions energy: -141.615
where: short stacking energy: -52.727
Base-Backbone interact. energy: -0.082
local terms energy: -57.585832
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -3.320
tors. eta vs tors. theta energy: -13.968
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: 1
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -195.832723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.832723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.947481 (E_RNA)
where:
Base-Base interactions energy: -134.438
where: short stacking energy: -54.647
Base-Backbone interact. energy: -0.300
local terms energy: -61.209698
where:
bonds (distance) C4'-P energy: -9.151
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: -15.975
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: 9, replica: 5
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -178.478066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.478066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.806054 (E_RNA)
where:
Base-Base interactions energy: -128.366
where: short stacking energy: -47.782
Base-Backbone interact. energy: -0.152
local terms energy: -57.287483
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -11.778
flat angles C4'-P-C4' energy: -11.296
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: -13.826
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: 4
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -175.769018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.769018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.470693 (E_RNA)
where:
Base-Base interactions energy: -128.750
where: short stacking energy: -54.109
Base-Backbone interact. energy: -0.715
local terms energy: -56.005018
where:
bonds (distance) C4'-P energy: -14.200
bonds (distance) P-C4' energy: -10.028
flat angles C4'-P-C4' energy: -8.494
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -14.224
Dist. restrs. and SS energy: 9.702 (S_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: 296
Temperature: 0.900000
Total energy: -235.229770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.229770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.270424 (E_RNA)
where:
Base-Base interactions energy: -169.610
where: short stacking energy: -68.808
Base-Backbone interact. energy: -0.047
local terms energy: -65.613443
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -5.635
tors. eta vs tors. theta energy: -16.751
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: 3
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -223.706380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.706380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.778412 (E_RNA)
where:
Base-Base interactions energy: -153.587
where: short stacking energy: -65.627
Base-Backbone interact. energy: -0.394
local terms energy: -69.797033
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -13.625
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -16.992
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: 7
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -233.133498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.133498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.133498 (E_RNA)
where:
Base-Base interactions energy: -173.036
where: short stacking energy: -68.359
Base-Backbone interact. energy: -0.404
local terms energy: -59.693533
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -10.161
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -4.780
tors. eta vs tors. theta energy: -17.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -203.905424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.905424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.906273 (E_RNA)
where:
Base-Base interactions energy: -135.179
where: short stacking energy: -50.986
Base-Backbone interact. energy: -0.004
local terms energy: -68.723458
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -14.108
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: 2
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -203.551784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.551784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.614558 (E_RNA)
where:
Base-Base interactions energy: -147.138
where: short stacking energy: -59.900
Base-Backbone interact. energy: -0.000
local terms energy: -56.476696
where:
bonds (distance) C4'-P energy: -9.439
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -12.578
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: 6, replica: 9
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -204.425222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.425222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.495634 (E_RNA)
where:
Base-Base interactions energy: -151.330
where: short stacking energy: -57.548
Base-Backbone interact. energy: -0.003
local terms energy: -53.161928
where:
bonds (distance) C4'-P energy: -6.915
bonds (distance) P-C4' energy: -13.017
flat angles C4'-P-C4' energy: -13.661
flat angles P-C4'-P energy: -5.971
tors. eta vs tors. theta energy: -13.598
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: 1
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -209.243959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.243959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.299044 (E_RNA)
where:
Base-Base interactions energy: -145.202
where: short stacking energy: -57.269
Base-Backbone interact. energy: -0.010
local terms energy: -64.086826
where:
bonds (distance) C4'-P energy: -11.338
bonds (distance) P-C4' energy: -14.629
flat angles C4'-P-C4' energy: -12.082
flat angles P-C4'-P energy: -12.507
tors. eta vs tors. theta energy: -13.530
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: 10
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -196.021840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.021840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.045803 (E_RNA)
where:
Base-Base interactions energy: -137.078
where: short stacking energy: -54.414
Base-Backbone interact. energy: -0.034
local terms energy: -58.933738
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -12.122
flat angles C4'-P-C4' energy: -11.851
flat angles P-C4'-P energy: -7.285
tors. eta vs tors. theta energy: -16.595
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: 296
Temperature: 1.300000
Total energy: -184.508757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.508757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.214833 (E_RNA)
where:
Base-Base interactions energy: -130.886
where: short stacking energy: -57.601
Base-Backbone interact. energy: -0.020
local terms energy: -61.308728
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -12.035
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -5.925
tors. eta vs tors. theta energy: -16.445
Dist. restrs. and SS energy: 7.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -179.277554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.277554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.930102 (E_RNA)
where:
Base-Base interactions energy: -128.812
where: short stacking energy: -48.326
Base-Backbone interact. energy: -0.195
local terms energy: -57.922977
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -3.883
tors. eta vs tors. theta energy: -14.493
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: 1, replica: 8
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -226.733420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.733420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.733420 (E_RNA)
where:
Base-Base interactions energy: -163.850
where: short stacking energy: -59.597
Base-Backbone interact. energy: -0.375
local terms energy: -62.508322
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -11.091
flat angles P-C4'-P energy: -6.111
tors. eta vs tors. theta energy: -18.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -234.112908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.112908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.155905 (E_RNA)
where:
Base-Base interactions energy: -168.892
where: short stacking energy: -68.222
Base-Backbone interact. energy: -0.418
local terms energy: -64.846122
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -3.779
tors. eta vs tors. theta energy: -17.926
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: 7
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -210.729070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.729070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.729070 (E_RNA)
where:
Base-Base interactions energy: -147.417
where: short stacking energy: -65.450
Base-Backbone interact. energy: -0.041
local terms energy: -63.270898
where:
bonds (distance) C4'-P energy: -9.433
bonds (distance) P-C4' energy: -12.204
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -17.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -207.713992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.713992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.748625 (E_RNA)
where:
Base-Base interactions energy: -147.652
where: short stacking energy: -60.899
Base-Backbone interact. energy: -0.672
local terms energy: -59.425361
where:
bonds (distance) C4'-P energy: -9.909
bonds (distance) P-C4' energy: -10.132
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -14.767
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: 2
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -205.819424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.819424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.918467 (E_RNA)
where:
Base-Base interactions energy: -146.008
where: short stacking energy: -60.491
Base-Backbone interact. energy: -0.295
local terms energy: -59.615132
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -11.517
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: -13.212
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: 1
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -204.749991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.749991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.830085 (E_RNA)
where:
Base-Base interactions energy: -142.827
where: short stacking energy: -60.175
Base-Backbone interact. energy: -0.698
local terms energy: -61.304550
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -12.772
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: 9
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -198.575988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.575988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.888967 (E_RNA)
where:
Base-Base interactions energy: -138.323
where: short stacking energy: -55.958
Base-Backbone interact. energy: 0.458
local terms energy: -61.023645
where:
bonds (distance) C4'-P energy: -9.668
bonds (distance) P-C4' energy: -12.070
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -15.576
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: 8, replica: 4
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -184.665007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.665007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.032668 (E_RNA)
where:
Base-Base interactions energy: -133.748
where: short stacking energy: -60.351
Base-Backbone interact. energy: 0.801
local terms energy: -60.085637
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -11.352
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -6.007
tors. eta vs tors. theta energy: -16.338
Dist. restrs. and SS energy: 8.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -208.554304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.554304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.572549 (E_RNA)
where:
Base-Base interactions energy: -154.614
where: short stacking energy: -55.173
Base-Backbone interact. energy: 0.249
local terms energy: -54.206862
where:
bonds (distance) C4'-P energy: -5.728
bonds (distance) P-C4' energy: -10.931
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -8.093
tors. eta vs tors. theta energy: -14.269
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: 297
Temperature: 1.350000
Total energy: -179.446702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.446702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.568375 (E_RNA)
where:
Base-Base interactions energy: -130.505
where: short stacking energy: -60.507
Base-Backbone interact. energy: -1.254
local terms energy: -55.808553
where:
bonds (distance) C4'-P energy: -10.152
bonds (distance) P-C4' energy: -13.401
flat angles C4'-P-C4' energy: -11.034
flat angles P-C4'-P energy: -5.603
tors. eta vs tors. theta energy: -15.619
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: 1, replica: 3
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -233.180656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.180656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.278695 (E_RNA)
where:
Base-Base interactions energy: -169.362
where: short stacking energy: -68.405
Base-Backbone interact. energy: -0.232
local terms energy: -63.684512
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -16.274
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: 2, replica: 8
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -232.563262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.563262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.613093 (E_RNA)
where:
Base-Base interactions energy: -166.445
where: short stacking energy: -69.704
Base-Backbone interact. energy: -0.003
local terms energy: -66.164591
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -2.961
tors. eta vs tors. theta energy: -20.565
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: 3, replica: 6
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -212.477225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.477225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.486201 (E_RNA)
where:
Base-Base interactions energy: -150.282
where: short stacking energy: -61.040
Base-Backbone interact. energy: -0.001
local terms energy: -62.202554
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -10.726
flat angles C4'-P-C4' energy: -11.786
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -16.372
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: 7
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -208.727130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.727130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.847004 (E_RNA)
where:
Base-Base interactions energy: -146.665
where: short stacking energy: -60.025
Base-Backbone interact. energy: -0.000
local terms energy: -62.182061
where:
bonds (distance) C4'-P energy: -10.279
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -15.219
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: 1
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -205.391471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.391471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.521329 (E_RNA)
where:
Base-Base interactions energy: -142.278
where: short stacking energy: -59.039
Base-Backbone interact. energy: -0.287
local terms energy: -62.956620
where:
bonds (distance) C4'-P energy: -10.649
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -11.439
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -16.418
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: 6, replica: 2
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -200.205753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.205753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.259360 (E_RNA)
where:
Base-Base interactions energy: -144.047
where: short stacking energy: -60.927
Base-Backbone interact. energy: 1.206
local terms energy: -57.418054
where:
bonds (distance) C4'-P energy: -8.973
bonds (distance) P-C4' energy: -11.002
flat angles C4'-P-C4' energy: -11.708
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -15.184
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: 9
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -197.922032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.922032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.161586 (E_RNA)
where:
Base-Base interactions energy: -140.831
where: short stacking energy: -57.257
Base-Backbone interact. energy: 0.436
local terms energy: -57.766639
where:
bonds (distance) C4'-P energy: -9.587
bonds (distance) P-C4' energy: -11.911
flat angles C4'-P-C4' energy: -9.690
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -16.183
Dist. restrs. and SS energy: 0.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -180.208773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.208773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.014132 (E_RNA)
where:
Base-Base interactions energy: -129.047
where: short stacking energy: -58.044
Base-Backbone interact. energy: -0.497
local terms energy: -58.469974
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -10.653
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -8.469
tors. eta vs tors. theta energy: -14.028
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: 9, replica: 5
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -173.064079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.064079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.145901 (E_RNA)
where:
Base-Base interactions energy: -131.515
where: short stacking energy: -54.990
Base-Backbone interact. energy: -0.014
local terms energy: -47.616581
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -6.681
flat angles C4'-P-C4' energy: -10.227
flat angles P-C4'-P energy: -6.536
tors. eta vs tors. theta energy: -11.358
Dist. restrs. and SS energy: 6.082 (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: 10
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -193.784608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.784608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.912767 (E_RNA)
where:
Base-Base interactions energy: -139.846
where: short stacking energy: -54.060
Base-Backbone interact. energy: -0.223
local terms energy: -53.844040
where:
bonds (distance) C4'-P energy: -7.449
bonds (distance) P-C4' energy: -7.912
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -13.875
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: 3
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -240.909066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.909066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.983834 (E_RNA)
where:
Base-Base interactions energy: -175.940
where: short stacking energy: -67.988
Base-Backbone interact. energy: -0.002
local terms energy: -65.041356
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -3.295
tors. eta vs tors. theta energy: -20.618
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: 8
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -229.434577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.434577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.444792 (E_RNA)
where:
Base-Base interactions energy: -167.045
where: short stacking energy: -63.833
Base-Backbone interact. energy: 0.003
local terms energy: -62.403192
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -13.206
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -4.719
tors. eta vs tors. theta energy: -17.378
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: 6
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -219.485199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.485199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.496427 (E_RNA)
where:
Base-Base interactions energy: -154.731
where: short stacking energy: -65.931
Base-Backbone interact. energy: 1.509
local terms energy: -66.273839
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -12.832
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -15.688
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: 299
Temperature: 1.050000
Total energy: -208.342004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.342004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.447367 (E_RNA)
where:
Base-Base interactions energy: -143.583
where: short stacking energy: -57.288
Base-Backbone interact. energy: -0.656
local terms energy: -64.208342
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -8.004
tors. eta vs tors. theta energy: -14.580
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: 7
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -201.871258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.871258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.938352 (E_RNA)
where:
Base-Base interactions energy: -139.975
where: short stacking energy: -57.260
Base-Backbone interact. energy: -0.041
local terms energy: -61.921657
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -7.840
tors. eta vs tors. theta energy: -13.625
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: 9
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -208.045203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.045203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.063004 (E_RNA)
where:
Base-Base interactions energy: -148.249
where: short stacking energy: -64.586
Base-Backbone interact. energy: -0.043
local terms energy: -59.770918
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -7.154
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -16.559
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: 2
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -194.845862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.845862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.037547 (E_RNA)
where:
Base-Base interactions energy: -137.278
where: short stacking energy: -52.036
Base-Backbone interact. energy: 0.587
local terms energy: -58.347240
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -12.431
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -11.989
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: 299
Temperature: 1.250000
Total energy: -199.805670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.805670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.994283 (E_RNA)
where:
Base-Base interactions energy: -152.691
where: short stacking energy: -64.631
Base-Backbone interact. energy: -1.050
local terms energy: -55.253079
where:
bonds (distance) C4'-P energy: -9.504
bonds (distance) P-C4' energy: -12.475
flat angles C4'-P-C4' energy: -11.293
flat angles P-C4'-P energy: -5.986
tors. eta vs tors. theta energy: -15.995
Dist. restrs. and SS energy: 9.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -181.140948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.140948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.925244 (E_RNA)
where:
Base-Base interactions energy: -124.059
where: short stacking energy: -51.561
Base-Backbone interact. energy: -0.000
local terms energy: -63.865612
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -8.285
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -19.441
Dist. restrs. and SS energy: 6.784 (S_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: 299
Temperature: 1.350000
Total energy: -192.302670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.302670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.302670 (E_RNA)
where:
Base-Base interactions energy: -135.474
where: short stacking energy: -54.288
Base-Backbone interact. energy: -0.001
local terms energy: -56.827764
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -10.764
flat angles C4'-P-C4' energy: -11.757
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -13.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -235.808402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.808402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.824256 (E_RNA)
where:
Base-Base interactions energy: -174.979
where: short stacking energy: -67.949
Base-Backbone interact. energy: -0.241
local terms energy: -60.604428
where:
bonds (distance) C4'-P energy: -13.223
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -5.260
tors. eta vs tors. theta energy: -16.622
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: 8
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -220.374777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.374777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.489929 (E_RNA)
where:
Base-Base interactions energy: -161.000
where: short stacking energy: -64.501
Base-Backbone interact. energy: -0.029
local terms energy: -59.460235
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -11.691
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -5.534
tors. eta vs tors. theta energy: -14.712
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: 3, replica: 1
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -214.869789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.869789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.895087 (E_RNA)
where:
Base-Base interactions energy: -146.147
where: short stacking energy: -58.424
Base-Backbone interact. energy: -0.094
local terms energy: -68.654369
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -14.025
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -10.781
tors. eta vs tors. theta energy: -15.215
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: 300
Temperature: 1.050000
Total energy: -211.371884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.371884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.437210 (E_RNA)
where:
Base-Base interactions energy: -149.425
where: short stacking energy: -66.518
Base-Backbone interact. energy: 0.674
local terms energy: -62.685464
where:
bonds (distance) C4'-P energy: -10.188
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -6.588
tors. eta vs tors. theta energy: -17.588
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: 300
Temperature: 1.100000
Total energy: -202.888717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.888717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.233654 (E_RNA)
where:
Base-Base interactions energy: -151.431
where: short stacking energy: -58.448
Base-Backbone interact. energy: -0.053
local terms energy: -51.749820
where:
bonds (distance) C4'-P energy: -10.049
bonds (distance) P-C4' energy: -11.495
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -3.077
tors. eta vs tors. theta energy: -13.679
Dist. restrs. and SS energy: 0.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -193.778198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.778198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.781118 (E_RNA)
where:
Base-Base interactions energy: -140.638
where: short stacking energy: -56.865
Base-Backbone interact. energy: -0.085
local terms energy: -53.058422
where:
bonds (distance) C4'-P energy: -6.919
bonds (distance) P-C4' energy: -9.927
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -9.325
tors. eta vs tors. theta energy: -14.375
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: 300
Temperature: 1.200000
Total energy: -208.808561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.808561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.863903 (E_RNA)
where:
Base-Base interactions energy: -146.091
where: short stacking energy: -60.741
Base-Backbone interact. energy: -0.280
local terms energy: -62.493630
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -7.852
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -16.490
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: 300
Temperature: 1.250000
Total energy: -197.560959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.560959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.156776 (E_RNA)
where:
Base-Base interactions energy: -142.911
where: short stacking energy: -66.662
Base-Backbone interact. energy: 0.341
local terms energy: -62.586570
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -13.383
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -15.392
Dist. restrs. and SS energy: 7.596 (S_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: 300
Temperature: 1.300000
Total energy: -198.088204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.088204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.119724 (E_RNA)
where:
Base-Base interactions energy: -139.225
where: short stacking energy: -52.542
Base-Backbone interact. energy: -0.046
local terms energy: -58.848666
where:
bonds (distance) C4'-P energy: -10.082
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -11.817
flat angles P-C4'-P energy: -10.741
tors. eta vs tors. theta energy: -11.662
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: 300
Temperature: 1.350000
Total energy: -169.912512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.912512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.546743 (E_RNA)
where:
Base-Base interactions energy: -124.225
where: short stacking energy: -50.877
Base-Backbone interact. energy: -0.764
local terms energy: -52.556843
where:
bonds (distance) C4'-P energy: -9.005
bonds (distance) P-C4' energy: -7.985
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -12.282
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: 1, replica: 3
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -239.594853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.594853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.625069 (E_RNA)
where:
Base-Base interactions energy: -174.891
where: short stacking energy: -70.214
Base-Backbone interact. energy: -0.003
local terms energy: -64.730433
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -3.618
tors. eta vs tors. theta energy: -17.499
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: 8
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -228.720901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.720901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.800733 (E_RNA)
where:
Base-Base interactions energy: -167.842
where: short stacking energy: -64.135
Base-Backbone interact. energy: -0.451
local terms energy: -60.507033
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -3.338
tors. eta vs tors. theta energy: -16.532
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: 1
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -221.610782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.610782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.776870 (E_RNA)
where:
Base-Base interactions energy: -155.646
where: short stacking energy: -65.718
Base-Backbone interact. energy: -0.156
local terms energy: -65.974680
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -11.664
flat angles P-C4'-P energy: -7.804
tors. eta vs tors. theta energy: -17.602
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: 4, replica: 9
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -216.320486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.320486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.408162 (E_RNA)
where:
Base-Base interactions energy: -156.717
where: short stacking energy: -58.462
Base-Backbone interact. energy: -0.014
local terms energy: -59.677137
where:
bonds (distance) C4'-P energy: -10.748
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -1.874
tors. eta vs tors. theta energy: -19.232
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: 6
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -210.062911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.062911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.122112 (E_RNA)
where:
Base-Base interactions energy: -150.486
where: short stacking energy: -63.810
Base-Backbone interact. energy: -0.002
local terms energy: -59.633617
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -9.425
flat angles P-C4'-P energy: -9.093
tors. eta vs tors. theta energy: -14.833
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: 2
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -199.982908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.982908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.036165 (E_RNA)
where:
Base-Base interactions energy: -137.310
where: short stacking energy: -51.506
Base-Backbone interact. energy: 0.115
local terms energy: -62.841176
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -10.554
flat angles P-C4'-P energy: -12.203
tors. eta vs tors. theta energy: -12.526
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: 7
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -204.744238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.744238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.744238 (E_RNA)
where:
Base-Base interactions energy: -148.411
where: short stacking energy: -56.275
Base-Backbone interact. energy: -0.324
local terms energy: -56.009770
where:
bonds (distance) C4'-P energy: -10.595
bonds (distance) P-C4' energy: -11.958
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -4.857
tors. eta vs tors. theta energy: -15.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -195.966848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.966848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.972283 (E_RNA)
where:
Base-Base interactions energy: -137.340
where: short stacking energy: -54.089
Base-Backbone interact. energy: -0.027
local terms energy: -58.605817
where:
bonds (distance) C4'-P energy: -5.211
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -12.792
tors. eta vs tors. theta energy: -13.657
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: 301
Temperature: 1.300000
Total energy: -179.763210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.763210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.502616 (E_RNA)
where:
Base-Base interactions energy: -125.275
where: short stacking energy: -55.173
Base-Backbone interact. energy: 1.325
local terms energy: -63.553418
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -11.466
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -14.425
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: 10, replica: 4
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -182.008928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.008928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.981195 (E_RNA)
where:
Base-Base interactions energy: -133.829
where: short stacking energy: -55.656
Base-Backbone interact. energy: -0.286
local terms energy: -55.865362
where:
bonds (distance) C4'-P energy: -9.320
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -11.727
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -13.037
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: 8
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -225.637481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.637481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.748722 (E_RNA)
where:
Base-Base interactions energy: -160.483
where: short stacking energy: -64.342
Base-Backbone interact. energy: 0.676
local terms energy: -65.941115
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -12.480
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: -16.988
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: 3
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -230.678511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.678511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.678836 (E_RNA)
where:
Base-Base interactions energy: -167.658
where: short stacking energy: -66.250
Base-Backbone interact. energy: -0.399
local terms energy: -62.622446
where:
bonds (distance) C4'-P energy: -10.447
bonds (distance) P-C4' energy: -12.182
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: -16.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -212.467661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.467661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.487791 (E_RNA)
where:
Base-Base interactions energy: -152.122
where: short stacking energy: -53.356
Base-Backbone interact. energy: 0.435
local terms energy: -60.800583
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -6.104
tors. eta vs tors. theta energy: -14.908
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: 302
Temperature: 1.050000
Total energy: -214.163501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.163501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.227603 (E_RNA)
where:
Base-Base interactions energy: -149.159
where: short stacking energy: -64.049
Base-Backbone interact. energy: -0.099
local terms energy: -64.969581
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -10.882
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -16.461
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: 2
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -216.077659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.077659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.185462 (E_RNA)
where:
Base-Base interactions energy: -149.258
where: short stacking energy: -66.634
Base-Backbone interact. energy: -0.000
local terms energy: -66.927464
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -11.442
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: -18.829
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: 6
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -205.652552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.652552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.660377 (E_RNA)
where:
Base-Base interactions energy: -144.443
where: short stacking energy: -58.536
Base-Backbone interact. energy: -0.009
local terms energy: -61.207816
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: -11.780
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: 10
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -201.337808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.337808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.450692 (E_RNA)
where:
Base-Base interactions energy: -142.591
where: short stacking energy: -60.071
Base-Backbone interact. energy: 0.950
local terms energy: -59.809282
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -11.265
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -7.306
tors. eta vs tors. theta energy: -13.180
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: 7
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -205.457022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.457022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.457022 (E_RNA)
where:
Base-Base interactions energy: -149.107
where: short stacking energy: -54.063
Base-Backbone interact. energy: 0.175
local terms energy: -56.524525
where:
bonds (distance) C4'-P energy: -7.772
bonds (distance) P-C4' energy: -11.718
flat angles C4'-P-C4' energy: -8.977
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -16.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -179.251795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.251795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.470133 (E_RNA)
where:
Base-Base interactions energy: -126.900
where: short stacking energy: -52.890
Base-Backbone interact. energy: -1.765
local terms energy: -57.805663
where:
bonds (distance) C4'-P energy: -8.333
bonds (distance) P-C4' energy: -9.757
flat angles C4'-P-C4' energy: -13.422
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -15.187
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: 10, replica: 5
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -179.284059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.284059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.639531 (E_RNA)
where:
Base-Base interactions energy: -125.996
where: short stacking energy: -51.690
Base-Backbone interact. energy: -0.087
local terms energy: -61.556270
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -14.015
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -6.121
tors. eta vs tors. theta energy: -15.131
Dist. restrs. and SS energy: 8.355 (S_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: 303
Temperature: 0.900000
Total energy: -213.353156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.353156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.380533 (E_RNA)
where:
Base-Base interactions energy: -151.415
where: short stacking energy: -63.252
Base-Backbone interact. energy: -0.147
local terms energy: -61.818482
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -11.816
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -7.539
tors. eta vs tors. theta energy: -16.673
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: 9
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -220.571673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.571673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.571673 (E_RNA)
where:
Base-Base interactions energy: -170.281
where: short stacking energy: -66.969
Base-Backbone interact. energy: -0.006
local terms energy: -50.285262
where:
bonds (distance) C4'-P energy: -8.291
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -1.440
tors. eta vs tors. theta energy: -14.077
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -228.070104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.070104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.122801 (E_RNA)
where:
Base-Base interactions energy: -167.992
where: short stacking energy: -64.393
Base-Backbone interact. energy: -0.002
local terms energy: -60.129311
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -13.085
flat angles P-C4'-P energy: -2.553
tors. eta vs tors. theta energy: -17.244
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: 2
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -212.790645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.790645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.799556 (E_RNA)
where:
Base-Base interactions energy: -152.225
where: short stacking energy: -61.921
Base-Backbone interact. energy: -0.117
local terms energy: -60.458216
where:
bonds (distance) C4'-P energy: -10.580
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -14.786
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: 1
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -211.744666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.744666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.837428 (E_RNA)
where:
Base-Base interactions energy: -147.446
where: short stacking energy: -63.223
Base-Backbone interact. energy: -0.018
local terms energy: -64.373698
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -11.211
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -15.362
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: 6, replica: 10
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -203.214877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.214877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.387243 (E_RNA)
where:
Base-Base interactions energy: -141.022
where: short stacking energy: -50.447
Base-Backbone interact. energy: 0.221
local terms energy: -62.586148
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -11.801
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -11.692
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: 7, replica: 6
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -201.939223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.939223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.967057 (E_RNA)
where:
Base-Base interactions energy: -152.059
where: short stacking energy: -60.411
Base-Backbone interact. energy: -0.002
local terms energy: -49.906009
where:
bonds (distance) C4'-P energy: -8.384
bonds (distance) P-C4' energy: -4.777
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -16.103
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: 303
Temperature: 1.250000
Total energy: -179.970875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.970875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.145833 (E_RNA)
where:
Base-Base interactions energy: -129.113
where: short stacking energy: -58.244
Base-Backbone interact. energy: -0.002
local terms energy: -59.030846
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -10.758
flat angles P-C4'-P energy: -6.811
tors. eta vs tors. theta energy: -13.280
Dist. restrs. and SS energy: 8.175 (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: 7
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -202.304048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.304048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.598762 (E_RNA)
where:
Base-Base interactions energy: -139.737
where: short stacking energy: -62.145
Base-Backbone interact. energy: -0.005
local terms energy: -62.856777
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -8.511
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -16.444
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: 10, replica: 5
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -170.482959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.482959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.494271 (E_RNA)
where:
Base-Base interactions energy: -122.529
where: short stacking energy: -46.154
Base-Backbone interact. energy: -0.621
local terms energy: -55.344954
where:
bonds (distance) C4'-P energy: -9.383
bonds (distance) P-C4' energy: -12.345
flat angles C4'-P-C4' energy: -8.931
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -14.216
Dist. restrs. and SS energy: 8.011 (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: 9
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -240.773122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.773122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.787858 (E_RNA)
where:
Base-Base interactions energy: -167.528
where: short stacking energy: -71.054
Base-Backbone interact. energy: -0.003
local terms energy: -73.256947
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -16.722
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: -18.249
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: 304
Temperature: 0.950000
Total energy: -217.182477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.182477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.215261 (E_RNA)
where:
Base-Base interactions energy: -151.827
where: short stacking energy: -64.277
Base-Backbone interact. energy: -0.001
local terms energy: -65.386450
where:
bonds (distance) C4'-P energy: -12.739
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -7.807
tors. eta vs tors. theta energy: -16.152
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: 3
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -230.165442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.165442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.281705 (E_RNA)
where:
Base-Base interactions energy: -173.684
where: short stacking energy: -69.957
Base-Backbone interact. energy: -0.289
local terms energy: -56.308528
where:
bonds (distance) C4'-P energy: -7.363
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -3.527
tors. eta vs tors. theta energy: -16.146
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: 4, replica: 2
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -219.727392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.727392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.770120 (E_RNA)
where:
Base-Base interactions energy: -161.733
where: short stacking energy: -67.194
Base-Backbone interact. energy: -0.020
local terms energy: -58.017461
where:
bonds (distance) C4'-P energy: -8.576
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -6.575
tors. eta vs tors. theta energy: -16.583
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: 304
Temperature: 1.100000
Total energy: -207.941158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.941158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.007719 (E_RNA)
where:
Base-Base interactions energy: -141.684
where: short stacking energy: -62.607
Base-Backbone interact. energy: -0.087
local terms energy: -66.237316
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -11.086
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -16.749
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: 1
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -210.736655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.736655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.744810 (E_RNA)
where:
Base-Base interactions energy: -147.299
where: short stacking energy: -58.657
Base-Backbone interact. energy: -0.009
local terms energy: -63.437006
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -10.704
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -14.948
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: 4
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -201.112844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.112844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.277567 (E_RNA)
where:
Base-Base interactions energy: -146.957
where: short stacking energy: -59.011
Base-Backbone interact. energy: -0.726
local terms energy: -61.594831
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -9.135
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -16.935
Dist. restrs. and SS energy: 8.165 (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: 6
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -196.956536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.956536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.956536 (E_RNA)
where:
Base-Base interactions energy: -140.245
where: short stacking energy: -57.903
Base-Backbone interact. energy: -0.096
local terms energy: -56.615413
where:
bonds (distance) C4'-P energy: -11.736
bonds (distance) P-C4' energy: -10.908
flat angles C4'-P-C4' energy: -10.030
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -13.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -192.308161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.308161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.308161 (E_RNA)
where:
Base-Base interactions energy: -148.525
where: short stacking energy: -55.298
Base-Backbone interact. energy: 0.295
local terms energy: -44.077912
where:
bonds (distance) C4'-P energy: -9.693
bonds (distance) P-C4' energy: -5.594
flat angles C4'-P-C4' energy: -9.296
flat angles P-C4'-P energy: -6.430
tors. eta vs tors. theta energy: -13.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -170.538541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.538541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.023031 (E_RNA)
where:
Base-Base interactions energy: -128.584
where: short stacking energy: -51.223
Base-Backbone interact. energy: -0.611
local terms energy: -45.828169
where:
bonds (distance) C4'-P energy: -5.551
bonds (distance) P-C4' energy: -10.572
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -7.912
tors. eta vs tors. theta energy: -8.892
Dist. restrs. and SS energy: 4.484 (S_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: 305
Temperature: 0.900000
Total energy: -231.651221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.651221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.725405 (E_RNA)
where:
Base-Base interactions energy: -161.441
where: short stacking energy: -69.529
Base-Backbone interact. energy: -0.074
local terms energy: -70.210334
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -19.135
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: 3
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -227.622539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.622539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.627538 (E_RNA)
where:
Base-Base interactions energy: -166.782
where: short stacking energy: -60.582
Base-Backbone interact. energy: -0.061
local terms energy: -60.785160
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -2.804
tors. eta vs tors. theta energy: -15.972
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: 8
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -218.016550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.016550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.016550 (E_RNA)
where:
Base-Base interactions energy: -148.661
where: short stacking energy: -63.970
Base-Backbone interact. energy: -0.126
local terms energy: -69.230052
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -16.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -206.932369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.932369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.036967 (E_RNA)
where:
Base-Base interactions energy: -152.528
where: short stacking energy: -60.009
Base-Backbone interact. energy: -0.265
local terms energy: -54.243898
where:
bonds (distance) C4'-P energy: -10.551
bonds (distance) P-C4' energy: -8.873
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -7.243
tors. eta vs tors. theta energy: -13.998
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: 2
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -213.678048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.678048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.787064 (E_RNA)
where:
Base-Base interactions energy: -157.284
where: short stacking energy: -57.624
Base-Backbone interact. energy: -0.018
local terms energy: -56.484823
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -9.740
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: -12.720
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: 305
Temperature: 1.150000
Total energy: -200.141731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.141731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.149915 (E_RNA)
where:
Base-Base interactions energy: -155.019
where: short stacking energy: -60.641
Base-Backbone interact. energy: 0.071
local terms energy: -45.201589
where:
bonds (distance) C4'-P energy: -5.665
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -8.514
flat angles P-C4'-P energy: -4.256
tors. eta vs tors. theta energy: -14.228
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: 4
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -185.286552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.286552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.805558 (E_RNA)
where:
Base-Base interactions energy: -127.909
where: short stacking energy: -53.324
Base-Backbone interact. energy: -0.691
local terms energy: -63.205520
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -15.338
flat angles C4'-P-C4' energy: -10.875
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -16.731
Dist. restrs. and SS energy: 6.519 (S_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: 305
Temperature: 1.250000
Total energy: -197.383476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.383476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.512323 (E_RNA)
where:
Base-Base interactions energy: -140.504
where: short stacking energy: -57.138
Base-Backbone interact. energy: -0.369
local terms energy: -56.638831
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -9.546
flat angles P-C4'-P energy: -5.870
tors. eta vs tors. theta energy: -18.304
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: 9, replica: 6
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -199.335000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.335000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.438623 (E_RNA)
where:
Base-Base interactions energy: -139.016
where: short stacking energy: -58.106
Base-Backbone interact. energy: -0.029
local terms energy: -60.393555
where:
bonds (distance) C4'-P energy: -10.385
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -12.939
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: 5
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -168.392184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.392184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.190936 (E_RNA)
where:
Base-Base interactions energy: -121.783
where: short stacking energy: -40.948
Base-Backbone interact. energy: -0.642
local terms energy: -49.765509
where:
bonds (distance) C4'-P energy: -10.775
bonds (distance) P-C4' energy: -11.232
flat angles C4'-P-C4' energy: -10.022
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -8.753
Dist. restrs. and SS energy: 3.799 (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: 3
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -224.999674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.999674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.159861 (E_RNA)
where:
Base-Base interactions energy: -151.463
where: short stacking energy: -63.473
Base-Backbone interact. energy: -0.502
local terms energy: -73.194327
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -13.133
tors. eta vs tors. theta energy: -17.893
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: 306
Temperature: 0.950000
Total energy: -219.529249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.529249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.576120 (E_RNA)
where:
Base-Base interactions energy: -150.643
where: short stacking energy: -65.564
Base-Backbone interact. energy: -0.001
local terms energy: -68.931579
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -15.065
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: 10
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -216.509386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.509386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.509386 (E_RNA)
where:
Base-Base interactions energy: -154.410
where: short stacking energy: -65.449
Base-Backbone interact. energy: -0.197
local terms energy: -61.902852
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -12.010
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -6.979
tors. eta vs tors. theta energy: -18.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -212.417428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.417428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.450318 (E_RNA)
where:
Base-Base interactions energy: -150.765
where: short stacking energy: -64.870
Base-Backbone interact. energy: -0.164
local terms energy: -61.520636
where:
bonds (distance) C4'-P energy: -10.920
bonds (distance) P-C4' energy: -10.038
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -16.687
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: 2
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -211.122082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.122082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.338979 (E_RNA)
where:
Base-Base interactions energy: -151.241
where: short stacking energy: -59.399
Base-Backbone interact. energy: -0.005
local terms energy: -60.093404
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -11.634
flat angles P-C4'-P energy: -7.187
tors. eta vs tors. theta energy: -13.033
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: 6, replica: 1
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -209.610212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.610212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.631731 (E_RNA)
where:
Base-Base interactions energy: -149.973
where: short stacking energy: -58.140
Base-Backbone interact. energy: -0.705
local terms energy: -58.953630
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -15.440
flat angles C4'-P-C4' energy: -11.220
flat angles P-C4'-P energy: -4.401
tors. eta vs tors. theta energy: -16.423
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: 7, replica: 7
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -199.546640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.546640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.014633 (E_RNA)
where:
Base-Base interactions energy: -140.692
where: short stacking energy: -53.872
Base-Backbone interact. energy: -0.006
local terms energy: -59.317130
where:
bonds (distance) C4'-P energy: -9.816
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -12.200
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -13.907
Dist. restrs. and SS energy: 0.468 (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: 4
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -177.946481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.946481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.410595 (E_RNA)
where:
Base-Base interactions energy: -130.019
where: short stacking energy: -56.789
Base-Backbone interact. energy: -0.164
local terms energy: -57.227741
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -10.629
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -6.423
tors. eta vs tors. theta energy: -15.149
Dist. restrs. and SS energy: 9.464 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -192.766156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.766156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.836183 (E_RNA)
where:
Base-Base interactions energy: -137.145
where: short stacking energy: -56.038
Base-Backbone interact. energy: -0.701
local terms energy: -54.990153
where:
bonds (distance) C4'-P energy: -9.172
bonds (distance) P-C4' energy: -9.762
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -12.347
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: 10, replica: 6
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -195.518680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.518680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.559695 (E_RNA)
where:
Base-Base interactions energy: -138.454
where: short stacking energy: -54.632
Base-Backbone interact. energy: 0.283
local terms energy: -57.388962
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -9.705
flat angles C4'-P-C4' energy: -10.017
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -15.267
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: 3
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -224.522277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.522277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.587830 (E_RNA)
where:
Base-Base interactions energy: -153.355
where: short stacking energy: -63.191
Base-Backbone interact. energy: -0.016
local terms energy: -71.217053
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -16.861
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: 307
Temperature: 0.950000
Total energy: -215.387880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.387880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.486621 (E_RNA)
where:
Base-Base interactions energy: -147.773
where: short stacking energy: -60.493
Base-Backbone interact. energy: -0.076
local terms energy: -67.637526
where:
bonds (distance) C4'-P energy: -11.598
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -14.502
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: 3, replica: 9
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -214.033631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.033631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.102462 (E_RNA)
where:
Base-Base interactions energy: -151.040
where: short stacking energy: -64.730
Base-Backbone interact. energy: -0.006
local terms energy: -63.056528
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -11.912
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -13.286
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: 307
Temperature: 1.050000
Total energy: -217.951565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.951565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.183406 (E_RNA)
where:
Base-Base interactions energy: -151.286
where: short stacking energy: -62.061
Base-Backbone interact. energy: -0.047
local terms energy: -66.850113
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -11.462
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -18.061
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: 5, replica: 8
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -208.782983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.782983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.849648 (E_RNA)
where:
Base-Base interactions energy: -147.605
where: short stacking energy: -58.054
Base-Backbone interact. energy: 0.494
local terms energy: -61.738466
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: -14.830
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: 1
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -203.560706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.560706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.804734 (E_RNA)
where:
Base-Base interactions energy: -149.796
where: short stacking energy: -62.364
Base-Backbone interact. energy: -0.078
local terms energy: -53.931133
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -8.895
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -3.313
tors. eta vs tors. theta energy: -13.660
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: 7, replica: 7
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -199.195773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.195773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.243000 (E_RNA)
where:
Base-Base interactions energy: -141.582
where: short stacking energy: -58.628
Base-Backbone interact. energy: -0.003
local terms energy: -57.657254
where:
bonds (distance) C4'-P energy: -8.811
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -9.810
flat angles P-C4'-P energy: -7.253
tors. eta vs tors. theta energy: -16.948
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: 5
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -195.661691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.661691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.739396 (E_RNA)
where:
Base-Base interactions energy: -132.468
where: short stacking energy: -52.671
Base-Backbone interact. energy: -0.710
local terms energy: -62.561365
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -12.150
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -16.096
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: 307
Temperature: 1.300000
Total energy: -182.083618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.083618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.335591 (E_RNA)
where:
Base-Base interactions energy: -126.698
where: short stacking energy: -57.265
Base-Backbone interact. energy: -0.003
local terms energy: -63.634696
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -9.489
flat angles C4'-P-C4' energy: -13.317
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -16.596
Dist. restrs. and SS energy: 8.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -190.595441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.595441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.707279 (E_RNA)
where:
Base-Base interactions energy: -134.178
where: short stacking energy: -53.919
Base-Backbone interact. energy: -0.287
local terms energy: -56.241619
where:
bonds (distance) C4'-P energy: -10.128
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -8.038
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: 3
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -210.175103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.175103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.216555 (E_RNA)
where:
Base-Base interactions energy: -155.079
where: short stacking energy: -62.242
Base-Backbone interact. energy: -0.117
local terms energy: -55.021061
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -11.659
flat angles C4'-P-C4' energy: -10.698
flat angles P-C4'-P energy: -6.244
tors. eta vs tors. theta energy: -14.536
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: 308
Temperature: 0.950000
Total energy: -213.058198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.058198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.138017 (E_RNA)
where:
Base-Base interactions energy: -142.226
where: short stacking energy: -58.485
Base-Backbone interact. energy: -0.131
local terms energy: -70.781005
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -13.351
tors. eta vs tors. theta energy: -16.319
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: 308
Temperature: 1.000000
Total energy: -220.807700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.807700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.844647 (E_RNA)
where:
Base-Base interactions energy: -165.042
where: short stacking energy: -66.197
Base-Backbone interact. energy: -0.003
local terms energy: -55.799432
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -8.135
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -6.132
tors. eta vs tors. theta energy: -16.967
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: 9
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -210.151889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.151889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.197448 (E_RNA)
where:
Base-Base interactions energy: -148.465
where: short stacking energy: -55.725
Base-Backbone interact. energy: -0.068
local terms energy: -61.664512
where:
bonds (distance) C4'-P energy: -10.914
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -10.672
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: 5, replica: 8
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -212.056426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.056426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.056426 (E_RNA)
where:
Base-Base interactions energy: -152.137
where: short stacking energy: -61.150
Base-Backbone interact. energy: -0.099
local terms energy: -59.819865
where:
bonds (distance) C4'-P energy: -8.095
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -7.939
tors. eta vs tors. theta energy: -15.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -208.563129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.563129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.587793 (E_RNA)
where:
Base-Base interactions energy: -145.550
where: short stacking energy: -61.696
Base-Backbone interact. energy: 0.502
local terms energy: -63.539399
where:
bonds (distance) C4'-P energy: -9.587
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: -18.035
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: 5
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -205.611300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.611300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.672971 (E_RNA)
where:
Base-Base interactions energy: -148.979
where: short stacking energy: -52.087
Base-Backbone interact. energy: -0.135
local terms energy: -56.558351
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -10.417
flat angles P-C4'-P energy: -2.976
tors. eta vs tors. theta energy: -16.109
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: 308
Temperature: 1.250000
Total energy: -197.206456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.206456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.251815 (E_RNA)
where:
Base-Base interactions energy: -143.521
where: short stacking energy: -56.315
Base-Backbone interact. energy: -0.265
local terms energy: -53.465718
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -8.113
flat angles C4'-P-C4' energy: -11.211
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: -14.122
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: 6
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -193.018249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.018249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.108543 (E_RNA)
where:
Base-Base interactions energy: -135.478
where: short stacking energy: -47.445
Base-Backbone interact. energy: -0.061
local terms energy: -57.569975
where:
bonds (distance) C4'-P energy: -10.983
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -4.545
tors. eta vs tors. theta energy: -14.928
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: 4
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -172.137405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.137405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.326364 (E_RNA)
where:
Base-Base interactions energy: -120.043
where: short stacking energy: -50.352
Base-Backbone interact. energy: -0.274
local terms energy: -59.009742
where:
bonds (distance) C4'-P energy: -10.622
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -7.420
tors. eta vs tors. theta energy: -12.952
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: 3
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -220.165629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.165629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.249684 (E_RNA)
where:
Base-Base interactions energy: -160.475
where: short stacking energy: -62.326
Base-Backbone interact. energy: -0.069
local terms energy: -59.705698
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -12.660
flat angles C4'-P-C4' energy: -12.146
flat angles P-C4'-P energy: -5.258
tors. eta vs tors. theta energy: -14.140
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: 309
Temperature: 0.950000
Total energy: -220.177835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.177835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.237131 (E_RNA)
where:
Base-Base interactions energy: -154.616
where: short stacking energy: -67.023
Base-Backbone interact. energy: -0.165
local terms energy: -65.456456
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -8.687
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -18.585
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: 3, replica: 2
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -214.493227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.493227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.493227 (E_RNA)
where:
Base-Base interactions energy: -155.129
where: short stacking energy: -62.311
Base-Backbone interact. energy: 0.055
local terms energy: -59.419568
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -13.988
flat angles P-C4'-P energy: -4.337
tors. eta vs tors. theta energy: -13.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -211.215656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.215656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.215656 (E_RNA)
where:
Base-Base interactions energy: -151.636
where: short stacking energy: -69.737
Base-Backbone interact. energy: -0.002
local terms energy: -59.577347
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -11.200
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -16.148
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -218.962877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.962877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.012718 (E_RNA)
where:
Base-Base interactions energy: -162.077
where: short stacking energy: -64.074
Base-Backbone interact. energy: -0.003
local terms energy: -56.932970
where:
bonds (distance) C4'-P energy: -11.337
bonds (distance) P-C4' energy: -12.645
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -1.011
tors. eta vs tors. theta energy: -17.987
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: 5
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -202.774613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.774613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.788058 (E_RNA)
where:
Base-Base interactions energy: -145.836
where: short stacking energy: -58.805
Base-Backbone interact. energy: -0.002
local terms energy: -56.949891
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -12.067
flat angles C4'-P-C4' energy: -9.353
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: -15.479
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: 1
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -199.052470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.052470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.264533 (E_RNA)
where:
Base-Base interactions energy: -140.406
where: short stacking energy: -59.492
Base-Backbone interact. energy: -0.112
local terms energy: -58.746474
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -9.595
flat angles C4'-P-C4' energy: -11.784
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -14.551
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: 6
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -210.240525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.240525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.356836 (E_RNA)
where:
Base-Base interactions energy: -142.853
where: short stacking energy: -64.723
Base-Backbone interact. energy: -0.248
local terms energy: -67.255192
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -11.386
flat angles C4'-P-C4' energy: -13.275
flat angles P-C4'-P energy: -10.736
tors. eta vs tors. theta energy: -18.612
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: 7
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -196.783651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.783651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.859967 (E_RNA)
where:
Base-Base interactions energy: -134.479
where: short stacking energy: -54.016
Base-Backbone interact. energy: -0.331
local terms energy: -62.050250
where:
bonds (distance) C4'-P energy: -11.427
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -10.275
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: 309
Temperature: 1.350000
Total energy: -176.352413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.352413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.397103 (E_RNA)
where:
Base-Base interactions energy: -119.065
where: short stacking energy: -46.408
Base-Backbone interact. energy: -0.447
local terms energy: -63.884286
where:
bonds (distance) C4'-P energy: -9.466
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -9.947
tors. eta vs tors. theta energy: -16.086
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: 3
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -237.048750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.048750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.052157 (E_RNA)
where:
Base-Base interactions energy: -175.568
where: short stacking energy: -68.136
Base-Backbone interact. energy: -0.006
local terms energy: -61.477586
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -11.496
flat angles C4'-P-C4' energy: -12.319
flat angles P-C4'-P energy: -2.974
tors. eta vs tors. theta energy: -19.821
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: 310
Temperature: 0.950000
Total energy: -222.030931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.030931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.037502 (E_RNA)
where:
Base-Base interactions energy: -154.783
where: short stacking energy: -66.845
Base-Backbone interact. energy: -0.046
local terms energy: -67.208018
where:
bonds (distance) C4'-P energy: -10.649
bonds (distance) P-C4' energy: -12.111
flat angles C4'-P-C4' energy: -15.248
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: -16.341
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: 310
Temperature: 1.000000
Total energy: -210.356086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.356086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.385207 (E_RNA)
where:
Base-Base interactions energy: -141.698
where: short stacking energy: -53.965
Base-Backbone interact. energy: -0.581
local terms energy: -68.106668
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -15.992
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -14.645
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: 2
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -213.873659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.873659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.887549 (E_RNA)
where:
Base-Base interactions energy: -147.039
where: short stacking energy: -58.049
Base-Backbone interact. energy: -0.000
local terms energy: -66.848587
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -17.126
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: 5, replica: 5
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -211.019483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.019483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.092166 (E_RNA)
where:
Base-Base interactions energy: -144.284
where: short stacking energy: -59.453
Base-Backbone interact. energy: -0.272
local terms energy: -66.536244
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -11.124
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -16.612
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: 8
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -212.986724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.986724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.152312 (E_RNA)
where:
Base-Base interactions energy: -161.599
where: short stacking energy: -63.044
Base-Backbone interact. energy: -0.010
local terms energy: -51.543733
where:
bonds (distance) C4'-P energy: -9.824
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -11.679
flat angles P-C4'-P energy: -3.534
tors. eta vs tors. theta energy: -13.633
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: 6
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -201.560737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.560737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.564493 (E_RNA)
where:
Base-Base interactions energy: -140.905
where: short stacking energy: -56.283
Base-Backbone interact. energy: -0.190
local terms energy: -60.469520
where:
bonds (distance) C4'-P energy: -10.049
bonds (distance) P-C4' energy: -10.110
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -9.436
tors. eta vs tors. theta energy: -17.545
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: 8, replica: 1
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -196.944684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.944684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.335642 (E_RNA)
where:
Base-Base interactions energy: -134.681
where: short stacking energy: -53.192
Base-Backbone interact. energy: -0.258
local terms energy: -62.396817
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -11.489
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -8.045
tors. eta vs tors. theta energy: -14.592
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: 9, replica: 7
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -194.452487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.452487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.841512 (E_RNA)
where:
Base-Base interactions energy: -135.223
where: short stacking energy: -55.339
Base-Backbone interact. energy: -0.003
local terms energy: -59.615501
where:
bonds (distance) C4'-P energy: -11.108
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -4.072
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -17.522
Dist. restrs. and SS energy: 0.389 (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: 4
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -170.706461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.706461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.692239 (E_RNA)
where:
Base-Base interactions energy: -124.455
where: short stacking energy: -50.115
Base-Backbone interact. energy: -0.236
local terms energy: -54.000537
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -11.718
flat angles C4'-P-C4' energy: -10.634
flat angles P-C4'-P energy: -4.459
tors. eta vs tors. theta energy: -15.944
Dist. restrs. and SS energy: 7.986 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -239.491483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.491483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.530419 (E_RNA)
where:
Base-Base interactions energy: -172.428
where: short stacking energy: -70.137
Base-Backbone interact. energy: -0.042
local terms energy: -67.059776
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -6.841
tors. eta vs tors. theta energy: -17.931
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: 9
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -219.618799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.618799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.722020 (E_RNA)
where:
Base-Base interactions energy: -150.845
where: short stacking energy: -64.885
Base-Backbone interact. energy: -0.000
local terms energy: -68.876160
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -16.302
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: 10
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -215.466899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.466899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.520044 (E_RNA)
where:
Base-Base interactions energy: -145.075
where: short stacking energy: -59.376
Base-Backbone interact. energy: -0.006
local terms energy: -70.439189
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -15.418
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -18.888
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: 2
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -210.343356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.343356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.350042 (E_RNA)
where:
Base-Base interactions energy: -147.921
where: short stacking energy: -58.741
Base-Backbone interact. energy: 0.541
local terms energy: -62.970197
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -13.265
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: -14.037
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: 5
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -207.246500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.246500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.455308 (E_RNA)
where:
Base-Base interactions energy: -145.092
where: short stacking energy: -62.713
Base-Backbone interact. energy: 0.713
local terms energy: -63.075857
where:
bonds (distance) C4'-P energy: -9.643
bonds (distance) P-C4' energy: -13.124
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -15.937
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: 6, replica: 8
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -199.883917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.883917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.902554 (E_RNA)
where:
Base-Base interactions energy: -146.430
where: short stacking energy: -55.293
Base-Backbone interact. energy: -0.001
local terms energy: -53.471919
where:
bonds (distance) C4'-P energy: -8.481
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -4.931
tors. eta vs tors. theta energy: -10.877
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: 6
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -203.693005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.693005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.871258 (E_RNA)
where:
Base-Base interactions energy: -143.375
where: short stacking energy: -58.795
Base-Backbone interact. energy: 0.065
local terms energy: -60.561489
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -11.006
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -13.526
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: 8, replica: 7
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -197.216127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.216127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.266586 (E_RNA)
where:
Base-Base interactions energy: -134.735
where: short stacking energy: -52.721
Base-Backbone interact. energy: -0.000
local terms energy: -62.531311
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -7.057
tors. eta vs tors. theta energy: -15.441
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: 1
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -196.145057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.145057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.204188 (E_RNA)
where:
Base-Base interactions energy: -147.425
where: short stacking energy: -58.736
Base-Backbone interact. energy: -0.055
local terms energy: -48.723837
where:
bonds (distance) C4'-P energy: -9.151
bonds (distance) P-C4' energy: -10.418
flat angles C4'-P-C4' energy: -10.522
flat angles P-C4'-P energy: -4.559
tors. eta vs tors. theta energy: -14.074
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: 10, replica: 4
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -175.401441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.401441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.697229 (E_RNA)
where:
Base-Base interactions energy: -129.173
where: short stacking energy: -51.445
Base-Backbone interact. energy: 0.504
local terms energy: -56.028037
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -9.014
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -9.098
Dist. restrs. and SS energy: 9.296 (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: 3
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -227.910285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.910285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.910285 (E_RNA)
where:
Base-Base interactions energy: -168.542
where: short stacking energy: -63.930
Base-Backbone interact. energy: -0.088
local terms energy: -59.280435
where:
bonds (distance) C4'-P energy: -10.795
bonds (distance) P-C4' energy: -13.186
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -4.969
tors. eta vs tors. theta energy: -17.528
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -227.575901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.575901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.579215 (E_RNA)
where:
Base-Base interactions energy: -167.100
where: short stacking energy: -64.638
Base-Backbone interact. energy: -0.156
local terms energy: -60.323292
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -11.336
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -4.458
tors. eta vs tors. theta energy: -16.639
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: 2
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -213.673999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.673999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.790715 (E_RNA)
where:
Base-Base interactions energy: -149.037
where: short stacking energy: -62.922
Base-Backbone interact. energy: -0.007
local terms energy: -64.746635
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -14.886
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: 10
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -207.655396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.655396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.062982 (E_RNA)
where:
Base-Base interactions energy: -147.304
where: short stacking energy: -63.252
Base-Backbone interact. energy: 1.004
local terms energy: -61.763500
where:
bonds (distance) C4'-P energy: -8.343
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -16.918
Dist. restrs. and SS energy: 0.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -213.138913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.138913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.168807 (E_RNA)
where:
Base-Base interactions energy: -156.961
where: short stacking energy: -60.347
Base-Backbone interact. energy: -0.025
local terms energy: -56.182970
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -11.756
flat angles C4'-P-C4' energy: -8.261
flat angles P-C4'-P energy: -6.932
tors. eta vs tors. theta energy: -14.295
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: 8
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -201.599205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.599205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.764596 (E_RNA)
where:
Base-Base interactions energy: -142.059
where: short stacking energy: -56.790
Base-Backbone interact. energy: -0.115
local terms energy: -59.590195
where:
bonds (distance) C4'-P energy: -11.523
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -11.105
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -12.806
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: 7, replica: 6
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -197.822127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.822127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.874031 (E_RNA)
where:
Base-Base interactions energy: -133.917
where: short stacking energy: -54.324
Base-Backbone interact. energy: -0.010
local terms energy: -63.946819
where:
bonds (distance) C4'-P energy: -8.935
bonds (distance) P-C4' energy: -14.178
flat angles C4'-P-C4' energy: -12.684
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -17.410
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: 7
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -202.349875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.349875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.461365 (E_RNA)
where:
Base-Base interactions energy: -142.829
where: short stacking energy: -56.173
Base-Backbone interact. energy: -0.111
local terms energy: -59.521526
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -10.102
flat angles C4'-P-C4' energy: -11.204
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -13.751
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: 1
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -198.806409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.806409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.806409 (E_RNA)
where:
Base-Base interactions energy: -140.982
where: short stacking energy: -55.407
Base-Backbone interact. energy: -0.292
local terms energy: -57.532095
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -9.201
flat angles C4'-P-C4' energy: -12.553
flat angles P-C4'-P energy: -6.446
tors. eta vs tors. theta energy: -16.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -179.862565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.862565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.571196 (E_RNA)
where:
Base-Base interactions energy: -124.631
where: short stacking energy: -56.291
Base-Backbone interact. energy: -0.004
local terms energy: -62.935299
where:
bonds (distance) C4'-P energy: -9.888
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -12.692
flat angles P-C4'-P energy: -11.276
tors. eta vs tors. theta energy: -16.018
Dist. restrs. and SS energy: 7.709 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -219.822222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.822222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.866290 (E_RNA)
where:
Base-Base interactions energy: -149.379
where: short stacking energy: -60.408
Base-Backbone interact. energy: -0.125
local terms energy: -70.362110
where:
bonds (distance) C4'-P energy: -13.045
bonds (distance) P-C4' energy: -12.738
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -19.308
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: 2
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -210.106609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.106609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.176405 (E_RNA)
where:
Base-Base interactions energy: -140.379
where: short stacking energy: -56.217
Base-Backbone interact. energy: -0.576
local terms energy: -69.221222
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -16.235
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -15.160
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: 9
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -213.030517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.030517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.030517 (E_RNA)
where:
Base-Base interactions energy: -158.052
where: short stacking energy: -59.247
Base-Backbone interact. energy: -0.263
local terms energy: -54.715748
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -10.609
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -5.702
tors. eta vs tors. theta energy: -13.403
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -215.245828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.245828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.256146 (E_RNA)
where:
Base-Base interactions energy: -145.058
where: short stacking energy: -65.268
Base-Backbone interact. energy: -0.217
local terms energy: -69.982054
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -13.508
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -16.735
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: 10
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -208.202644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.202644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.220242 (E_RNA)
where:
Base-Base interactions energy: -150.674
where: short stacking energy: -58.595
Base-Backbone interact. energy: 1.701
local terms energy: -59.247681
where:
bonds (distance) C4'-P energy: -7.437
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -13.546
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: 6
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -198.814115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.814115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.890384 (E_RNA)
where:
Base-Base interactions energy: -141.202
where: short stacking energy: -56.928
Base-Backbone interact. energy: -0.462
local terms energy: -57.226225
where:
bonds (distance) C4'-P energy: -9.114
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -11.779
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: 8
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -199.073501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.073501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.155338 (E_RNA)
where:
Base-Base interactions energy: -141.978
where: short stacking energy: -54.759
Base-Backbone interact. energy: -0.051
local terms energy: -57.126019
where:
bonds (distance) C4'-P energy: -8.377
bonds (distance) P-C4' energy: -14.063
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -6.931
tors. eta vs tors. theta energy: -14.162
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: 8, replica: 7
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -200.728672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.728672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.843275 (E_RNA)
where:
Base-Base interactions energy: -146.530
where: short stacking energy: -57.429
Base-Backbone interact. energy: -0.005
local terms energy: -54.308856
where:
bonds (distance) C4'-P energy: -4.746
bonds (distance) P-C4' energy: -10.380
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -14.732
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: 9, replica: 1
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -196.941910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.941910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.969836 (E_RNA)
where:
Base-Base interactions energy: -135.516
where: short stacking energy: -48.908
Base-Backbone interact. energy: -0.195
local terms energy: -61.258981
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -11.596
flat angles P-C4'-P energy: -7.115
tors. eta vs tors. theta energy: -14.604
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: 10, replica: 4
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -172.245542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.245542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.647045 (E_RNA)
where:
Base-Base interactions energy: -122.865
where: short stacking energy: -47.218
Base-Backbone interact. energy: -0.693
local terms energy: -56.089293
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -12.306
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -12.911
Dist. restrs. and SS energy: 7.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -224.260764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.260764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.368804 (E_RNA)
where:
Base-Base interactions energy: -156.480
where: short stacking energy: -70.117
Base-Backbone interact. energy: -0.000
local terms energy: -67.888248
where:
bonds (distance) C4'-P energy: -11.674
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -17.677
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: 3
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -216.156482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.156482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.181091 (E_RNA)
where:
Base-Base interactions energy: -152.158
where: short stacking energy: -63.578
Base-Backbone interact. energy: -0.001
local terms energy: -64.021704
where:
bonds (distance) C4'-P energy: -10.683
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -15.279
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: 5
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -213.422944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.422944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.493341 (E_RNA)
where:
Base-Base interactions energy: -147.088
where: short stacking energy: -63.790
Base-Backbone interact. energy: -0.019
local terms energy: -66.386586
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -11.786
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -16.452
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: 314
Temperature: 1.050000
Total energy: -212.055525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.055525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.082439 (E_RNA)
where:
Base-Base interactions energy: -147.004
where: short stacking energy: -60.319
Base-Backbone interact. energy: -0.000
local terms energy: -65.077786
where:
bonds (distance) C4'-P energy: -8.757
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -12.123
flat angles P-C4'-P energy: -11.285
tors. eta vs tors. theta energy: -19.043
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: 10
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -202.225469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.225469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.375556 (E_RNA)
where:
Base-Base interactions energy: -138.108
where: short stacking energy: -54.396
Base-Backbone interact. energy: 0.773
local terms energy: -65.040296
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -10.067
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -15.946
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: 6, replica: 6
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -211.563773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.563773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.607636 (E_RNA)
where:
Base-Base interactions energy: -142.156
where: short stacking energy: -57.650
Base-Backbone interact. energy: 0.396
local terms energy: -69.847622
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -15.664
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: 7
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -195.669290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.669290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.736624 (E_RNA)
where:
Base-Base interactions energy: -141.838
where: short stacking energy: -53.699
Base-Backbone interact. energy: -0.078
local terms energy: -53.821293
where:
bonds (distance) C4'-P energy: -11.651
bonds (distance) P-C4' energy: -9.988
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -6.969
tors. eta vs tors. theta energy: -12.865
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: 8, replica: 8
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -196.037949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.037949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.284778 (E_RNA)
where:
Base-Base interactions energy: -144.789
where: short stacking energy: -59.626
Base-Backbone interact. energy: -0.032
local terms energy: -51.463662
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -4.985
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -7.113
tors. eta vs tors. theta energy: -13.642
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: 9, replica: 1
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -195.505711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.505711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.538715 (E_RNA)
where:
Base-Base interactions energy: -136.943
where: short stacking energy: -54.724
Base-Backbone interact. energy: 0.268
local terms energy: -58.863942
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -3.505
tors. eta vs tors. theta energy: -14.952
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: 314
Temperature: 1.350000
Total energy: -179.426662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.426662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.999562 (E_RNA)
where:
Base-Base interactions energy: -136.770
where: short stacking energy: -55.854
Base-Backbone interact. energy: 1.069
local terms energy: -51.298572
where:
bonds (distance) C4'-P energy: -7.942
bonds (distance) P-C4' energy: -11.788
flat angles C4'-P-C4' energy: -9.419
flat angles P-C4'-P energy: -7.881
tors. eta vs tors. theta energy: -14.269
Dist. restrs. and SS energy: 7.573 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -226.681028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.681028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.853163 (E_RNA)
where:
Base-Base interactions energy: -161.307
where: short stacking energy: -65.752
Base-Backbone interact. energy: -0.001
local terms energy: -65.545143
where:
bonds (distance) C4'-P energy: -12.652
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -11.645
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -18.529
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: 2, replica: 5
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -220.142331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.142331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.142331 (E_RNA)
where:
Base-Base interactions energy: -160.258
where: short stacking energy: -63.678
Base-Backbone interact. energy: -0.048
local terms energy: -59.836652
where:
bonds (distance) C4'-P energy: -10.546
bonds (distance) P-C4' energy: -11.876
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -6.272
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: 3
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -210.372624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.372624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.385375 (E_RNA)
where:
Base-Base interactions energy: -146.221
where: short stacking energy: -66.603
Base-Backbone interact. energy: -0.477
local terms energy: -63.687112
where:
bonds (distance) C4'-P energy: -8.224
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -5.965
tors. eta vs tors. theta energy: -19.151
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: 10
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -208.631942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.631942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.654195 (E_RNA)
where:
Base-Base interactions energy: -148.398
where: short stacking energy: -61.160
Base-Backbone interact. energy: -0.009
local terms energy: -60.247288
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -9.897
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -5.990
tors. eta vs tors. theta energy: -17.250
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: 9
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -213.796205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.796205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.836981 (E_RNA)
where:
Base-Base interactions energy: -147.429
where: short stacking energy: -60.529
Base-Backbone interact. energy: -0.011
local terms energy: -66.396793
where:
bonds (distance) C4'-P energy: -10.165
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -12.246
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -17.917
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: 7
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -208.978617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.978617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.020551 (E_RNA)
where:
Base-Base interactions energy: -143.171
where: short stacking energy: -57.990
Base-Backbone interact. energy: -0.351
local terms energy: -65.498141
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -13.998
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: 315
Temperature: 1.200000
Total energy: -200.252640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.252640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.376910 (E_RNA)
where:
Base-Base interactions energy: -139.991
where: short stacking energy: -60.327
Base-Backbone interact. energy: -0.001
local terms energy: -60.385040
where:
bonds (distance) C4'-P energy: -8.152
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -6.810
tors. eta vs tors. theta energy: -16.058
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: 8, replica: 1
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -197.945318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.945318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.150838 (E_RNA)
where:
Base-Base interactions energy: -136.138
where: short stacking energy: -51.328
Base-Backbone interact. energy: -0.070
local terms energy: -61.943040
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -11.352
flat angles C4'-P-C4' energy: -11.757
flat angles P-C4'-P energy: -8.220
tors. eta vs tors. theta energy: -15.764
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: 8
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -194.168378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.168378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.168378 (E_RNA)
where:
Base-Base interactions energy: -143.538
where: short stacking energy: -57.037
Base-Backbone interact. energy: -0.001
local terms energy: -50.629421
where:
bonds (distance) C4'-P energy: -9.536
bonds (distance) P-C4' energy: -10.378
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -6.752
tors. eta vs tors. theta energy: -11.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -173.828095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.828095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.065284 (E_RNA)
where:
Base-Base interactions energy: -123.209
where: short stacking energy: -51.490
Base-Backbone interact. energy: -0.385
local terms energy: -58.472280
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -12.503
flat angles P-C4'-P energy: -4.304
tors. eta vs tors. theta energy: -13.714
Dist. restrs. and SS energy: 8.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -226.085358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.085358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.216709 (E_RNA)
where:
Base-Base interactions energy: -165.253
where: short stacking energy: -68.936
Base-Backbone interact. energy: -0.045
local terms energy: -60.918938
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -4.441
tors. eta vs tors. theta energy: -16.084
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: 5
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -229.465505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.465505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.506527 (E_RNA)
where:
Base-Base interactions energy: -167.273
where: short stacking energy: -67.006
Base-Backbone interact. energy: -0.617
local terms energy: -61.616132
where:
bonds (distance) C4'-P energy: -11.537
bonds (distance) P-C4' energy: -12.869
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -7.014
tors. eta vs tors. theta energy: -15.166
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: 316
Temperature: 1.000000
Total energy: -215.786693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.786693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.850513 (E_RNA)
where:
Base-Base interactions energy: -153.067
where: short stacking energy: -59.080
Base-Backbone interact. energy: -0.088
local terms energy: -62.695291
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -11.355
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: 3
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -211.806020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.806020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.850822 (E_RNA)
where:
Base-Base interactions energy: -147.030
where: short stacking energy: -57.986
Base-Backbone interact. energy: 0.843
local terms energy: -65.663704
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -17.579
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: 7
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -204.589623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.589623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.617565 (E_RNA)
where:
Base-Base interactions energy: -146.433
where: short stacking energy: -62.925
Base-Backbone interact. energy: -0.078
local terms energy: -58.106317
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -4.589
tors. eta vs tors. theta energy: -13.552
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: 9
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -204.424681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.424681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.544888 (E_RNA)
where:
Base-Base interactions energy: -143.337
where: short stacking energy: -57.414
Base-Backbone interact. energy: 0.043
local terms energy: -61.250780
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -11.927
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -7.135
tors. eta vs tors. theta energy: -13.446
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: 1
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -200.477260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.477260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.526221 (E_RNA)
where:
Base-Base interactions energy: -141.161
where: short stacking energy: -57.916
Base-Backbone interact. energy: -1.157
local terms energy: -58.208512
where:
bonds (distance) C4'-P energy: -7.307
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -15.939
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: 6
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -196.699728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.699728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.744151 (E_RNA)
where:
Base-Base interactions energy: -143.241
where: short stacking energy: -57.846
Base-Backbone interact. energy: -0.046
local terms energy: -53.456974
where:
bonds (distance) C4'-P energy: -7.441
bonds (distance) P-C4' energy: -10.958
flat angles C4'-P-C4' energy: -11.308
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -13.722
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: 316
Temperature: 1.300000
Total energy: -173.437307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.437307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.873809 (E_RNA)
where:
Base-Base interactions energy: -124.781
where: short stacking energy: -48.525
Base-Backbone interact. energy: -0.005
local terms energy: -55.087636
where:
bonds (distance) C4'-P energy: -8.312
bonds (distance) P-C4' energy: -11.600
flat angles C4'-P-C4' energy: -9.193
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -14.772
Dist. restrs. and SS energy: 6.437 (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: 8
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -194.318131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.318131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.400240 (E_RNA)
where:
Base-Base interactions energy: -137.154
where: short stacking energy: -61.240
Base-Backbone interact. energy: -0.002
local terms energy: -57.243893
where:
bonds (distance) C4'-P energy: -10.191
bonds (distance) P-C4' energy: -12.745
flat angles C4'-P-C4' energy: -11.135
flat angles P-C4'-P energy: -5.045
tors. eta vs tors. theta energy: -18.128
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: 1, replica: 2
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -229.731075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.731075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.778506 (E_RNA)
where:
Base-Base interactions energy: -163.723
where: short stacking energy: -66.327
Base-Backbone interact. energy: -0.018
local terms energy: -66.037445
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -5.921
tors. eta vs tors. theta energy: -19.146
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: 10
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -225.518327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.518327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.572134 (E_RNA)
where:
Base-Base interactions energy: -165.216
where: short stacking energy: -63.577
Base-Backbone interact. energy: -0.400
local terms energy: -59.956284
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -16.010
flat angles C4'-P-C4' energy: -11.346
flat angles P-C4'-P energy: -5.931
tors. eta vs tors. theta energy: -14.786
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: 5
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -215.215071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.215071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.366544 (E_RNA)
where:
Base-Base interactions energy: -156.299
where: short stacking energy: -64.976
Base-Backbone interact. energy: -0.103
local terms energy: -58.964111
where:
bonds (distance) C4'-P energy: -11.195
bonds (distance) P-C4' energy: -14.977
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -3.571
tors. eta vs tors. theta energy: -16.432
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: 4, replica: 7
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -209.252704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.252704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.368311 (E_RNA)
where:
Base-Base interactions energy: -150.104
where: short stacking energy: -60.912
Base-Backbone interact. energy: -0.003
local terms energy: -59.260881
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -12.190
flat angles P-C4'-P energy: -7.616
tors. eta vs tors. theta energy: -13.122
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: 3
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -210.509672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.509672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.548028 (E_RNA)
where:
Base-Base interactions energy: -145.939
where: short stacking energy: -57.280
Base-Backbone interact. energy: -0.094
local terms energy: -64.514505
where:
bonds (distance) C4'-P energy: -12.546
bonds (distance) P-C4' energy: -11.941
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -14.427
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: 317
Temperature: 1.150000
Total energy: -198.119424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.119424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.295979 (E_RNA)
where:
Base-Base interactions energy: -136.965
where: short stacking energy: -55.135
Base-Backbone interact. energy: -0.055
local terms energy: -61.276261
where:
bonds (distance) C4'-P energy: -10.807
bonds (distance) P-C4' energy: -13.291
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -8.224
tors. eta vs tors. theta energy: -14.225
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: 1
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -205.138212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.138212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.274268 (E_RNA)
where:
Base-Base interactions energy: -146.076
where: short stacking energy: -61.861
Base-Backbone interact. energy: -0.217
local terms energy: -58.981052
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -12.443
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -14.093
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: 8, replica: 4
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -177.986830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.986830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.629412 (E_RNA)
where:
Base-Base interactions energy: -121.032
where: short stacking energy: -51.103
Base-Backbone interact. energy: -1.104
local terms energy: -63.493347
where:
bonds (distance) C4'-P energy: -11.903
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -14.147
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: 9, replica: 6
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -196.655212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.655212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.801379 (E_RNA)
where:
Base-Base interactions energy: -139.330
where: short stacking energy: -53.925
Base-Backbone interact. energy: 0.251
local terms energy: -57.722203
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -10.713
flat angles C4'-P-C4' energy: -12.880
flat angles P-C4'-P energy: -6.706
tors. eta vs tors. theta energy: -13.611
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: 8
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -195.729309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.729309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.795245 (E_RNA)
where:
Base-Base interactions energy: -145.499
where: short stacking energy: -62.235
Base-Backbone interact. energy: 0.752
local terms energy: -51.047369
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -9.011
flat angles C4'-P-C4' energy: -9.704
flat angles P-C4'-P energy: -8.128
tors. eta vs tors. theta energy: -12.471
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: 2
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -229.311798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.311798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.323952 (E_RNA)
where:
Base-Base interactions energy: -166.483
where: short stacking energy: -66.358
Base-Backbone interact. energy: -0.061
local terms energy: -62.779321
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -3.509
tors. eta vs tors. theta energy: -18.014
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: 10
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -223.177979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.177979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.245461 (E_RNA)
where:
Base-Base interactions energy: -156.358
where: short stacking energy: -59.774
Base-Backbone interact. energy: -0.063
local terms energy: -66.824016
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -7.593
tors. eta vs tors. theta energy: -16.861
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: 5
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -211.719616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.719616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.719616 (E_RNA)
where:
Base-Base interactions energy: -152.737
where: short stacking energy: -60.264
Base-Backbone interact. energy: -0.155
local terms energy: -58.826832
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -1.346
tors. eta vs tors. theta energy: -16.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -210.881772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.881772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.027480 (E_RNA)
where:
Base-Base interactions energy: -153.385
where: short stacking energy: -61.725
Base-Backbone interact. energy: 0.963
local terms energy: -58.604868
where:
bonds (distance) C4'-P energy: -9.181
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -3.925
tors. eta vs tors. theta energy: -16.780
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: 9
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -210.429639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.429639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.506128 (E_RNA)
where:
Base-Base interactions energy: -152.475
where: short stacking energy: -61.027
Base-Backbone interact. energy: 0.210
local terms energy: -58.240876
where:
bonds (distance) C4'-P energy: -10.377
bonds (distance) P-C4' energy: -10.818
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -15.218
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: 3
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -209.367293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.367293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.431831 (E_RNA)
where:
Base-Base interactions energy: -150.630
where: short stacking energy: -56.925
Base-Backbone interact. energy: 0.287
local terms energy: -59.088596
where:
bonds (distance) C4'-P energy: -13.073
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -9.084
flat angles P-C4'-P energy: -7.719
tors. eta vs tors. theta energy: -14.399
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: 1
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -199.289096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.289096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.361026 (E_RNA)
where:
Base-Base interactions energy: -139.255
where: short stacking energy: -55.601
Base-Backbone interact. energy: -0.014
local terms energy: -60.091702
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -12.149
flat angles C4'-P-C4' energy: -8.350
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -16.308
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: 4
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -174.249497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.249497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.744203 (E_RNA)
where:
Base-Base interactions energy: -131.818
where: short stacking energy: -58.110
Base-Backbone interact. energy: -0.065
local terms energy: -49.861718
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -4.381
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -5.296
tors. eta vs tors. theta energy: -14.345
Dist. restrs. and SS energy: 7.495 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -189.169119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.169119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.207055 (E_RNA)
where:
Base-Base interactions energy: -132.864
where: short stacking energy: -53.474
Base-Backbone interact. energy: -0.283
local terms energy: -56.059826
where:
bonds (distance) C4'-P energy: -7.825
bonds (distance) P-C4' energy: -11.261
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -8.285
tors. eta vs tors. theta energy: -14.742
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: 6
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -195.500286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.500286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.559191 (E_RNA)
where:
Base-Base interactions energy: -131.809
where: short stacking energy: -50.920
Base-Backbone interact. energy: -0.042
local terms energy: -63.708647
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -11.958
flat angles P-C4'-P energy: -7.989
tors. eta vs tors. theta energy: -15.371
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: 2
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -229.352419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.352419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.449104 (E_RNA)
where:
Base-Base interactions energy: -164.991
where: short stacking energy: -63.211
Base-Backbone interact. energy: -0.501
local terms energy: -63.956976
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -7.555
tors. eta vs tors. theta energy: -17.257
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: 319
Temperature: 0.950000
Total energy: -226.719993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.719993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.795608 (E_RNA)
where:
Base-Base interactions energy: -170.017
where: short stacking energy: -66.274
Base-Backbone interact. energy: -1.084
local terms energy: -55.694054
where:
bonds (distance) C4'-P energy: -12.172
bonds (distance) P-C4' energy: -14.439
flat angles C4'-P-C4' energy: -11.870
flat angles P-C4'-P energy: -2.594
tors. eta vs tors. theta energy: -14.619
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: 5
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -218.058353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.058353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.113900 (E_RNA)
where:
Base-Base interactions energy: -149.062
where: short stacking energy: -63.835
Base-Backbone interact. energy: -0.123
local terms energy: -68.928507
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -10.096
tors. eta vs tors. theta energy: -18.037
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: 7
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -209.384006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.384006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.392834 (E_RNA)
where:
Base-Base interactions energy: -152.408
where: short stacking energy: -57.510
Base-Backbone interact. energy: -0.007
local terms energy: -56.978459
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -6.104
tors. eta vs tors. theta energy: -12.626
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: 9
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -198.991770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.991770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.246205 (E_RNA)
where:
Base-Base interactions energy: -141.860
where: short stacking energy: -56.489
Base-Backbone interact. energy: -0.053
local terms energy: -57.333977
where:
bonds (distance) C4'-P energy: -10.799
bonds (distance) P-C4' energy: -12.178
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: -10.471
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: 1
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -216.993836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.993836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.994357 (E_RNA)
where:
Base-Base interactions energy: -155.813
where: short stacking energy: -62.674
Base-Backbone interact. energy: -0.192
local terms energy: -60.988895
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -12.310
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -8.495
tors. eta vs tors. theta energy: -14.712
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: 3
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -203.072034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.072034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.136752 (E_RNA)
where:
Base-Base interactions energy: -145.172
where: short stacking energy: -60.728
Base-Backbone interact. energy: -0.037
local terms energy: -57.927890
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -9.255
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -12.896
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: 319
Temperature: 1.250000
Total energy: -196.038398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.038398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.159646 (E_RNA)
where:
Base-Base interactions energy: -137.105
where: short stacking energy: -51.110
Base-Backbone interact. energy: -0.117
local terms energy: -58.937301
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -8.822
flat angles C4'-P-C4' energy: -12.533
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -16.562
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: 9, replica: 4
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -187.989250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.989250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.077762 (E_RNA)
where:
Base-Base interactions energy: -132.363
where: short stacking energy: -51.233
Base-Backbone interact. energy: 0.991
local terms energy: -64.705920
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -13.419
Dist. restrs. and SS energy: 8.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -187.470303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.470303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.640503 (E_RNA)
where:
Base-Base interactions energy: -136.045
where: short stacking energy: -54.754
Base-Backbone interact. energy: -0.162
local terms energy: -51.433578
where:
bonds (distance) C4'-P energy: -7.280
bonds (distance) P-C4' energy: -12.179
flat angles C4'-P-C4' energy: -9.631
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -14.255
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: 1, replica: 10
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -240.279966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.279966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.281282 (E_RNA)
where:
Base-Base interactions energy: -176.043
where: short stacking energy: -74.537
Base-Backbone interact. energy: -0.292
local terms energy: -63.946067
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -14.457
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -4.233
tors. eta vs tors. theta energy: -17.583
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: 320
Temperature: 0.950000
Total energy: -217.561421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.561421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.600702 (E_RNA)
where:
Base-Base interactions energy: -149.620
where: short stacking energy: -62.509
Base-Backbone interact. energy: -0.004
local terms energy: -67.977178
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -15.799
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -6.475
tors. eta vs tors. theta energy: -17.861
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: 320
Temperature: 1.000000
Total energy: -220.363655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.363655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.393600 (E_RNA)
where:
Base-Base interactions energy: -157.950
where: short stacking energy: -69.478
Base-Backbone interact. energy: 0.785
local terms energy: -63.228892
where:
bonds (distance) C4'-P energy: -10.705
bonds (distance) P-C4' energy: -11.891
flat angles C4'-P-C4' energy: -13.106
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -17.149
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: 5
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -214.879219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.879219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.044340 (E_RNA)
where:
Base-Base interactions energy: -154.050
where: short stacking energy: -61.990
Base-Backbone interact. energy: -0.197
local terms energy: -60.797487
where:
bonds (distance) C4'-P energy: -12.859
bonds (distance) P-C4' energy: -15.530
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -3.824
tors. eta vs tors. theta energy: -14.230
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: 5, replica: 1
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -205.009800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.009800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.045285 (E_RNA)
where:
Base-Base interactions energy: -146.694
where: short stacking energy: -57.270
Base-Backbone interact. energy: -0.563
local terms energy: -57.787623
where:
bonds (distance) C4'-P energy: -11.494
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -6.126
tors. eta vs tors. theta energy: -12.531
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: 9
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -199.816473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.816473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.089585 (E_RNA)
where:
Base-Base interactions energy: -140.772
where: short stacking energy: -55.452
Base-Backbone interact. energy: -0.598
local terms energy: -58.719229
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -13.617
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: 3
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -207.736428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.736428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.796678 (E_RNA)
where:
Base-Base interactions energy: -152.635
where: short stacking energy: -59.315
Base-Backbone interact. energy: -0.043
local terms energy: -55.118321
where:
bonds (distance) C4'-P energy: -7.419
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -10.760
flat angles P-C4'-P energy: -5.797
tors. eta vs tors. theta energy: -16.976
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: 8
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -198.354939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.354939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.367139 (E_RNA)
where:
Base-Base interactions energy: -138.125
where: short stacking energy: -53.481
Base-Backbone interact. energy: -0.105
local terms energy: -60.137752
where:
bonds (distance) C4'-P energy: -6.813
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -13.064
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -16.099
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: 6
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -195.921471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.921471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.921471 (E_RNA)
where:
Base-Base interactions energy: -141.404
where: short stacking energy: -55.447
Base-Backbone interact. energy: -0.068
local terms energy: -54.450205
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -9.525
flat angles P-C4'-P energy: -6.591
tors. eta vs tors. theta energy: -11.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -185.348445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.348445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.675774 (E_RNA)
where:
Base-Base interactions energy: -135.535
where: short stacking energy: -59.263
Base-Backbone interact. energy: -0.009
local terms energy: -57.131827
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -8.784
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -12.990
Dist. restrs. and SS energy: 7.327 (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: 10
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -232.097117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.097117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.098803 (E_RNA)
where:
Base-Base interactions energy: -170.468
where: short stacking energy: -65.833
Base-Backbone interact. energy: -0.004
local terms energy: -61.627121
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -3.897
tors. eta vs tors. theta energy: -15.642
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: 321
Temperature: 0.950000
Total energy: -218.479781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.479781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.493798 (E_RNA)
where:
Base-Base interactions energy: -152.805
where: short stacking energy: -60.877
Base-Backbone interact. energy: -0.123
local terms energy: -65.565722
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -6.480
tors. eta vs tors. theta energy: -17.251
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: 7
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -232.608156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.608156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.629770 (E_RNA)
where:
Base-Base interactions energy: -165.496
where: short stacking energy: -68.479
Base-Backbone interact. energy: -0.001
local terms energy: -67.132432
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -17.805
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: 321
Temperature: 1.050000
Total energy: -226.665462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.665462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.684087 (E_RNA)
where:
Base-Base interactions energy: -159.721
where: short stacking energy: -62.489
Base-Backbone interact. energy: -0.237
local terms energy: -66.725379
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -15.836
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: 5
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -210.468808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.468808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.633845 (E_RNA)
where:
Base-Base interactions energy: -152.073
where: short stacking energy: -60.711
Base-Backbone interact. energy: -0.003
local terms energy: -58.558342
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -12.202
flat angles C4'-P-C4' energy: -9.900
flat angles P-C4'-P energy: -7.840
tors. eta vs tors. theta energy: -18.098
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: 6, replica: 3
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -207.592942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.592942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.641718 (E_RNA)
where:
Base-Base interactions energy: -154.132
where: short stacking energy: -61.352
Base-Backbone interact. energy: -0.575
local terms energy: -52.934401
where:
bonds (distance) C4'-P energy: -10.343
bonds (distance) P-C4' energy: -11.980
flat angles C4'-P-C4' energy: -10.908
flat angles P-C4'-P energy: -4.876
tors. eta vs tors. theta energy: -14.828
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: 9
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -201.493942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.493942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.518128 (E_RNA)
where:
Base-Base interactions energy: -146.260
where: short stacking energy: -60.622
Base-Backbone interact. energy: -0.157
local terms energy: -55.100623
where:
bonds (distance) C4'-P energy: -8.940
bonds (distance) P-C4' energy: -14.007
flat angles C4'-P-C4' energy: -10.832
flat angles P-C4'-P energy: -5.196
tors. eta vs tors. theta energy: -16.126
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: 8, replica: 6
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -196.711144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.711144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.111847 (E_RNA)
where:
Base-Base interactions energy: -135.023
where: short stacking energy: -56.075
Base-Backbone interact. energy: -0.006
local terms energy: -62.082380
where:
bonds (distance) C4'-P energy: -9.189
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -12.878
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -16.524
Dist. restrs. and SS energy: 0.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -197.472026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.472026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.511017 (E_RNA)
where:
Base-Base interactions energy: -138.604
where: short stacking energy: -50.206
Base-Backbone interact. energy: -0.195
local terms energy: -58.711182
where:
bonds (distance) C4'-P energy: -9.204
bonds (distance) P-C4' energy: -13.239
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -11.499
tors. eta vs tors. theta energy: -9.510
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: 10, replica: 4
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -178.375385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.375385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.641374 (E_RNA)
where:
Base-Base interactions energy: -125.933
where: short stacking energy: -48.735
Base-Backbone interact. energy: -0.095
local terms energy: -58.613469
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -7.687
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -8.785
tors. eta vs tors. theta energy: -17.138
Dist. restrs. and SS energy: 6.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -220.947657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.947657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.083068 (E_RNA)
where:
Base-Base interactions energy: -152.827
where: short stacking energy: -67.162
Base-Backbone interact. energy: -0.123
local terms energy: -68.133410
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -13.262
flat angles C4'-P-C4' energy: -12.458
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -18.671
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: 322
Temperature: 0.950000
Total energy: -231.855862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.855862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.880552 (E_RNA)
where:
Base-Base interactions energy: -170.126
where: short stacking energy: -69.378
Base-Backbone interact. energy: -0.294
local terms energy: -61.460162
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -1.768
tors. eta vs tors. theta energy: -15.482
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: 322
Temperature: 1.000000
Total energy: -226.690349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.690349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.781404 (E_RNA)
where:
Base-Base interactions energy: -164.175
where: short stacking energy: -62.963
Base-Backbone interact. energy: -0.469
local terms energy: -62.136888
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -10.352
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -6.700
tors. eta vs tors. theta energy: -17.730
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: 322
Temperature: 1.050000
Total energy: -222.207556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.207556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.207556 (E_RNA)
where:
Base-Base interactions energy: -160.835
where: short stacking energy: -62.304
Base-Backbone interact. energy: -0.019
local terms energy: -61.354153
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -11.213
flat angles P-C4'-P energy: -6.496
tors. eta vs tors. theta energy: -15.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -212.216172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.216172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.268301 (E_RNA)
where:
Base-Base interactions energy: -144.995
where: short stacking energy: -56.604
Base-Backbone interact. energy: -0.072
local terms energy: -67.201551
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -12.865
tors. eta vs tors. theta energy: -12.063
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: 6, replica: 5
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -204.355785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.355785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.540999 (E_RNA)
where:
Base-Base interactions energy: -143.119
where: short stacking energy: -58.804
Base-Backbone interact. energy: -0.670
local terms energy: -60.751459
where:
bonds (distance) C4'-P energy: -10.592
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -11.412
flat angles P-C4'-P energy: -6.425
tors. eta vs tors. theta energy: -18.297
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: 7, replica: 6
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -210.687128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.687128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.738664 (E_RNA)
where:
Base-Base interactions energy: -145.123
where: short stacking energy: -61.217
Base-Backbone interact. energy: -0.013
local terms energy: -65.602810
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -16.431
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: 9
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -192.199872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.199872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.304323 (E_RNA)
where:
Base-Base interactions energy: -137.111
where: short stacking energy: -54.852
Base-Backbone interact. energy: -0.275
local terms energy: -54.918712
where:
bonds (distance) C4'-P energy: -11.064
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -8.041
tors. eta vs tors. theta energy: -11.845
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: 8
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -198.715627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.715627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.978779 (E_RNA)
where:
Base-Base interactions energy: -139.680
where: short stacking energy: -59.387
Base-Backbone interact. energy: -0.131
local terms energy: -59.167446
where:
bonds (distance) C4'-P energy: -9.084
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -7.295
tors. eta vs tors. theta energy: -15.742
Dist. restrs. and SS energy: 0.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -178.128604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.128604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.344003 (E_RNA)
where:
Base-Base interactions energy: -128.194
where: short stacking energy: -54.345
Base-Backbone interact. energy: -0.015
local terms energy: -58.135165
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -10.101
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -5.653
tors. eta vs tors. theta energy: -14.504
Dist. restrs. and SS energy: 8.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -223.953419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.953419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.968597 (E_RNA)
where:
Base-Base interactions energy: -164.972
where: short stacking energy: -65.467
Base-Backbone interact. energy: -0.052
local terms energy: -58.944658
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -11.754
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -2.369
tors. eta vs tors. theta energy: -17.121
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: 323
Temperature: 0.950000
Total energy: -235.066673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.066673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.183162 (E_RNA)
where:
Base-Base interactions energy: -172.503
where: short stacking energy: -70.158
Base-Backbone interact. energy: -0.006
local terms energy: -62.674396
where:
bonds (distance) C4'-P energy: -12.423
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -2.803
tors. eta vs tors. theta energy: -18.798
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: 323
Temperature: 1.000000
Total energy: -233.712172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.712172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.712172 (E_RNA)
where:
Base-Base interactions energy: -173.369
where: short stacking energy: -69.004
Base-Backbone interact. energy: -0.017
local terms energy: -60.326438
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -12.257
flat angles P-C4'-P energy: -4.558
tors. eta vs tors. theta energy: -16.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -210.048342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.048342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.061225 (E_RNA)
where:
Base-Base interactions energy: -155.229
where: short stacking energy: -63.253
Base-Backbone interact. energy: -0.105
local terms energy: -54.727995
where:
bonds (distance) C4'-P energy: -6.966
bonds (distance) P-C4' energy: -9.769
flat angles C4'-P-C4' energy: -10.995
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -15.376
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: 323
Temperature: 1.100000
Total energy: -209.219735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.219735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.352696 (E_RNA)
where:
Base-Base interactions energy: -148.597
where: short stacking energy: -61.530
Base-Backbone interact. energy: -0.124
local terms energy: -60.632386
where:
bonds (distance) C4'-P energy: -7.682
bonds (distance) P-C4' energy: -9.618
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -17.861
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: 6
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -201.519647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.519647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.544399 (E_RNA)
where:
Base-Base interactions energy: -151.859
where: short stacking energy: -56.171
Base-Backbone interact. energy: -0.177
local terms energy: -49.508270
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -10.692
flat angles C4'-P-C4' energy: -9.012
flat angles P-C4'-P energy: -2.171
tors. eta vs tors. theta energy: -14.959
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: 5
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -202.462700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.462700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.486898 (E_RNA)
where:
Base-Base interactions energy: -139.223
where: short stacking energy: -52.980
Base-Backbone interact. energy: 0.019
local terms energy: -63.282703
where:
bonds (distance) C4'-P energy: -10.516
bonds (distance) P-C4' energy: -11.467
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -15.653
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: 8, replica: 9
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -194.269242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.269242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.280758 (E_RNA)
where:
Base-Base interactions energy: -138.791
where: short stacking energy: -56.519
Base-Backbone interact. energy: -0.014
local terms energy: -55.475708
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -8.283
flat angles P-C4'-P energy: -8.935
tors. eta vs tors. theta energy: -10.583
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: 8
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -188.120271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.120271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.229649 (E_RNA)
where:
Base-Base interactions energy: -134.368
where: short stacking energy: -51.500
Base-Backbone interact. energy: -0.352
local terms energy: -53.509526
where:
bonds (distance) C4'-P energy: -9.929
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -9.272
flat angles P-C4'-P energy: -9.238
tors. eta vs tors. theta energy: -11.675
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: 10, replica: 4
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -178.999827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.999827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.613035 (E_RNA)
where:
Base-Base interactions energy: -133.653
where: short stacking energy: -55.320
Base-Backbone interact. energy: -0.010
local terms energy: -52.950257
where:
bonds (distance) C4'-P energy: -8.750
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -9.309
flat angles P-C4'-P energy: -6.966
tors. eta vs tors. theta energy: -16.129
Dist. restrs. and SS energy: 7.613 (S_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: 324
Temperature: 0.900000
Total energy: -242.337085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.337085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.361018 (E_RNA)
where:
Base-Base interactions energy: -173.608
where: short stacking energy: -69.111
Base-Backbone interact. energy: -0.004
local terms energy: -68.748788
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -18.007
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: 2
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -227.809451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.809451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.809451 (E_RNA)
where:
Base-Base interactions energy: -158.346
where: short stacking energy: -59.402
Base-Backbone interact. energy: -0.141
local terms energy: -69.323110
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -8.593
tors. eta vs tors. theta energy: -16.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -210.343922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.343922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.377275 (E_RNA)
where:
Base-Base interactions energy: -143.772
where: short stacking energy: -59.338
Base-Backbone interact. energy: -0.151
local terms energy: -66.454313
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -13.743
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: 10
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -213.015560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.015560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.079599 (E_RNA)
where:
Base-Base interactions energy: -150.065
where: short stacking energy: -63.179
Base-Backbone interact. energy: -0.003
local terms energy: -63.012379
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -12.290
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -7.966
tors. eta vs tors. theta energy: -14.041
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: 6
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -209.651016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.651016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.651016 (E_RNA)
where:
Base-Base interactions energy: -145.413
where: short stacking energy: -63.045
Base-Backbone interact. energy: -0.009
local terms energy: -64.228925
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -12.886
flat angles C4'-P-C4' energy: -14.137
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -15.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -209.236291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.236291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.270947 (E_RNA)
where:
Base-Base interactions energy: -142.567
where: short stacking energy: -62.040
Base-Backbone interact. energy: -0.089
local terms energy: -66.614588
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -6.645
tors. eta vs tors. theta energy: -18.459
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: 9
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -202.986306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.986306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.267505 (E_RNA)
where:
Base-Base interactions energy: -140.546
where: short stacking energy: -59.678
Base-Backbone interact. energy: -0.054
local terms energy: -62.667193
where:
bonds (distance) C4'-P energy: -11.197
bonds (distance) P-C4' energy: -15.077
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -7.776
tors. eta vs tors. theta energy: -14.853
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: 5
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -206.278643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.278643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.324808 (E_RNA)
where:
Base-Base interactions energy: -149.969
where: short stacking energy: -53.615
Base-Backbone interact. energy: -0.001
local terms energy: -56.354701
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -10.749
flat angles P-C4'-P energy: -3.501
tors. eta vs tors. theta energy: -13.966
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: 9, replica: 4
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -176.831825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.831825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.362798 (E_RNA)
where:
Base-Base interactions energy: -120.008
where: short stacking energy: -49.600
Base-Backbone interact. energy: -0.283
local terms energy: -64.071626
where:
bonds (distance) C4'-P energy: -11.274
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -13.304
flat angles P-C4'-P energy: -7.911
tors. eta vs tors. theta energy: -15.609
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: 10, replica: 8
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -194.863753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.863753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.061018 (E_RNA)
where:
Base-Base interactions energy: -141.850
where: short stacking energy: -56.273
Base-Backbone interact. energy: 0.157
local terms energy: -53.368538
where:
bonds (distance) C4'-P energy: -10.300
bonds (distance) P-C4' energy: -11.277
flat angles C4'-P-C4' energy: -12.062
flat angles P-C4'-P energy: -7.452
tors. eta vs tors. theta energy: -12.278
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: 1, replica: 1
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -233.463007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.463007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.465687 (E_RNA)
where:
Base-Base interactions energy: -173.093
where: short stacking energy: -69.281
Base-Backbone interact. energy: -0.006
local terms energy: -60.366586
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -8.990
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -3.812
tors. eta vs tors. theta energy: -19.012
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: 3
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -214.579115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.579115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.579115 (E_RNA)
where:
Base-Base interactions energy: -161.723
where: short stacking energy: -62.491
Base-Backbone interact. energy: -0.017
local terms energy: -52.838394
where:
bonds (distance) C4'-P energy: -11.225
bonds (distance) P-C4' energy: -11.821
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -4.928
tors. eta vs tors. theta energy: -11.914
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -213.227044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.227044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.289812 (E_RNA)
where:
Base-Base interactions energy: -150.920
where: short stacking energy: -61.003
Base-Backbone interact. energy: -0.206
local terms energy: -62.163923
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -13.173
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -8.337
tors. eta vs tors. theta energy: -16.960
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: 325
Temperature: 1.050000
Total energy: -210.502103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.502103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.549724 (E_RNA)
where:
Base-Base interactions energy: -151.984
where: short stacking energy: -60.819
Base-Backbone interact. energy: -0.002
local terms energy: -58.563260
where:
bonds (distance) C4'-P energy: -6.724
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -9.201
tors. eta vs tors. theta energy: -13.818
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: 325
Temperature: 1.100000
Total energy: -212.174233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.174233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.199726 (E_RNA)
where:
Base-Base interactions energy: -153.654
where: short stacking energy: -61.555
Base-Backbone interact. energy: -0.115
local terms energy: -58.430296
where:
bonds (distance) C4'-P energy: -9.223
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -11.987
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -12.863
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: 9
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -201.508365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.508365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.582784 (E_RNA)
where:
Base-Base interactions energy: -136.968
where: short stacking energy: -54.767
Base-Backbone interact. energy: -0.020
local terms energy: -64.594364
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -12.575
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -9.345
tors. eta vs tors. theta energy: -15.144
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: 7
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -202.524329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.524329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.597289 (E_RNA)
where:
Base-Base interactions energy: -139.206
where: short stacking energy: -55.584
Base-Backbone interact. energy: 0.332
local terms energy: -63.722445
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -12.714
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -7.508
tors. eta vs tors. theta energy: -15.770
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: 8, replica: 5
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -202.261142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.261142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.337609 (E_RNA)
where:
Base-Base interactions energy: -143.804
where: short stacking energy: -52.925
Base-Backbone interact. energy: -0.001
local terms energy: -58.532613
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -12.278
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -12.658
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: 325
Temperature: 1.300000
Total energy: -178.727245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.727245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.301898 (E_RNA)
where:
Base-Base interactions energy: -140.863
where: short stacking energy: -62.193
Base-Backbone interact. energy: -0.002
local terms energy: -44.437102
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -2.690
flat angles C4'-P-C4' energy: -12.130
flat angles P-C4'-P energy: -2.210
tors. eta vs tors. theta energy: -17.122
Dist. restrs. and SS energy: 6.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -188.629843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.629843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.686739 (E_RNA)
where:
Base-Base interactions energy: -132.863
where: short stacking energy: -49.352
Base-Backbone interact. energy: -0.018
local terms energy: -55.805792
where:
bonds (distance) C4'-P energy: -7.918
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -5.398
tors. eta vs tors. theta energy: -14.458
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: 3
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -231.945269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.945269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.954969 (E_RNA)
where:
Base-Base interactions energy: -170.851
where: short stacking energy: -66.484
Base-Backbone interact. energy: -0.611
local terms energy: -60.493182
where:
bonds (distance) C4'-P energy: -10.299
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -6.635
tors. eta vs tors. theta energy: -16.586
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: 1
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -221.681819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.681819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.789873 (E_RNA)
where:
Base-Base interactions energy: -152.925
where: short stacking energy: -59.730
Base-Backbone interact. energy: -0.007
local terms energy: -68.857765
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -12.461
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -16.511
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: 6
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -214.163956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.163956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.290173 (E_RNA)
where:
Base-Base interactions energy: -150.705
where: short stacking energy: -61.042
Base-Backbone interact. energy: -0.473
local terms energy: -63.112753
where:
bonds (distance) C4'-P energy: -10.948
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -12.267
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -13.490
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: 4, replica: 2
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -217.464772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.464772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.464772 (E_RNA)
where:
Base-Base interactions energy: -156.149
where: short stacking energy: -60.181
Base-Backbone interact. energy: -1.062
local terms energy: -60.252856
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -9.401
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: -17.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -214.281540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.281540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.318069 (E_RNA)
where:
Base-Base interactions energy: -156.570
where: short stacking energy: -59.882
Base-Backbone interact. energy: -0.084
local terms energy: -57.663391
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: -12.412
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: 10
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -215.041603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.041603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.176079 (E_RNA)
where:
Base-Base interactions energy: -159.328
where: short stacking energy: -66.766
Base-Backbone interact. energy: -0.001
local terms energy: -55.847629
where:
bonds (distance) C4'-P energy: -7.491
bonds (distance) P-C4' energy: -12.311
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -4.051
tors. eta vs tors. theta energy: -16.935
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: 7, replica: 5
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -210.691702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.691702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.771880 (E_RNA)
where:
Base-Base interactions energy: -145.774
where: short stacking energy: -49.711
Base-Backbone interact. energy: -0.019
local terms energy: -64.979127
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -7.347
tors. eta vs tors. theta energy: -15.394
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: 7
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -196.649653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.649653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.649653 (E_RNA)
where:
Base-Base interactions energy: -139.508
where: short stacking energy: -55.047
Base-Backbone interact. energy: -0.055
local terms energy: -57.086215
where:
bonds (distance) C4'-P energy: -9.412
bonds (distance) P-C4' energy: -13.805
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -5.173
tors. eta vs tors. theta energy: -12.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -199.028181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.028181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.279396 (E_RNA)
where:
Base-Base interactions energy: -137.927
where: short stacking energy: -54.400
Base-Backbone interact. energy: -0.285
local terms energy: -61.067553
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -12.094
flat angles C4'-P-C4' energy: -11.789
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -13.135
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: 10, replica: 4
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -174.887078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.887078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.393060 (E_RNA)
where:
Base-Base interactions energy: -121.237
where: short stacking energy: -53.258
Base-Backbone interact. energy: -0.076
local terms energy: -61.080745
where:
bonds (distance) C4'-P energy: -12.593
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -6.484
tors. eta vs tors. theta energy: -14.564
Dist. restrs. and SS energy: 7.506 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -235.477950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.477950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.477950 (E_RNA)
where:
Base-Base interactions energy: -173.983
where: short stacking energy: -66.576
Base-Backbone interact. energy: -0.128
local terms energy: -61.366311
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -11.680
flat angles C4'-P-C4' energy: -14.557
flat angles P-C4'-P energy: -5.464
tors. eta vs tors. theta energy: -15.509
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -228.185021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.185021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.213991 (E_RNA)
where:
Base-Base interactions energy: -166.240
where: short stacking energy: -65.621
Base-Backbone interact. energy: -0.001
local terms energy: -61.973744
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -13.857
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -6.572
tors. eta vs tors. theta energy: -13.899
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: 327
Temperature: 1.000000
Total energy: -223.136681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.136681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.170494 (E_RNA)
where:
Base-Base interactions energy: -154.624
where: short stacking energy: -67.301
Base-Backbone interact. energy: -0.001
local terms energy: -68.546029
where:
bonds (distance) C4'-P energy: -13.269
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -18.216
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: 327
Temperature: 1.050000
Total energy: -221.132347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.132347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.236165 (E_RNA)
where:
Base-Base interactions energy: -165.298
where: short stacking energy: -66.844
Base-Backbone interact. energy: -0.371
local terms energy: -55.567283
where:
bonds (distance) C4'-P energy: -9.126
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -3.389
tors. eta vs tors. theta energy: -15.232
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: 9
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -208.658931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.658931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.792554 (E_RNA)
where:
Base-Base interactions energy: -151.080
where: short stacking energy: -60.074
Base-Backbone interact. energy: -0.033
local terms energy: -57.679765
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -11.878
flat angles C4'-P-C4' energy: -8.964
flat angles P-C4'-P energy: -6.644
tors. eta vs tors. theta energy: -17.376
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: 6, replica: 5
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -216.051591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.051591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.092130 (E_RNA)
where:
Base-Base interactions energy: -153.748
where: short stacking energy: -70.512
Base-Backbone interact. energy: 0.099
local terms energy: -62.442555
where:
bonds (distance) C4'-P energy: -11.102
bonds (distance) P-C4' energy: -11.066
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: -15.313
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: 10
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -204.892490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.892490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.994090 (E_RNA)
where:
Base-Base interactions energy: -147.494
where: short stacking energy: -58.806
Base-Backbone interact. energy: -0.001
local terms energy: -57.499452
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -10.346
flat angles C4'-P-C4' energy: -11.480
flat angles P-C4'-P energy: -6.711
tors. eta vs tors. theta energy: -15.990
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: 8
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -203.697031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.697031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.714598 (E_RNA)
where:
Base-Base interactions energy: -144.415
where: short stacking energy: -57.032
Base-Backbone interact. energy: -0.040
local terms energy: -59.259913
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -7.654
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -14.546
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: 7
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -199.056149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.056149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.094641 (E_RNA)
where:
Base-Base interactions energy: -144.001
where: short stacking energy: -51.671
Base-Backbone interact. energy: -0.242
local terms energy: -54.851154
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -11.496
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -6.675
tors. eta vs tors. theta energy: -11.966
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: 327
Temperature: 1.350000
Total energy: -168.311247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.311247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.006643 (E_RNA)
where:
Base-Base interactions energy: -117.499
where: short stacking energy: -47.836
Base-Backbone interact. energy: -1.296
local terms energy: -57.211416
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -9.957
flat angles C4'-P-C4' energy: -11.125
flat angles P-C4'-P energy: -8.962
tors. eta vs tors. theta energy: -13.463
Dist. restrs. and SS energy: 7.695 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -232.314156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.314156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.363996 (E_RNA)
where:
Base-Base interactions energy: -166.383
where: short stacking energy: -66.575
Base-Backbone interact. energy: 0.148
local terms energy: -66.128707
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -10.287
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -16.028
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: 328
Temperature: 0.950000
Total energy: -227.271268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.271268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.362478 (E_RNA)
where:
Base-Base interactions energy: -163.720
where: short stacking energy: -67.863
Base-Backbone interact. energy: -0.002
local terms energy: -63.640867
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -5.851
tors. eta vs tors. theta energy: -16.405
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: 2
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -207.094335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.094335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.166631 (E_RNA)
where:
Base-Base interactions energy: -135.576
where: short stacking energy: -55.707
Base-Backbone interact. energy: -0.011
local terms energy: -71.580308
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -16.934
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: 328
Temperature: 1.050000
Total energy: -216.018387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.018387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.060150 (E_RNA)
where:
Base-Base interactions energy: -153.701
where: short stacking energy: -62.465
Base-Backbone interact. energy: -0.046
local terms energy: -62.312732
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -12.149
flat angles P-C4'-P energy: -5.561
tors. eta vs tors. theta energy: -17.861
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: 5
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -203.186197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.186197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.247316 (E_RNA)
where:
Base-Base interactions energy: -147.348
where: short stacking energy: -53.731
Base-Backbone interact. energy: -0.002
local terms energy: -55.897680
where:
bonds (distance) C4'-P energy: -12.218
bonds (distance) P-C4' energy: -10.092
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -5.965
tors. eta vs tors. theta energy: -12.018
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: 9
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -210.682569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.682569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.706512 (E_RNA)
where:
Base-Base interactions energy: -156.784
where: short stacking energy: -59.959
Base-Backbone interact. energy: -0.026
local terms energy: -53.896649
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -9.930
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -2.817
tors. eta vs tors. theta energy: -13.365
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: 10
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -206.063192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.063192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.230359 (E_RNA)
where:
Base-Base interactions energy: -142.872
where: short stacking energy: -59.944
Base-Backbone interact. energy: -0.307
local terms energy: -63.052197
where:
bonds (distance) C4'-P energy: -9.229
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -16.231
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: 8
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -202.657585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.657585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.709025 (E_RNA)
where:
Base-Base interactions energy: -143.679
where: short stacking energy: -57.451
Base-Backbone interact. energy: -0.122
local terms energy: -58.907468
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -11.329
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: -14.567
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: 7
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -189.710709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.710709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.819716 (E_RNA)
where:
Base-Base interactions energy: -130.129
where: short stacking energy: -52.648
Base-Backbone interact. energy: -0.056
local terms energy: -59.635143
where:
bonds (distance) C4'-P energy: -11.523
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -11.650
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -13.592
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: 10, replica: 4
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -169.282882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.282882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.495297 (E_RNA)
where:
Base-Base interactions energy: -116.460
where: short stacking energy: -47.379
Base-Backbone interact. energy: -0.583
local terms energy: -58.451959
where:
bonds (distance) C4'-P energy: -9.879
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -9.640
tors. eta vs tors. theta energy: -11.637
Dist. restrs. and SS energy: 6.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -240.315336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.315336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.347601 (E_RNA)
where:
Base-Base interactions energy: -172.709
where: short stacking energy: -70.164
Base-Backbone interact. energy: -0.568
local terms energy: -67.071288
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -7.463
tors. eta vs tors. theta energy: -18.450
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: 2
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -223.598711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.598711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.683511 (E_RNA)
where:
Base-Base interactions energy: -161.547
where: short stacking energy: -60.770
Base-Backbone interact. energy: -0.247
local terms energy: -61.889787
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -12.873
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -7.062
tors. eta vs tors. theta energy: -16.972
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: 3, replica: 6
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -225.518324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.518324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.608865 (E_RNA)
where:
Base-Base interactions energy: -165.156
where: short stacking energy: -63.679
Base-Backbone interact. energy: -0.003
local terms energy: -60.450438
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -12.577
flat angles P-C4'-P energy: -3.600
tors. eta vs tors. theta energy: -15.929
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: 5
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -225.697310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.697310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.697310 (E_RNA)
where:
Base-Base interactions energy: -168.708
where: short stacking energy: -66.461
Base-Backbone interact. energy: -0.072
local terms energy: -56.917389
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -11.200
flat angles P-C4'-P energy: -4.125
tors. eta vs tors. theta energy: -16.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -213.349716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.349716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.564096 (E_RNA)
where:
Base-Base interactions energy: -153.980
where: short stacking energy: -63.745
Base-Backbone interact. energy: -0.037
local terms energy: -59.546916
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -9.644
flat angles P-C4'-P energy: -7.557
tors. eta vs tors. theta energy: -16.995
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: 6, replica: 10
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -201.789174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.789174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.826720 (E_RNA)
where:
Base-Base interactions energy: -140.283
where: short stacking energy: -56.277
Base-Backbone interact. energy: -0.452
local terms energy: -61.091908
where:
bonds (distance) C4'-P energy: -7.252
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -12.082
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -16.943
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: 9
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -202.238463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.238463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.659522 (E_RNA)
where:
Base-Base interactions energy: -140.031
where: short stacking energy: -57.130
Base-Backbone interact. energy: -0.001
local terms energy: -62.627253
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -12.751
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -12.860
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: 8, replica: 7
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -202.705949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.705949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.816235 (E_RNA)
where:
Base-Base interactions energy: -146.652
where: short stacking energy: -59.385
Base-Backbone interact. energy: -0.002
local terms energy: -56.162798
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -9.807
flat angles C4'-P-C4' energy: -8.425
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -15.636
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: 9, replica: 8
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -200.752561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.752561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.057843 (E_RNA)
where:
Base-Base interactions energy: -141.679
where: short stacking energy: -60.319
Base-Backbone interact. energy: -0.530
local terms energy: -58.849710
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -9.803
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -7.077
tors. eta vs tors. theta energy: -16.535
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: 10, replica: 4
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -169.979871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.979871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.735415 (E_RNA)
where:
Base-Base interactions energy: -132.236
where: short stacking energy: -53.951
Base-Backbone interact. energy: -0.145
local terms energy: -44.354143
where:
bonds (distance) C4'-P energy: -6.915
bonds (distance) P-C4' energy: -6.309
flat angles C4'-P-C4' energy: -9.220
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -12.193
Dist. restrs. and SS energy: 6.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -242.297604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.297604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.297604 (E_RNA)
where:
Base-Base interactions energy: -173.436
where: short stacking energy: -70.686
Base-Backbone interact. energy: -0.001
local terms energy: -68.860898
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -14.652
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -7.130
tors. eta vs tors. theta energy: -18.098
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -224.638752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.638752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.652118 (E_RNA)
where:
Base-Base interactions energy: -159.923
where: short stacking energy: -63.363
Base-Backbone interact. energy: -0.001
local terms energy: -64.728282
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -5.870
tors. eta vs tors. theta energy: -16.527
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: 5
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -224.865498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.865498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.948920 (E_RNA)
where:
Base-Base interactions energy: -165.259
where: short stacking energy: -66.439
Base-Backbone interact. energy: -0.031
local terms energy: -59.658533
where:
bonds (distance) C4'-P energy: -12.392
bonds (distance) P-C4' energy: -13.189
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -3.942
tors. eta vs tors. theta energy: -16.446
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: 6
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -218.926608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.926608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.931934 (E_RNA)
where:
Base-Base interactions energy: -161.615
where: short stacking energy: -64.752
Base-Backbone interact. energy: -0.208
local terms energy: -57.108798
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -11.997
flat angles P-C4'-P energy: 0.151
tors. eta vs tors. theta energy: -18.365
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: 10
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -211.458030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.458030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.543415 (E_RNA)
where:
Base-Base interactions energy: -157.049
where: short stacking energy: -64.445
Base-Backbone interact. energy: -0.287
local terms energy: -54.206868
where:
bonds (distance) C4'-P energy: -8.554
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -4.664
tors. eta vs tors. theta energy: -14.080
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: 6, replica: 1
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -208.189583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.189583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.381103 (E_RNA)
where:
Base-Base interactions energy: -154.332
where: short stacking energy: -58.474
Base-Backbone interact. energy: -0.146
local terms energy: -53.902900
where:
bonds (distance) C4'-P energy: -10.091
bonds (distance) P-C4' energy: -8.819
flat angles C4'-P-C4' energy: -9.953
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -16.787
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: 330
Temperature: 1.200000
Total energy: -197.471697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.471697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.539870 (E_RNA)
where:
Base-Base interactions energy: -144.691
where: short stacking energy: -57.134
Base-Backbone interact. energy: -0.047
local terms energy: -52.801600
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -9.238
flat angles C4'-P-C4' energy: -10.623
flat angles P-C4'-P energy: -8.133
tors. eta vs tors. theta energy: -10.026
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: 9
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -196.562148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.562148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.618388 (E_RNA)
where:
Base-Base interactions energy: -140.529
where: short stacking energy: -54.681
Base-Backbone interact. energy: -0.416
local terms energy: -55.673861
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -9.633
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: -12.957
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: 4
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -177.482999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.482999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.603333 (E_RNA)
where:
Base-Base interactions energy: -122.986
where: short stacking energy: -55.306
Base-Backbone interact. energy: -0.223
local terms energy: -61.394542
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -13.571
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -6.192
tors. eta vs tors. theta energy: -12.361
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: 8
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -194.898732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.898732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.047431 (E_RNA)
where:
Base-Base interactions energy: -133.261
where: short stacking energy: -48.723
Base-Backbone interact. energy: -0.001
local terms energy: -61.784904
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -6.898
tors. eta vs tors. theta energy: -15.144
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: 1, replica: 3
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -242.139667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.139667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.177700 (E_RNA)
where:
Base-Base interactions energy: -173.207
where: short stacking energy: -73.139
Base-Backbone interact. energy: -0.017
local terms energy: -68.953253
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -5.723
tors. eta vs tors. theta energy: -17.846
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: 5
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -226.949383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.949383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.043605 (E_RNA)
where:
Base-Base interactions energy: -166.684
where: short stacking energy: -66.513
Base-Backbone interact. energy: -0.165
local terms energy: -60.194496
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -1.965
tors. eta vs tors. theta energy: -16.766
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: 331
Temperature: 1.000000
Total energy: -213.194036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.194036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.251324 (E_RNA)
where:
Base-Base interactions energy: -148.226
where: short stacking energy: -64.167
Base-Backbone interact. energy: -0.577
local terms energy: -64.448794
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -13.935
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: 331
Temperature: 1.050000
Total energy: -209.699984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.699984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.703151 (E_RNA)
where:
Base-Base interactions energy: -146.708
where: short stacking energy: -63.023
Base-Backbone interact. energy: -0.013
local terms energy: -62.982519
where:
bonds (distance) C4'-P energy: -12.164
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -6.866
tors. eta vs tors. theta energy: -14.853
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: 6
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -213.373223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.373223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.514566 (E_RNA)
where:
Base-Base interactions energy: -153.986
where: short stacking energy: -63.250
Base-Backbone interact. energy: -0.579
local terms energy: -58.949429
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -11.207
flat angles P-C4'-P energy: -4.303
tors. eta vs tors. theta energy: -17.348
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: 1
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -204.015268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.015268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.152015 (E_RNA)
where:
Base-Base interactions energy: -143.434
where: short stacking energy: -51.759
Base-Backbone interact. energy: -0.105
local terms energy: -60.612707
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -9.750
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -12.725
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: 7
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -202.954732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.954732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.056322 (E_RNA)
where:
Base-Base interactions energy: -146.651
where: short stacking energy: -65.503
Base-Backbone interact. energy: -0.001
local terms energy: -56.404147
where:
bonds (distance) C4'-P energy: -9.626
bonds (distance) P-C4' energy: -9.423
flat angles C4'-P-C4' energy: -11.421
flat angles P-C4'-P energy: -7.441
tors. eta vs tors. theta energy: -18.492
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: 9
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -200.731983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.731983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.768567 (E_RNA)
where:
Base-Base interactions energy: -143.279
where: short stacking energy: -58.419
Base-Backbone interact. energy: -0.001
local terms energy: -57.488299
where:
bonds (distance) C4'-P energy: -9.482
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -12.301
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -13.088
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: 4
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -182.080144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.080144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.493294 (E_RNA)
where:
Base-Base interactions energy: -134.654
where: short stacking energy: -61.470
Base-Backbone interact. energy: -0.303
local terms energy: -54.537035
where:
bonds (distance) C4'-P energy: -7.826
bonds (distance) P-C4' energy: -8.431
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -7.895
tors. eta vs tors. theta energy: -16.602
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: 8
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -192.809207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.809207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.012990 (E_RNA)
where:
Base-Base interactions energy: -135.481
where: short stacking energy: -56.140
Base-Backbone interact. energy: -0.003
local terms energy: -57.528931
where:
bonds (distance) C4'-P energy: -8.037
bonds (distance) P-C4' energy: -13.756
flat angles C4'-P-C4' energy: -12.445
flat angles P-C4'-P energy: -6.522
tors. eta vs tors. theta energy: -16.770
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: 1, replica: 3
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -238.936313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.936313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.964852 (E_RNA)
where:
Base-Base interactions energy: -172.354
where: short stacking energy: -69.240
Base-Backbone interact. energy: -0.160
local terms energy: -66.450895
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: -16.564
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: 5
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -232.431150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.431150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.529011 (E_RNA)
where:
Base-Base interactions energy: -168.897
where: short stacking energy: -66.947
Base-Backbone interact. energy: -0.023
local terms energy: -63.608673
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -13.888
flat angles P-C4'-P energy: -5.618
tors. eta vs tors. theta energy: -16.789
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: 3, replica: 10
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -227.313473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.313473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.313473 (E_RNA)
where:
Base-Base interactions energy: -166.213
where: short stacking energy: -68.987
Base-Backbone interact. energy: -0.040
local terms energy: -61.060522
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -11.941
flat angles P-C4'-P energy: -4.090
tors. eta vs tors. theta energy: -16.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -210.845590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.845590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.852068 (E_RNA)
where:
Base-Base interactions energy: -143.807
where: short stacking energy: -59.296
Base-Backbone interact. energy: 0.313
local terms energy: -67.358668
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -14.499
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: 6
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -213.144593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.144593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.439241 (E_RNA)
where:
Base-Base interactions energy: -149.824
where: short stacking energy: -59.445
Base-Backbone interact. energy: -0.097
local terms energy: -63.518659
where:
bonds (distance) C4'-P energy: -12.868
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -9.863
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -17.775
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: 6, replica: 1
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -206.183282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.183282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.259548 (E_RNA)
where:
Base-Base interactions energy: -153.410
where: short stacking energy: -62.292
Base-Backbone interact. energy: -0.004
local terms energy: -52.846329
where:
bonds (distance) C4'-P energy: -8.906
bonds (distance) P-C4' energy: -11.668
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -9.841
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: 9
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -199.604521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.604521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.632259 (E_RNA)
where:
Base-Base interactions energy: -141.999
where: short stacking energy: -57.163
Base-Backbone interact. energy: -0.006
local terms energy: -57.627524
where:
bonds (distance) C4'-P energy: -9.111
bonds (distance) P-C4' energy: -10.539
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: -16.134
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: 7
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -195.982256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.982256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.174843 (E_RNA)
where:
Base-Base interactions energy: -144.154
where: short stacking energy: -52.872
Base-Backbone interact. energy: -0.009
local terms energy: -52.011418
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -9.087
flat angles C4'-P-C4' energy: -10.569
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -8.448
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: 9, replica: 8
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -195.402739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.402739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.545302 (E_RNA)
where:
Base-Base interactions energy: -139.645
where: short stacking energy: -56.347
Base-Backbone interact. energy: -0.064
local terms energy: -55.836448
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -11.098
flat angles C4'-P-C4' energy: -11.917
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -11.011
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: 4
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -176.162338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.162338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.140574 (E_RNA)
where:
Base-Base interactions energy: -132.726
where: short stacking energy: -60.485
Base-Backbone interact. energy: -0.022
local terms energy: -51.391788
where:
bonds (distance) C4'-P energy: -8.983
bonds (distance) P-C4' energy: -11.492
flat angles C4'-P-C4' energy: -11.755
flat angles P-C4'-P energy: -7.001
tors. eta vs tors. theta energy: -12.161
Dist. restrs. and SS energy: 7.978 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -235.871459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.871459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.903802 (E_RNA)
where:
Base-Base interactions energy: -180.512
where: short stacking energy: -73.540
Base-Backbone interact. energy: -0.007
local terms energy: -55.385220
where:
bonds (distance) C4'-P energy: -7.007
bonds (distance) P-C4' energy: -12.324
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -5.703
tors. eta vs tors. theta energy: -16.655
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: 5
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -224.697822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.697822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.739399 (E_RNA)
where:
Base-Base interactions energy: -162.952
where: short stacking energy: -63.244
Base-Backbone interact. energy: -0.941
local terms energy: -60.847174
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -5.622
tors. eta vs tors. theta energy: -14.310
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: 10
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -228.185244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.185244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.201421 (E_RNA)
where:
Base-Base interactions energy: -163.132
where: short stacking energy: -64.676
Base-Backbone interact. energy: -0.028
local terms energy: -65.041321
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -6.131
tors. eta vs tors. theta energy: -15.551
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: 333
Temperature: 1.050000
Total energy: -231.909434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.909434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.977050 (E_RNA)
where:
Base-Base interactions energy: -167.816
where: short stacking energy: -64.774
Base-Backbone interact. energy: -0.013
local terms energy: -64.147975
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -5.873
tors. eta vs tors. theta energy: -14.442
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: 2
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -205.015550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.015550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.440525 (E_RNA)
where:
Base-Base interactions energy: -137.460
where: short stacking energy: -54.726
Base-Backbone interact. energy: 0.231
local terms energy: -68.211547
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -13.179
tors. eta vs tors. theta energy: -15.205
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: 6, replica: 9
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -208.012120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.012120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.012120 (E_RNA)
where:
Base-Base interactions energy: -141.332
where: short stacking energy: -54.815
Base-Backbone interact. energy: -0.002
local terms energy: -66.678099
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: -15.119
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -202.272105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.272105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.281016 (E_RNA)
where:
Base-Base interactions energy: -146.832
where: short stacking energy: -54.734
Base-Backbone interact. energy: -0.751
local terms energy: -54.698262
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -11.995
flat angles P-C4'-P energy: -4.728
tors. eta vs tors. theta energy: -10.542
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: 8
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -198.708262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.708262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.884153 (E_RNA)
where:
Base-Base interactions energy: -135.999
where: short stacking energy: -57.533
Base-Backbone interact. energy: 0.241
local terms energy: -63.126037
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -4.228
tors. eta vs tors. theta energy: -17.327
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: 7
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -201.534310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.534310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.631423 (E_RNA)
where:
Base-Base interactions energy: -139.294
where: short stacking energy: -59.154
Base-Backbone interact. energy: -0.013
local terms energy: -62.324649
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -7.681
tors. eta vs tors. theta energy: -16.351
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: 333
Temperature: 1.350000
Total energy: -179.203264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.203264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.302631 (E_RNA)
where:
Base-Base interactions energy: -138.303
where: short stacking energy: -60.308
Base-Backbone interact. energy: -0.001
local terms energy: -47.998427
where:
bonds (distance) C4'-P energy: -6.294
bonds (distance) P-C4' energy: -11.306
flat angles C4'-P-C4' energy: -10.752
flat angles P-C4'-P energy: -4.570
tors. eta vs tors. theta energy: -15.077
Dist. restrs. and SS energy: 7.099 (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: 5
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -224.168276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.168276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.211039 (E_RNA)
where:
Base-Base interactions energy: -164.371
where: short stacking energy: -65.479
Base-Backbone interact. energy: -0.007
local terms energy: -59.833013
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -12.257
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -1.192
tors. eta vs tors. theta energy: -16.632
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: 3
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -239.522799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.522799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.565474 (E_RNA)
where:
Base-Base interactions energy: -175.692
where: short stacking energy: -68.051
Base-Backbone interact. energy: -0.041
local terms energy: -63.832895
where:
bonds (distance) C4'-P energy: -10.232
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -5.318
tors. eta vs tors. theta energy: -19.316
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: 6
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -224.427673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.427673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.427673 (E_RNA)
where:
Base-Base interactions energy: -164.981
where: short stacking energy: -62.409
Base-Backbone interact. energy: 0.284
local terms energy: -59.730191
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -13.205
flat angles P-C4'-P energy: -3.956
tors. eta vs tors. theta energy: -15.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -212.694888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.694888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.742706 (E_RNA)
where:
Base-Base interactions energy: -146.305
where: short stacking energy: -63.906
Base-Backbone interact. energy: 0.236
local terms energy: -66.674575
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -15.648
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: 334
Temperature: 1.100000
Total energy: -207.079044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.079044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.141726 (E_RNA)
where:
Base-Base interactions energy: -147.476
where: short stacking energy: -61.132
Base-Backbone interact. energy: -0.596
local terms energy: -59.069411
where:
bonds (distance) C4'-P energy: -9.983
bonds (distance) P-C4' energy: -12.636
flat angles C4'-P-C4' energy: -12.894
flat angles P-C4'-P energy: -7.670
tors. eta vs tors. theta energy: -15.887
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: 334
Temperature: 1.150000
Total energy: -213.933644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.933644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.935045 (E_RNA)
where:
Base-Base interactions energy: -153.832
where: short stacking energy: -56.217
Base-Backbone interact. energy: -0.013
local terms energy: -60.089603
where:
bonds (distance) C4'-P energy: -11.899
bonds (distance) P-C4' energy: -13.262
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -6.292
tors. eta vs tors. theta energy: -15.999
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: 334
Temperature: 1.200000
Total energy: -199.710406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.710406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.717574 (E_RNA)
where:
Base-Base interactions energy: -133.871
where: short stacking energy: -50.656
Base-Backbone interact. energy: -0.127
local terms energy: -65.720081
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -11.158
tors. eta vs tors. theta energy: -13.174
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: 1
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -195.845141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.845141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.902998 (E_RNA)
where:
Base-Base interactions energy: -140.632
where: short stacking energy: -56.651
Base-Backbone interact. energy: -0.108
local terms energy: -55.163084
where:
bonds (distance) C4'-P energy: -7.585
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -8.059
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -16.424
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: 9, replica: 4
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -174.741894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.741894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.300704 (E_RNA)
where:
Base-Base interactions energy: -127.637
where: short stacking energy: -51.198
Base-Backbone interact. energy: -0.303
local terms energy: -55.361312
where:
bonds (distance) C4'-P energy: -13.161
bonds (distance) P-C4' energy: -8.256
flat angles C4'-P-C4' energy: -10.486
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -14.396
Dist. restrs. and SS energy: 8.559 (S_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: 334
Temperature: 1.350000
Total energy: -194.253658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.253658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.536020 (E_RNA)
where:
Base-Base interactions energy: -138.147
where: short stacking energy: -50.760
Base-Backbone interact. energy: -0.032
local terms energy: -56.357742
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -11.664
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -5.186
tors. eta vs tors. theta energy: -14.253
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: 1, replica: 5
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -226.329884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.329884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.447717 (E_RNA)
where:
Base-Base interactions energy: -158.662
where: short stacking energy: -69.274
Base-Backbone interact. energy: 1.375
local terms energy: -69.160710
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -10.705
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -20.208
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: 335
Temperature: 0.950000
Total energy: -229.578227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.578227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.578227 (E_RNA)
where:
Base-Base interactions energy: -171.533
where: short stacking energy: -68.742
Base-Backbone interact. energy: -0.005
local terms energy: -58.039874
where:
bonds (distance) C4'-P energy: -10.777
bonds (distance) P-C4' energy: -10.103
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -5.189
tors. eta vs tors. theta energy: -17.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -227.969218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.969218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.969218 (E_RNA)
where:
Base-Base interactions energy: -168.582
where: short stacking energy: -64.215
Base-Backbone interact. energy: -0.038
local terms energy: -59.349165
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -12.181
flat angles P-C4'-P energy: -5.953
tors. eta vs tors. theta energy: -13.823
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -209.261854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.261854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.353197 (E_RNA)
where:
Base-Base interactions energy: -147.094
where: short stacking energy: -55.539
Base-Backbone interact. energy: -0.000
local terms energy: -62.258899
where:
bonds (distance) C4'-P energy: -6.610
bonds (distance) P-C4' energy: -12.117
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -16.314
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: 10
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -204.610981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.610981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.679350 (E_RNA)
where:
Base-Base interactions energy: -146.137
where: short stacking energy: -64.064
Base-Backbone interact. energy: -0.400
local terms energy: -58.142897
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -10.913
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: -14.373
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: 9
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -214.114533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.114533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.160415 (E_RNA)
where:
Base-Base interactions energy: -160.084
where: short stacking energy: -59.305
Base-Backbone interact. energy: -0.013
local terms energy: -54.063459
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -11.534
flat angles P-C4'-P energy: -0.952
tors. eta vs tors. theta energy: -16.096
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: 8
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -199.221343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.221343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.354552 (E_RNA)
where:
Base-Base interactions energy: -141.085
where: short stacking energy: -54.750
Base-Backbone interact. energy: -0.012
local terms energy: -58.257699
where:
bonds (distance) C4'-P energy: -12.122
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -1.232
tors. eta vs tors. theta energy: -17.057
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: 8, replica: 4
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -185.956520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.956520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.616601 (E_RNA)
where:
Base-Base interactions energy: -136.657
where: short stacking energy: -58.182
Base-Backbone interact. energy: -0.050
local terms energy: -55.909927
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -6.423
flat angles C4'-P-C4' energy: -11.534
flat angles P-C4'-P energy: -7.581
tors. eta vs tors. theta energy: -17.748
Dist. restrs. and SS energy: 6.660 (S_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: 335
Temperature: 1.300000
Total energy: -201.172679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.172679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.184078 (E_RNA)
where:
Base-Base interactions energy: -150.384
where: short stacking energy: -56.443
Base-Backbone interact. energy: -0.164
local terms energy: -50.636919
where:
bonds (distance) C4'-P energy: -6.981
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -2.143
tors. eta vs tors. theta energy: -16.320
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: 335
Temperature: 1.350000
Total energy: -195.769711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.769711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.790278 (E_RNA)
where:
Base-Base interactions energy: -129.576
where: short stacking energy: -53.170
Base-Backbone interact. energy: -0.004
local terms energy: -66.209987
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -13.188
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -17.765
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: 6
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -230.557069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.557069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.594304 (E_RNA)
where:
Base-Base interactions energy: -171.907
where: short stacking energy: -64.868
Base-Backbone interact. energy: -0.088
local terms energy: -58.598985
where:
bonds (distance) C4'-P energy: -10.558
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -11.742
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: 5
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -216.189116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.189116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.189116 (E_RNA)
where:
Base-Base interactions energy: -150.486
where: short stacking energy: -63.310
Base-Backbone interact. energy: -0.001
local terms energy: -65.701857
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -12.227
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -17.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -236.849935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.849935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.877077 (E_RNA)
where:
Base-Base interactions energy: -173.838
where: short stacking energy: -70.515
Base-Backbone interact. energy: -0.021
local terms energy: -63.018437
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -11.489
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: -17.263
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: 2
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -216.383073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.383073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.396333 (E_RNA)
where:
Base-Base interactions energy: -153.044
where: short stacking energy: -59.888
Base-Backbone interact. energy: -0.039
local terms energy: -63.313490
where:
bonds (distance) C4'-P energy: -13.223
bonds (distance) P-C4' energy: -14.235
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -3.987
tors. eta vs tors. theta energy: -18.384
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: 336
Temperature: 1.100000
Total energy: -214.228726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.228726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.230916 (E_RNA)
where:
Base-Base interactions energy: -162.700
where: short stacking energy: -61.475
Base-Backbone interact. energy: -0.244
local terms energy: -51.287183
where:
bonds (distance) C4'-P energy: -10.720
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -10.563
flat angles P-C4'-P energy: -0.916
tors. eta vs tors. theta energy: -15.478
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: 10
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -204.752985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.752985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.767447 (E_RNA)
where:
Base-Base interactions energy: -148.963
where: short stacking energy: -60.749
Base-Backbone interact. energy: -0.158
local terms energy: -55.646913
where:
bonds (distance) C4'-P energy: -8.157
bonds (distance) P-C4' energy: -9.210
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: -16.113
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: 8
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -205.391257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.391257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.482082 (E_RNA)
where:
Base-Base interactions energy: -143.131
where: short stacking energy: -56.852
Base-Backbone interact. energy: -0.001
local terms energy: -62.350676
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -12.127
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -7.668
tors. eta vs tors. theta energy: -15.156
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: 336
Temperature: 1.250000
Total energy: -185.083840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.083840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.864357 (E_RNA)
where:
Base-Base interactions energy: -136.429
where: short stacking energy: -65.053
Base-Backbone interact. energy: -0.053
local terms energy: -57.381811
where:
bonds (distance) C4'-P energy: -9.692
bonds (distance) P-C4' energy: -8.932
flat angles C4'-P-C4' energy: -11.608
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -17.014
Dist. restrs. and SS energy: 8.781 (S_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: 336
Temperature: 1.300000
Total energy: -198.330938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.330938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.581613 (E_RNA)
where:
Base-Base interactions energy: -141.260
where: short stacking energy: -55.134
Base-Backbone interact. energy: -0.402
local terms energy: -56.919322
where:
bonds (distance) C4'-P energy: -7.962
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -11.823
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -12.544
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: 10, replica: 1
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -192.902361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.902361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.038114 (E_RNA)
where:
Base-Base interactions energy: -139.680
where: short stacking energy: -49.786
Base-Backbone interact. energy: -0.081
local terms energy: -53.277712
where:
bonds (distance) C4'-P energy: -9.710
bonds (distance) P-C4' energy: -9.685
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -6.327
tors. eta vs tors. theta energy: -14.871
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: 1, replica: 6
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -227.607443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.607443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.630786 (E_RNA)
where:
Base-Base interactions energy: -167.614
where: short stacking energy: -68.599
Base-Backbone interact. energy: 0.124
local terms energy: -60.140887
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -12.465
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: -13.093
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: 3
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -230.575673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.575673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.590431 (E_RNA)
where:
Base-Base interactions energy: -168.483
where: short stacking energy: -65.979
Base-Backbone interact. energy: -0.043
local terms energy: -62.064928
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -9.078
flat angles P-C4'-P energy: -7.387
tors. eta vs tors. theta energy: -17.208
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: 5
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -224.326242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.326242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.528205 (E_RNA)
where:
Base-Base interactions energy: -164.667
where: short stacking energy: -67.287
Base-Backbone interact. energy: -0.301
local terms energy: -59.560586
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -11.570
flat angles P-C4'-P energy: -5.565
tors. eta vs tors. theta energy: -16.747
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: 4, replica: 9
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -224.155917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.155917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.168599 (E_RNA)
where:
Base-Base interactions energy: -166.218
where: short stacking energy: -64.290
Base-Backbone interact. energy: -0.030
local terms energy: -57.920466
where:
bonds (distance) C4'-P energy: -10.931
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -5.960
tors. eta vs tors. theta energy: -14.417
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: 2
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -213.923093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.923093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.943481 (E_RNA)
where:
Base-Base interactions energy: -145.033
where: short stacking energy: -57.344
Base-Backbone interact. energy: -0.163
local terms energy: -68.746790
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -11.203
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -16.651
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: 8
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -204.606857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.606857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.769800 (E_RNA)
where:
Base-Base interactions energy: -137.338
where: short stacking energy: -49.789
Base-Backbone interact. energy: -0.097
local terms energy: -67.334924
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: -18.052
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: 7, replica: 10
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -206.939642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.939642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.051728 (E_RNA)
where:
Base-Base interactions energy: -149.367
where: short stacking energy: -66.667
Base-Backbone interact. energy: -0.005
local terms energy: -57.680285
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -10.164
flat angles C4'-P-C4' energy: -11.073
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -14.780
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: 7
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -197.576729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.576729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.634263 (E_RNA)
where:
Base-Base interactions energy: -133.924
where: short stacking energy: -53.679
Base-Backbone interact. energy: -0.158
local terms energy: -63.552350
where:
bonds (distance) C4'-P energy: -9.466
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -15.062
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: 9, replica: 4
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -179.095319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.095319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.555024 (E_RNA)
where:
Base-Base interactions energy: -127.048
where: short stacking energy: -53.723
Base-Backbone interact. energy: -1.237
local terms energy: -59.270105
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -11.920
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: 1
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -190.810771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.810771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.906567 (E_RNA)
where:
Base-Base interactions energy: -135.235
where: short stacking energy: -58.885
Base-Backbone interact. energy: -0.009
local terms energy: -55.662402
where:
bonds (distance) C4'-P energy: -10.346
bonds (distance) P-C4' energy: -10.612
flat angles C4'-P-C4' energy: -11.562
flat angles P-C4'-P energy: -5.259
tors. eta vs tors. theta energy: -17.883
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: 1, replica: 6
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -232.128430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.128430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.147747 (E_RNA)
where:
Base-Base interactions energy: -173.685
where: short stacking energy: -69.839
Base-Backbone interact. energy: -0.076
local terms energy: -58.387161
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -11.639
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -5.958
tors. eta vs tors. theta energy: -15.843
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: 338
Temperature: 0.950000
Total energy: -233.195362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.195362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.294640 (E_RNA)
where:
Base-Base interactions energy: -171.231
where: short stacking energy: -70.348
Base-Backbone interact. energy: -0.093
local terms energy: -61.970936
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -13.347
flat angles P-C4'-P energy: -5.613
tors. eta vs tors. theta energy: -16.638
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: 3, replica: 9
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -232.452391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.452391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.500806 (E_RNA)
where:
Base-Base interactions energy: -171.876
where: short stacking energy: -70.508
Base-Backbone interact. energy: -0.042
local terms energy: -60.582381
where:
bonds (distance) C4'-P energy: -11.274
bonds (distance) P-C4' energy: -11.668
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -5.947
tors. eta vs tors. theta energy: -16.001
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: 5
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -216.304210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.304210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.424905 (E_RNA)
where:
Base-Base interactions energy: -155.169
where: short stacking energy: -60.646
Base-Backbone interact. energy: -0.009
local terms energy: -61.246418
where:
bonds (distance) C4'-P energy: -12.114
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -12.823
flat angles P-C4'-P energy: -6.284
tors. eta vs tors. theta energy: -17.786
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: 8
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -206.144997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.144997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.181907 (E_RNA)
where:
Base-Base interactions energy: -155.174
where: short stacking energy: -58.870
Base-Backbone interact. energy: -0.361
local terms energy: -50.646789
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -9.256
flat angles C4'-P-C4' energy: -10.612
flat angles P-C4'-P energy: -4.641
tors. eta vs tors. theta energy: -12.941
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: 2
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -216.962806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.962806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.060051 (E_RNA)
where:
Base-Base interactions energy: -151.724
where: short stacking energy: -60.748
Base-Backbone interact. energy: -0.206
local terms energy: -65.130713
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -9.177
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -18.602
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: 7
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -200.820356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.820356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.831867 (E_RNA)
where:
Base-Base interactions energy: -139.645
where: short stacking energy: -55.848
Base-Backbone interact. energy: 0.276
local terms energy: -61.462803
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -14.120
flat angles P-C4'-P energy: -8.424
tors. eta vs tors. theta energy: -13.558
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: 10
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -200.106002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.106002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.111382 (E_RNA)
where:
Base-Base interactions energy: -138.168
where: short stacking energy: -56.987
Base-Backbone interact. energy: 1.645
local terms energy: -63.587844
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -7.604
tors. eta vs tors. theta energy: -16.392
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: 1
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -200.625524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.625524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.688188 (E_RNA)
where:
Base-Base interactions energy: -143.901
where: short stacking energy: -54.662
Base-Backbone interact. energy: -0.101
local terms energy: -56.685347
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -9.240
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -6.776
tors. eta vs tors. theta energy: -15.154
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: 4
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -178.641907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.641907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.529181 (E_RNA)
where:
Base-Base interactions energy: -131.106
where: short stacking energy: -51.787
Base-Backbone interact. energy: -0.008
local terms energy: -54.414496
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -9.823
flat angles P-C4'-P energy: -4.549
tors. eta vs tors. theta energy: -12.801
Dist. restrs. and SS energy: 6.887 (S_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: 339
Temperature: 0.900000
Total energy: -240.268948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.268948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.287117 (E_RNA)
where:
Base-Base interactions energy: -177.957
where: short stacking energy: -74.977
Base-Backbone interact. energy: -0.026
local terms energy: -62.303973
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -12.471
flat angles C4'-P-C4' energy: -12.528
flat angles P-C4'-P energy: -7.112
tors. eta vs tors. theta energy: -17.770
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: 339
Temperature: 0.950000
Total energy: -233.624314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.624314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.671157 (E_RNA)
where:
Base-Base interactions energy: -167.630
where: short stacking energy: -65.656
Base-Backbone interact. energy: -0.172
local terms energy: -65.869469
where:
bonds (distance) C4'-P energy: -15.497
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -6.044
tors. eta vs tors. theta energy: -17.154
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: 339
Temperature: 1.000000
Total energy: -239.027661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.027661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.027661 (E_RNA)
where:
Base-Base interactions energy: -167.632
where: short stacking energy: -67.003
Base-Backbone interact. energy: -0.330
local terms energy: -71.066008
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -8.076
tors. eta vs tors. theta energy: -17.565
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -212.682669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.682669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.758427 (E_RNA)
where:
Base-Base interactions energy: -150.693
where: short stacking energy: -66.651
Base-Backbone interact. energy: -0.280
local terms energy: -61.785088
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -10.992
flat angles C4'-P-C4' energy: -11.398
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -15.704
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: 8
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -208.135692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.135692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.148644 (E_RNA)
where:
Base-Base interactions energy: -143.135
where: short stacking energy: -57.412
Base-Backbone interact. energy: -0.001
local terms energy: -65.013120
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -8.100
tors. eta vs tors. theta energy: -17.746
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: 339
Temperature: 1.150000
Total energy: -204.150230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.150230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.163291 (E_RNA)
where:
Base-Base interactions energy: -148.484
where: short stacking energy: -58.187
Base-Backbone interact. energy: -0.685
local terms energy: -54.994068
where:
bonds (distance) C4'-P energy: -6.502
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -9.763
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -14.973
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: 2
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -199.373460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.373460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.447858 (E_RNA)
where:
Base-Base interactions energy: -140.132
where: short stacking energy: -62.283
Base-Backbone interact. energy: -0.006
local terms energy: -59.309057
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -6.043
tors. eta vs tors. theta energy: -15.285
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: 1
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -190.869250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.869250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.007351 (E_RNA)
where:
Base-Base interactions energy: -133.231
where: short stacking energy: -56.418
Base-Backbone interact. energy: -0.065
local terms energy: -57.711052
where:
bonds (distance) C4'-P energy: -11.035
bonds (distance) P-C4' energy: -13.860
flat angles C4'-P-C4' energy: -11.299
flat angles P-C4'-P energy: -7.951
tors. eta vs tors. theta energy: -13.566
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: 9, replica: 10
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -198.394332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.394332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.500638 (E_RNA)
where:
Base-Base interactions energy: -137.781
where: short stacking energy: -54.167
Base-Backbone interact. energy: -0.005
local terms energy: -60.714274
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -11.677
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -6.220
tors. eta vs tors. theta energy: -16.167
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: 4
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -177.444988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.444988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.412212 (E_RNA)
where:
Base-Base interactions energy: -128.454
where: short stacking energy: -59.163
Base-Backbone interact. energy: -0.002
local terms energy: -57.955666
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -11.445
flat angles P-C4'-P energy: -5.625
tors. eta vs tors. theta energy: -16.762
Dist. restrs. and SS energy: 8.967 (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: 9
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -239.750946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.750946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.750946 (E_RNA)
where:
Base-Base interactions energy: -176.757
where: short stacking energy: -74.622
Base-Backbone interact. energy: -0.470
local terms energy: -62.524198
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -2.932
tors. eta vs tors. theta energy: -18.324
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -223.236353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.236353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.301512 (E_RNA)
where:
Base-Base interactions energy: -166.310
where: short stacking energy: -63.234
Base-Backbone interact. energy: -0.114
local terms energy: -56.877698
where:
bonds (distance) C4'-P energy: -10.388
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -10.656
flat angles P-C4'-P energy: -6.906
tors. eta vs tors. theta energy: -14.582
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: 3
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -217.074632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.074632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.197058 (E_RNA)
where:
Base-Base interactions energy: -151.733
where: short stacking energy: -64.399
Base-Backbone interact. energy: 0.583
local terms energy: -66.047748
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -17.264
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: 5
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -220.455581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.455581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.463912 (E_RNA)
where:
Base-Base interactions energy: -158.417
where: short stacking energy: -63.512
Base-Backbone interact. energy: -0.005
local terms energy: -62.041289
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: -15.317
flat angles P-C4'-P energy: -5.347
tors. eta vs tors. theta energy: -17.509
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: 340
Temperature: 1.100000
Total energy: -202.921107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.921107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.058412 (E_RNA)
where:
Base-Base interactions energy: -148.117
where: short stacking energy: -59.084
Base-Backbone interact. energy: -0.028
local terms energy: -54.913250
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -11.025
flat angles P-C4'-P energy: -5.408
tors. eta vs tors. theta energy: -12.864
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: 7
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -204.919924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.919924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.952083 (E_RNA)
where:
Base-Base interactions energy: -151.676
where: short stacking energy: -58.263
Base-Backbone interact. energy: -0.196
local terms energy: -53.079594
where:
bonds (distance) C4'-P energy: -4.701
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -12.591
flat angles P-C4'-P energy: -6.638
tors. eta vs tors. theta energy: -15.445
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: 1
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -204.227448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.227448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.247474 (E_RNA)
where:
Base-Base interactions energy: -153.267
where: short stacking energy: -62.542
Base-Backbone interact. energy: 0.176
local terms energy: -51.155957
where:
bonds (distance) C4'-P energy: -8.555
bonds (distance) P-C4' energy: -11.938
flat angles C4'-P-C4' energy: -2.082
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: -18.904
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: 2
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -202.558706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.558706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.652888 (E_RNA)
where:
Base-Base interactions energy: -143.490
where: short stacking energy: -61.646
Base-Backbone interact. energy: -0.083
local terms energy: -59.079966
where:
bonds (distance) C4'-P energy: -10.558
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -6.180
tors. eta vs tors. theta energy: -14.156
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: 9, replica: 10
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -205.812169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.812169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.909117 (E_RNA)
where:
Base-Base interactions energy: -151.956
where: short stacking energy: -59.690
Base-Backbone interact. energy: -0.001
local terms energy: -53.952735
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -6.202
flat angles C4'-P-C4' energy: -12.911
flat angles P-C4'-P energy: -5.706
tors. eta vs tors. theta energy: -16.078
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: 340
Temperature: 1.350000
Total energy: -172.060932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.060932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.192666 (E_RNA)
where:
Base-Base interactions energy: -122.744
where: short stacking energy: -50.774
Base-Backbone interact. energy: -0.001
local terms energy: -56.447765
where:
bonds (distance) C4'-P energy: -9.465
bonds (distance) P-C4' energy: -9.319
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -14.699
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: 9
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -239.580842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.580842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.664546 (E_RNA)
where:
Base-Base interactions energy: -174.261
where: short stacking energy: -73.671
Base-Backbone interact. energy: -0.356
local terms energy: -65.047018
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -12.182
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -7.309
tors. eta vs tors. theta energy: -17.617
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: 6
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -225.730279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.730279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.773581 (E_RNA)
where:
Base-Base interactions energy: -162.691
where: short stacking energy: -60.201
Base-Backbone interact. energy: -0.157
local terms energy: -62.926361
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -12.440
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: 3
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -212.002448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.002448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.020230 (E_RNA)
where:
Base-Base interactions energy: -153.242
where: short stacking energy: -64.275
Base-Backbone interact. energy: -0.006
local terms energy: -58.772531
where:
bonds (distance) C4'-P energy: -11.371
bonds (distance) P-C4' energy: -12.535
flat angles C4'-P-C4' energy: -10.865
flat angles P-C4'-P energy: -8.424
tors. eta vs tors. theta energy: -15.577
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: 5
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -214.138384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.138384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.301063 (E_RNA)
where:
Base-Base interactions energy: -153.945
where: short stacking energy: -60.513
Base-Backbone interact. energy: -0.804
local terms energy: -59.551484
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -10.076
flat angles P-C4'-P energy: -6.154
tors. eta vs tors. theta energy: -14.823
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: 341
Temperature: 1.100000
Total energy: -211.055783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.055783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.167648 (E_RNA)
where:
Base-Base interactions energy: -148.942
where: short stacking energy: -59.009
Base-Backbone interact. energy: -0.005
local terms energy: -62.220457
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -7.235
tors. eta vs tors. theta energy: -15.065
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: 1
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -203.849211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.849211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.857167 (E_RNA)
where:
Base-Base interactions energy: -143.924
where: short stacking energy: -59.677
Base-Backbone interact. energy: 0.862
local terms energy: -60.795175
where:
bonds (distance) C4'-P energy: -8.862
bonds (distance) P-C4' energy: -11.469
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -11.156
tors. eta vs tors. theta energy: -16.107
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: 341
Temperature: 1.200000
Total energy: -195.344134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.344134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.344134 (E_RNA)
where:
Base-Base interactions energy: -140.041
where: short stacking energy: -54.246
Base-Backbone interact. energy: -0.075
local terms energy: -55.227827
where:
bonds (distance) C4'-P energy: -9.680
bonds (distance) P-C4' energy: -11.904
flat angles C4'-P-C4' energy: -10.884
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -13.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -202.363600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.363600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.377947 (E_RNA)
where:
Base-Base interactions energy: -150.109
where: short stacking energy: -53.751
Base-Backbone interact. energy: -0.042
local terms energy: -52.227611
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -9.180
flat angles C4'-P-C4' energy: -7.865
flat angles P-C4'-P energy: -6.408
tors. eta vs tors. theta energy: -15.762
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: 2
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -194.409989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.409989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.600965 (E_RNA)
where:
Base-Base interactions energy: -135.304
where: short stacking energy: -52.523
Base-Backbone interact. energy: -0.006
local terms energy: -59.290458
where:
bonds (distance) C4'-P energy: -11.667
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -12.315
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -13.223
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: 10, replica: 4
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -179.940867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.940867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.441403 (E_RNA)
where:
Base-Base interactions energy: -131.264
where: short stacking energy: -49.946
Base-Backbone interact. energy: 0.734
local terms energy: -55.911691
where:
bonds (distance) C4'-P energy: -11.134
bonds (distance) P-C4' energy: -12.324
flat angles C4'-P-C4' energy: -10.292
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -13.046
Dist. restrs. and SS energy: 6.501 (S_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: 342
Temperature: 0.900000
Total energy: -231.096004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.096004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.115558 (E_RNA)
where:
Base-Base interactions energy: -168.405
where: short stacking energy: -66.354
Base-Backbone interact. energy: -0.168
local terms energy: -62.542813
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -5.242
tors. eta vs tors. theta energy: -15.712
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: 9
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -229.247718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.247718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.247718 (E_RNA)
where:
Base-Base interactions energy: -170.595
where: short stacking energy: -64.750
Base-Backbone interact. energy: -0.032
local terms energy: -58.621353
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -13.641
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -215.362844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.362844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.389637 (E_RNA)
where:
Base-Base interactions energy: -156.784
where: short stacking energy: -66.281
Base-Backbone interact. energy: -0.009
local terms energy: -58.596936
where:
bonds (distance) C4'-P energy: -8.211
bonds (distance) P-C4' energy: -11.179
flat angles C4'-P-C4' energy: -11.687
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -17.944
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: 342
Temperature: 1.050000
Total energy: -215.844125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.844125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.844125 (E_RNA)
where:
Base-Base interactions energy: -151.515
where: short stacking energy: -61.486
Base-Backbone interact. energy: -0.056
local terms energy: -64.272614
where:
bonds (distance) C4'-P energy: -9.929
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -17.170
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -213.253146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.253146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.302439 (E_RNA)
where:
Base-Base interactions energy: -158.573
where: short stacking energy: -66.703
Base-Backbone interact. energy: -0.057
local terms energy: -54.672965
where:
bonds (distance) C4'-P energy: -10.443
bonds (distance) P-C4' energy: -12.629
flat angles C4'-P-C4' energy: -13.066
flat angles P-C4'-P energy: -3.886
tors. eta vs tors. theta energy: -14.650
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: 6, replica: 8
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -212.599736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.599736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.635599 (E_RNA)
where:
Base-Base interactions energy: -157.664
where: short stacking energy: -63.818
Base-Backbone interact. energy: -0.003
local terms energy: -54.968949
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -9.615
flat angles P-C4'-P energy: -4.658
tors. eta vs tors. theta energy: -16.700
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: 7
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -203.713115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.713115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.805329 (E_RNA)
where:
Base-Base interactions energy: -145.860
where: short stacking energy: -60.426
Base-Backbone interact. energy: -0.003
local terms energy: -57.942268
where:
bonds (distance) C4'-P energy: -6.817
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -10.870
flat angles P-C4'-P energy: -7.912
tors. eta vs tors. theta energy: -16.852
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: 8, replica: 10
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -196.570135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.570135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.578114 (E_RNA)
where:
Base-Base interactions energy: -137.657
where: short stacking energy: -52.076
Base-Backbone interact. energy: -0.145
local terms energy: -58.776226
where:
bonds (distance) C4'-P energy: -8.848
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -13.270
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: 9, replica: 2
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -193.593634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.593634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.593634 (E_RNA)
where:
Base-Base interactions energy: -132.666
where: short stacking energy: -52.648
Base-Backbone interact. energy: -0.010
local terms energy: -60.917154
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -9.791
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -12.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -178.652712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.652712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.106749 (E_RNA)
where:
Base-Base interactions energy: -121.579
where: short stacking energy: -46.337
Base-Backbone interact. energy: -0.092
local terms energy: -64.435721
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -14.817
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: 1, replica: 6
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -237.928923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.928923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.958416 (E_RNA)
where:
Base-Base interactions energy: -172.297
where: short stacking energy: -72.076
Base-Backbone interact. energy: -0.616
local terms energy: -65.046283
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -5.278
tors. eta vs tors. theta energy: -19.068
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: 9
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -231.494704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.494704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.503994 (E_RNA)
where:
Base-Base interactions energy: -167.900
where: short stacking energy: -68.321
Base-Backbone interact. energy: -0.806
local terms energy: -62.798935
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -6.711
tors. eta vs tors. theta energy: -16.897
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: 5
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -220.551016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.551016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.613111 (E_RNA)
where:
Base-Base interactions energy: -158.287
where: short stacking energy: -64.755
Base-Backbone interact. energy: -0.000
local terms energy: -62.325845
where:
bonds (distance) C4'-P energy: -9.545
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -10.584
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -14.490
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: 1
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -216.190773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.190773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.243098 (E_RNA)
where:
Base-Base interactions energy: -155.493
where: short stacking energy: -58.703
Base-Backbone interact. energy: -0.007
local terms energy: -60.742304
where:
bonds (distance) C4'-P energy: -11.337
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -5.197
tors. eta vs tors. theta energy: -15.410
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: 3
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -203.070653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.070653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.243855 (E_RNA)
where:
Base-Base interactions energy: -144.262
where: short stacking energy: -61.347
Base-Backbone interact. energy: 0.347
local terms energy: -59.328462
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -11.307
flat angles C4'-P-C4' energy: -10.138
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: -15.077
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: 6, replica: 7
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -205.799024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.799024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.846178 (E_RNA)
where:
Base-Base interactions energy: -138.282
where: short stacking energy: -51.940
Base-Backbone interact. energy: -0.161
local terms energy: -67.403615
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: -15.509
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: 8
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -201.473537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.473537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.532971 (E_RNA)
where:
Base-Base interactions energy: -145.574
where: short stacking energy: -60.338
Base-Backbone interact. energy: -0.006
local terms energy: -55.953471
where:
bonds (distance) C4'-P energy: -11.058
bonds (distance) P-C4' energy: -12.428
flat angles C4'-P-C4' energy: -8.581
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -13.885
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: 2
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -198.401269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.401269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.480262 (E_RNA)
where:
Base-Base interactions energy: -138.889
where: short stacking energy: -60.437
Base-Backbone interact. energy: -0.012
local terms energy: -59.579084
where:
bonds (distance) C4'-P energy: -9.195
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -12.364
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -15.773
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: 10
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -200.365656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.365656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.396924 (E_RNA)
where:
Base-Base interactions energy: -149.259
where: short stacking energy: -50.794
Base-Backbone interact. energy: -0.015
local terms energy: -51.123519
where:
bonds (distance) C4'-P energy: -11.056
bonds (distance) P-C4' energy: -8.407
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -4.775
tors. eta vs tors. theta energy: -14.144
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: 4
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -172.023949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.023949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.584450 (E_RNA)
where:
Base-Base interactions energy: -126.883
where: short stacking energy: -50.795
Base-Backbone interact. energy: -0.002
local terms energy: -53.699625
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -10.692
flat angles C4'-P-C4' energy: -8.464
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -14.874
Dist. restrs. and SS energy: 8.561 (S_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: 344
Temperature: 0.900000
Total energy: -231.894782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.894782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.897971 (E_RNA)
where:
Base-Base interactions energy: -169.138
where: short stacking energy: -64.484
Base-Backbone interact. energy: -0.041
local terms energy: -62.718542
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -14.602
flat angles P-C4'-P energy: -3.279
tors. eta vs tors. theta energy: -17.251
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: 344
Temperature: 0.950000
Total energy: -227.657463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.657463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.657463 (E_RNA)
where:
Base-Base interactions energy: -171.887
where: short stacking energy: -65.951
Base-Backbone interact. energy: -0.040
local terms energy: -55.730035
where:
bonds (distance) C4'-P energy: -9.941
bonds (distance) P-C4' energy: -12.954
flat angles C4'-P-C4' energy: -11.870
flat angles P-C4'-P energy: -5.221
tors. eta vs tors. theta energy: -15.744
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -215.668971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.668971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.729000 (E_RNA)
where:
Base-Base interactions energy: -154.433
where: short stacking energy: -61.771
Base-Backbone interact. energy: -0.159
local terms energy: -61.136805
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -4.141
tors. eta vs tors. theta energy: -14.864
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: 5
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -211.916342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.916342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.961596 (E_RNA)
where:
Base-Base interactions energy: -146.375
where: short stacking energy: -60.150
Base-Backbone interact. energy: -0.001
local terms energy: -65.586107
where:
bonds (distance) C4'-P energy: -11.952
bonds (distance) P-C4' energy: -11.245
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -11.483
tors. eta vs tors. theta energy: -17.479
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: 7
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -207.475337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.475337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.674869 (E_RNA)
where:
Base-Base interactions energy: -146.664
where: short stacking energy: -61.194
Base-Backbone interact. energy: -0.341
local terms energy: -60.670220
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -12.941
flat angles C4'-P-C4' energy: -9.891
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -16.110
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: 6, replica: 3
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -201.707385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.707385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.822951 (E_RNA)
where:
Base-Base interactions energy: -145.167
where: short stacking energy: -65.016
Base-Backbone interact. energy: -0.001
local terms energy: -56.654701
where:
bonds (distance) C4'-P energy: -10.012
bonds (distance) P-C4' energy: -12.535
flat angles C4'-P-C4' energy: -10.768
flat angles P-C4'-P energy: -5.098
tors. eta vs tors. theta energy: -18.242
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: 2
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -202.168767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.168767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.310738 (E_RNA)
where:
Base-Base interactions energy: -141.317
where: short stacking energy: -58.317
Base-Backbone interact. energy: 0.470
local terms energy: -61.463265
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -4.650
tors. eta vs tors. theta energy: -15.713
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: 8
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -202.940419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.940419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.943850 (E_RNA)
where:
Base-Base interactions energy: -141.460
where: short stacking energy: -63.066
Base-Backbone interact. energy: -0.378
local terms energy: -61.105551
where:
bonds (distance) C4'-P energy: -11.018
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -4.146
tors. eta vs tors. theta energy: -16.744
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: 344
Temperature: 1.300000
Total energy: -171.688133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.688133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.855310 (E_RNA)
where:
Base-Base interactions energy: -130.560
where: short stacking energy: -52.034
Base-Backbone interact. energy: -0.195
local terms energy: -48.100398
where:
bonds (distance) C4'-P energy: -9.175
bonds (distance) P-C4' energy: -11.786
flat angles C4'-P-C4' energy: -6.572
flat angles P-C4'-P energy: -5.061
tors. eta vs tors. theta energy: -15.506
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: 10, replica: 10
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -189.811074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.811074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.251416 (E_RNA)
where:
Base-Base interactions energy: -135.834
where: short stacking energy: -54.927
Base-Backbone interact. energy: -0.004
local terms energy: -54.413750
where:
bonds (distance) C4'-P energy: -10.158
bonds (distance) P-C4' energy: -13.553
flat angles C4'-P-C4' energy: -11.091
flat angles P-C4'-P energy: -3.852
tors. eta vs tors. theta energy: -15.760
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: 6
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -234.791918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.791918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.821207 (E_RNA)
where:
Base-Base interactions energy: -170.415
where: short stacking energy: -71.434
Base-Backbone interact. energy: -0.003
local terms energy: -64.402922
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -12.877
flat angles P-C4'-P energy: -3.978
tors. eta vs tors. theta energy: -18.393
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: 345
Temperature: 0.950000
Total energy: -225.107640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.107640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.198824 (E_RNA)
where:
Base-Base interactions energy: -155.453
where: short stacking energy: -68.002
Base-Backbone interact. energy: -0.017
local terms energy: -69.729544
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -16.971
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: 9
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -215.916749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.916749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.929765 (E_RNA)
where:
Base-Base interactions energy: -149.243
where: short stacking energy: -58.164
Base-Backbone interact. energy: -0.044
local terms energy: -66.643523
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -16.586
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: 5
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -220.325542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.325542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.405545 (E_RNA)
where:
Base-Base interactions energy: -155.899
where: short stacking energy: -63.994
Base-Backbone interact. energy: 0.201
local terms energy: -64.707378
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -11.031
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -14.516
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: 7
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -212.666041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.666041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.686346 (E_RNA)
where:
Base-Base interactions energy: -158.333
where: short stacking energy: -60.626
Base-Backbone interact. energy: -0.080
local terms energy: -54.273858
where:
bonds (distance) C4'-P energy: -9.690
bonds (distance) P-C4' energy: -9.901
flat angles C4'-P-C4' energy: -13.786
flat angles P-C4'-P energy: -3.537
tors. eta vs tors. theta energy: -17.360
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: 2
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -205.734931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.734931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.748981 (E_RNA)
where:
Base-Base interactions energy: -144.130
where: short stacking energy: -53.623
Base-Backbone interact. energy: -0.645
local terms energy: -60.973956
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -9.864
flat angles C4'-P-C4' energy: -11.689
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -15.563
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: 3
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -203.322502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.322502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.372051 (E_RNA)
where:
Base-Base interactions energy: -141.640
where: short stacking energy: -57.949
Base-Backbone interact. energy: -0.000
local terms energy: -61.731945
where:
bonds (distance) C4'-P energy: -10.840
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -12.897
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: 8, replica: 8
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -199.409748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.409748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.439600 (E_RNA)
where:
Base-Base interactions energy: -153.241
where: short stacking energy: -63.587
Base-Backbone interact. energy: -0.013
local terms energy: -46.185381
where:
bonds (distance) C4'-P energy: -10.338
bonds (distance) P-C4' energy: -6.935
flat angles C4'-P-C4' energy: -10.007
flat angles P-C4'-P energy: -4.083
tors. eta vs tors. theta energy: -14.823
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: 4
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -182.707266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.707266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.385018 (E_RNA)
where:
Base-Base interactions energy: -138.391
where: short stacking energy: -50.636
Base-Backbone interact. energy: 0.733
local terms energy: -52.726594
where:
bonds (distance) C4'-P energy: -10.595
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -10.875
flat angles P-C4'-P energy: -6.758
tors. eta vs tors. theta energy: -12.756
Dist. restrs. and SS energy: 7.678 (S_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: 345
Temperature: 1.350000
Total energy: -196.872252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.872252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.117952 (E_RNA)
where:
Base-Base interactions energy: -131.990
where: short stacking energy: -56.306
Base-Backbone interact. energy: -0.019
local terms energy: -65.109549
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -15.600
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: 6
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -234.077973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.077973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.080379 (E_RNA)
where:
Base-Base interactions energy: -172.300
where: short stacking energy: -70.202
Base-Backbone interact. energy: -0.005
local terms energy: -61.774973
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -10.845
flat angles P-C4'-P energy: -4.933
tors. eta vs tors. theta energy: -17.248
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: 346
Temperature: 0.950000
Total energy: -225.705451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.705451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.705451 (E_RNA)
where:
Base-Base interactions energy: -167.046
where: short stacking energy: -65.060
Base-Backbone interact. energy: -0.186
local terms energy: -58.473672
where:
bonds (distance) C4'-P energy: -13.447
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -11.350
flat angles P-C4'-P energy: -3.176
tors. eta vs tors. theta energy: -16.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -212.438934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.438934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.452640 (E_RNA)
where:
Base-Base interactions energy: -150.613
where: short stacking energy: -63.436
Base-Backbone interact. energy: -0.001
local terms energy: -61.838327
where:
bonds (distance) C4'-P energy: -9.201
bonds (distance) P-C4' energy: -12.404
flat angles C4'-P-C4' energy: -11.225
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -18.850
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: 9
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -214.261770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.261770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.261770 (E_RNA)
where:
Base-Base interactions energy: -150.788
where: short stacking energy: -58.693
Base-Backbone interact. energy: -0.035
local terms energy: -63.438989
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -12.337
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -6.673
tors. eta vs tors. theta energy: -17.105
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -209.015805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.015805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.015805 (E_RNA)
where:
Base-Base interactions energy: -161.220
where: short stacking energy: -62.770
Base-Backbone interact. energy: -0.007
local terms energy: -47.788620
where:
bonds (distance) C4'-P energy: -10.269
bonds (distance) P-C4' energy: -9.342
flat angles C4'-P-C4' energy: -12.263
flat angles P-C4'-P energy: -2.442
tors. eta vs tors. theta energy: -13.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -210.658291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.658291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.663868 (E_RNA)
where:
Base-Base interactions energy: -145.681
where: short stacking energy: -57.686
Base-Backbone interact. energy: -0.006
local terms energy: -64.977403
where:
bonds (distance) C4'-P energy: -10.554
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -16.163
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: 3
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -207.586320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.586320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.702560 (E_RNA)
where:
Base-Base interactions energy: -147.054
where: short stacking energy: -63.053
Base-Backbone interact. energy: 0.051
local terms energy: -60.700014
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -9.436
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -16.449
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: 8, replica: 8
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -191.564516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.564516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.691580 (E_RNA)
where:
Base-Base interactions energy: -138.250
where: short stacking energy: -55.140
Base-Backbone interact. energy: -0.015
local terms energy: -53.426064
where:
bonds (distance) C4'-P energy: -7.440
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -11.177
flat angles P-C4'-P energy: -4.926
tors. eta vs tors. theta energy: -15.621
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: 10
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -197.389208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.389208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.389337 (E_RNA)
where:
Base-Base interactions energy: -140.990
where: short stacking energy: -49.222
Base-Backbone interact. energy: -0.111
local terms energy: -56.289054
where:
bonds (distance) C4'-P energy: -5.744
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -11.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -180.392147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.392147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.819998 (E_RNA)
where:
Base-Base interactions energy: -134.894
where: short stacking energy: -53.659
Base-Backbone interact. energy: -0.366
local terms energy: -52.559411
where:
bonds (distance) C4'-P energy: -9.804
bonds (distance) P-C4' energy: -10.976
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: -11.935
Dist. restrs. and SS energy: 7.428 (S_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: 347
Temperature: 0.900000
Total energy: -233.180645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.180645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.238305 (E_RNA)
where:
Base-Base interactions energy: -173.408
where: short stacking energy: -72.368
Base-Backbone interact. energy: -0.252
local terms energy: -59.577592
where:
bonds (distance) C4'-P energy: -10.513
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -12.161
flat angles P-C4'-P energy: -5.276
tors. eta vs tors. theta energy: -17.490
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: 347
Temperature: 0.950000
Total energy: -207.536526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.536526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.589920 (E_RNA)
where:
Base-Base interactions energy: -147.042
where: short stacking energy: -60.013
Base-Backbone interact. energy: -0.289
local terms energy: -60.259334
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: -11.199
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: 5
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -216.477356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.477356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.537914 (E_RNA)
where:
Base-Base interactions energy: -149.561
where: short stacking energy: -63.641
Base-Backbone interact. energy: -0.003
local terms energy: -66.973823
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -10.697
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -17.651
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: 2
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -214.598210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.598210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.709925 (E_RNA)
where:
Base-Base interactions energy: -159.945
where: short stacking energy: -60.628
Base-Backbone interact. energy: -0.045
local terms energy: -54.719173
where:
bonds (distance) C4'-P energy: -10.707
bonds (distance) P-C4' energy: -10.024
flat angles C4'-P-C4' energy: -11.891
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -13.977
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: 5, replica: 9
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -210.234215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.234215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.409540 (E_RNA)
where:
Base-Base interactions energy: -155.386
where: short stacking energy: -58.375
Base-Backbone interact. energy: -0.281
local terms energy: -54.742770
where:
bonds (distance) C4'-P energy: -8.733
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -5.780
tors. eta vs tors. theta energy: -12.838
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: 3
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -194.677979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.677979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.677979 (E_RNA)
where:
Base-Base interactions energy: -143.781
where: short stacking energy: -62.526
Base-Backbone interact. energy: 0.341
local terms energy: -51.237821
where:
bonds (distance) C4'-P energy: -10.736
bonds (distance) P-C4' energy: -10.611
flat angles C4'-P-C4' energy: -13.311
flat angles P-C4'-P energy: -3.615
tors. eta vs tors. theta energy: -12.964
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: 7, replica: 7
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -203.113568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.113568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.116476 (E_RNA)
where:
Base-Base interactions energy: -138.516
where: short stacking energy: -51.490
Base-Backbone interact. energy: -0.001
local terms energy: -64.599527
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -10.584
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -17.118
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: 10
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -202.367425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.367425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.513544 (E_RNA)
where:
Base-Base interactions energy: -147.015
where: short stacking energy: -56.184
Base-Backbone interact. energy: -0.061
local terms energy: -55.437966
where:
bonds (distance) C4'-P energy: -9.351
bonds (distance) P-C4' energy: -9.831
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -11.446
tors. eta vs tors. theta energy: -12.339
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: 9, replica: 8
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -196.505632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.505632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.595277 (E_RNA)
where:
Base-Base interactions energy: -144.378
where: short stacking energy: -60.402
Base-Backbone interact. energy: -0.001
local terms energy: -52.216320
where:
bonds (distance) C4'-P energy: -8.260
bonds (distance) P-C4' energy: -9.754
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -8.626
tors. eta vs tors. theta energy: -11.603
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: 4
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -181.288292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.288292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.305420 (E_RNA)
where:
Base-Base interactions energy: -129.519
where: short stacking energy: -59.191
Base-Backbone interact. energy: -0.159
local terms energy: -59.627746
where:
bonds (distance) C4'-P energy: -11.448
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -6.129
tors. eta vs tors. theta energy: -17.198
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: 348
Temperature: 0.900000
Total energy: -231.884190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.884190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.965347 (E_RNA)
where:
Base-Base interactions energy: -170.514
where: short stacking energy: -64.223
Base-Backbone interact. energy: -0.002
local terms energy: -61.449039
where:
bonds (distance) C4'-P energy: -11.730
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -14.028
flat angles P-C4'-P energy: -3.540
tors. eta vs tors. theta energy: -16.973
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: 1
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -225.258237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.258237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.258237 (E_RNA)
where:
Base-Base interactions energy: -159.487
where: short stacking energy: -62.299
Base-Backbone interact. energy: -0.150
local terms energy: -65.621953
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -7.520
tors. eta vs tors. theta energy: -16.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -225.107425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.107425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.139418 (E_RNA)
where:
Base-Base interactions energy: -165.842
where: short stacking energy: -62.773
Base-Backbone interact. energy: -0.297
local terms energy: -59.000487
where:
bonds (distance) C4'-P energy: -9.466
bonds (distance) P-C4' energy: -11.455
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -6.861
tors. eta vs tors. theta energy: -16.865
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: 5
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -211.049856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.049856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.107155 (E_RNA)
where:
Base-Base interactions energy: -145.567
where: short stacking energy: -61.110
Base-Backbone interact. energy: -0.001
local terms energy: -65.539396
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -14.307
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: 348
Temperature: 1.100000
Total energy: -211.952611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.952611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.032709 (E_RNA)
where:
Base-Base interactions energy: -153.077
where: short stacking energy: -59.306
Base-Backbone interact. energy: -0.001
local terms energy: -58.954242
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -8.352
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -8.793
tors. eta vs tors. theta energy: -13.642
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: 3
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -202.934762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.934762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.934762 (E_RNA)
where:
Base-Base interactions energy: -142.861
where: short stacking energy: -59.736
Base-Backbone interact. energy: -0.216
local terms energy: -59.857436
where:
bonds (distance) C4'-P energy: -10.526
bonds (distance) P-C4' energy: -11.707
flat angles C4'-P-C4' energy: -12.385
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -15.992
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -205.280940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.280940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.353465 (E_RNA)
where:
Base-Base interactions energy: -144.235
where: short stacking energy: -53.830
Base-Backbone interact. energy: -0.104
local terms energy: -61.014166
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -12.342
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: 8, replica: 10
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -204.996605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.996605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.996605 (E_RNA)
where:
Base-Base interactions energy: -145.627
where: short stacking energy: -64.289
Base-Backbone interact. energy: -0.001
local terms energy: -59.368685
where:
bonds (distance) C4'-P energy: -7.194
bonds (distance) P-C4' energy: -11.873
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -7.305
tors. eta vs tors. theta energy: -18.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -183.816105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.816105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.915122 (E_RNA)
where:
Base-Base interactions energy: -129.710
where: short stacking energy: -55.159
Base-Backbone interact. energy: -0.333
local terms energy: -60.872362
where:
bonds (distance) C4'-P energy: -9.159
bonds (distance) P-C4' energy: -10.291
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -16.724
Dist. restrs. and SS energy: 7.099 (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: 8
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -190.778393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.778393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.830047 (E_RNA)
where:
Base-Base interactions energy: -131.503
where: short stacking energy: -56.324
Base-Backbone interact. energy: 0.611
local terms energy: -59.938785
where:
bonds (distance) C4'-P energy: -11.047
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -13.218
flat angles P-C4'-P energy: -8.406
tors. eta vs tors. theta energy: -13.742
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: 6
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -235.892755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.892755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.997191 (E_RNA)
where:
Base-Base interactions energy: -173.685
where: short stacking energy: -71.166
Base-Backbone interact. energy: -0.511
local terms energy: -61.800758
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -11.397
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -3.604
tors. eta vs tors. theta energy: -17.750
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: 2, replica: 1
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -213.911842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.911842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.229730 (E_RNA)
where:
Base-Base interactions energy: -154.578
where: short stacking energy: -68.997
Base-Backbone interact. energy: -0.634
local terms energy: -59.017963
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -9.841
flat angles C4'-P-C4' energy: -12.231
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -14.040
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: 3, replica: 2
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -215.969434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.969434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.995969 (E_RNA)
where:
Base-Base interactions energy: -150.362
where: short stacking energy: -65.620
Base-Backbone interact. energy: -0.001
local terms energy: -65.633156
where:
bonds (distance) C4'-P energy: -11.343
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -11.817
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -17.880
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: 5
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -212.540715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.540715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.606219 (E_RNA)
where:
Base-Base interactions energy: -155.576
where: short stacking energy: -63.433
Base-Backbone interact. energy: -0.003
local terms energy: -57.026398
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -10.875
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -12.093
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: 349
Temperature: 1.100000
Total energy: -205.678582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.678582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.831256 (E_RNA)
where:
Base-Base interactions energy: -139.262
where: short stacking energy: -55.930
Base-Backbone interact. energy: -0.013
local terms energy: -66.556741
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -15.951
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: 6, replica: 7
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -204.848523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.848523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.332548 (E_RNA)
where:
Base-Base interactions energy: -149.925
where: short stacking energy: -59.286
Base-Backbone interact. energy: -0.000
local terms energy: -55.406916
where:
bonds (distance) C4'-P energy: -7.532
bonds (distance) P-C4' energy: -12.303
flat angles C4'-P-C4' energy: -13.389
flat angles P-C4'-P energy: -8.532
tors. eta vs tors. theta energy: -13.653
Dist. restrs. and SS energy: 0.484 (S_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: 349
Temperature: 1.200000
Total energy: -205.769913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.769913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.072918 (E_RNA)
where:
Base-Base interactions energy: -148.897
where: short stacking energy: -57.725
Base-Backbone interact. energy: -0.007
local terms energy: -57.168413
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -12.274
flat angles C4'-P-C4' energy: -10.346
flat angles P-C4'-P energy: -5.356
tors. eta vs tors. theta energy: -16.704
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: 4
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -184.577104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.577104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.513005 (E_RNA)
where:
Base-Base interactions energy: -130.092
where: short stacking energy: -48.861
Base-Backbone interact. energy: -0.014
local terms energy: -62.407217
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -8.003
tors. eta vs tors. theta energy: -12.851
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: 9, replica: 10
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -195.717182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.717182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.782243 (E_RNA)
where:
Base-Base interactions energy: -133.908
where: short stacking energy: -55.086
Base-Backbone interact. energy: -0.047
local terms energy: -61.826324
where:
bonds (distance) C4'-P energy: -13.994
bonds (distance) P-C4' energy: -10.328
flat angles C4'-P-C4' energy: -10.284
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -16.098
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: 10, replica: 8
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -196.836541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.836541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.044876 (E_RNA)
where:
Base-Base interactions energy: -139.620
where: short stacking energy: -58.884
Base-Backbone interact. energy: -0.002
local terms energy: -57.423275
where:
bonds (distance) C4'-P energy: -10.244
bonds (distance) P-C4' energy: -12.446
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -6.268
tors. eta vs tors. theta energy: -14.993
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: 1, replica: 6
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -228.883789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.883789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.904343 (E_RNA)
where:
Base-Base interactions energy: -169.397
where: short stacking energy: -66.687
Base-Backbone interact. energy: -0.016
local terms energy: -59.491363
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -8.648
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -15.177
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: 350
Temperature: 0.950000
Total energy: -212.119908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.119908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.144265 (E_RNA)
where:
Base-Base interactions energy: -144.192
where: short stacking energy: -57.953
Base-Backbone interact. energy: -0.150
local terms energy: -67.801517
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: -14.363
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: 5
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -215.855951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.855951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.856777 (E_RNA)
where:
Base-Base interactions energy: -159.518
where: short stacking energy: -63.320
Base-Backbone interact. energy: -0.006
local terms energy: -56.332919
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: 0.020
tors. eta vs tors. theta energy: -15.226
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: 350
Temperature: 1.050000
Total energy: -214.723025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.723025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.723025 (E_RNA)
where:
Base-Base interactions energy: -157.675
where: short stacking energy: -65.541
Base-Backbone interact. energy: 0.370
local terms energy: -57.417939
where:
bonds (distance) C4'-P energy: -5.806
bonds (distance) P-C4' energy: -11.171
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -18.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -217.166457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.166457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.166457 (E_RNA)
where:
Base-Base interactions energy: -161.257
where: short stacking energy: -60.295
Base-Backbone interact. energy: -0.006
local terms energy: -55.904045
where:
bonds (distance) C4'-P energy: -8.729
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -6.369
tors. eta vs tors. theta energy: -15.521
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -208.749596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.749596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.806771 (E_RNA)
where:
Base-Base interactions energy: -147.904
where: short stacking energy: -56.616
Base-Backbone interact. energy: -0.147
local terms energy: -60.755954
where:
bonds (distance) C4'-P energy: -12.467
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -9.985
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -13.617
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: 7, replica: 4
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -184.201278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.201278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.255686 (E_RNA)
where:
Base-Base interactions energy: -130.739
where: short stacking energy: -52.603
Base-Backbone interact. energy: 0.798
local terms energy: -61.315180
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -12.207
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -7.991
tors. eta vs tors. theta energy: -15.388
Dist. restrs. and SS energy: 7.054 (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: 3
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -198.864160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.864160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.876605 (E_RNA)
where:
Base-Base interactions energy: -140.629
where: short stacking energy: -56.500
Base-Backbone interact. energy: -0.076
local terms energy: -58.171892
where:
bonds (distance) C4'-P energy: -11.354
bonds (distance) P-C4' energy: -11.469
flat angles C4'-P-C4' energy: -10.722
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -13.355
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: 10
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -192.215984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.215984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.280813 (E_RNA)
where:
Base-Base interactions energy: -133.750
where: short stacking energy: -48.405
Base-Backbone interact. energy: -0.538
local terms energy: -57.992615
where:
bonds (distance) C4'-P energy: -9.177
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -10.733
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: 10, replica: 8
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -195.216584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.216584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.411117 (E_RNA)
where:
Base-Base interactions energy: -136.967
where: short stacking energy: -45.547
Base-Backbone interact. energy: -0.273
local terms energy: -58.171145
where:
bonds (distance) C4'-P energy: -9.880
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -10.439
tors. eta vs tors. theta energy: -10.707
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: 1, replica: 6
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -232.750569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.750569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.775332 (E_RNA)
where:
Base-Base interactions energy: -167.141
where: short stacking energy: -69.890
Base-Backbone interact. energy: -0.100
local terms energy: -65.534388
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -4.818
tors. eta vs tors. theta energy: -16.193
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: 5
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -213.386146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.386146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.435651 (E_RNA)
where:
Base-Base interactions energy: -148.407
where: short stacking energy: -61.098
Base-Backbone interact. energy: -0.000
local terms energy: -65.028095
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -6.709
tors. eta vs tors. theta energy: -15.291
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: 3, replica: 1
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -210.420234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.420234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.428737 (E_RNA)
where:
Base-Base interactions energy: -145.807
where: short stacking energy: -59.136
Base-Backbone interact. energy: -0.264
local terms energy: -64.357666
where:
bonds (distance) C4'-P energy: -11.410
bonds (distance) P-C4' energy: -11.820
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -14.688
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: 9
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -210.457243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.457243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.504170 (E_RNA)
where:
Base-Base interactions energy: -148.969
where: short stacking energy: -59.694
Base-Backbone interact. energy: -0.024
local terms energy: -61.510577
where:
bonds (distance) C4'-P energy: -11.741
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -11.994
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -16.553
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: 351
Temperature: 1.100000
Total energy: -218.190815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.190815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.256639 (E_RNA)
where:
Base-Base interactions energy: -154.757
where: short stacking energy: -63.131
Base-Backbone interact. energy: -0.731
local terms energy: -62.769028
where:
bonds (distance) C4'-P energy: -10.848
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -7.321
tors. eta vs tors. theta energy: -17.476
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: 6, replica: 7
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -203.529828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.529828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.546548 (E_RNA)
where:
Base-Base interactions energy: -140.310
where: short stacking energy: -54.522
Base-Backbone interact. energy: -0.100
local terms energy: -63.136179
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -11.056
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -7.123
tors. eta vs tors. theta energy: -14.247
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: 351
Temperature: 1.200000
Total energy: -196.146984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.146984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.189303 (E_RNA)
where:
Base-Base interactions energy: -148.216
where: short stacking energy: -64.421
Base-Backbone interact. energy: -0.076
local terms energy: -55.897974
where:
bonds (distance) C4'-P energy: -8.171
bonds (distance) P-C4' energy: -10.179
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -6.129
tors. eta vs tors. theta energy: -18.229
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: 8, replica: 10
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -202.875085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.875085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.888214 (E_RNA)
where:
Base-Base interactions energy: -143.658
where: short stacking energy: -59.938
Base-Backbone interact. energy: -0.000
local terms energy: -59.229542
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -11.004
flat angles C4'-P-C4' energy: -10.259
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -15.054
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: 3
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -203.413619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.413619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.436707 (E_RNA)
where:
Base-Base interactions energy: -137.536
where: short stacking energy: -55.172
Base-Backbone interact. energy: -0.001
local terms energy: -65.899930
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -13.037
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -6.320
tors. eta vs tors. theta energy: -18.869
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: 10, replica: 8
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -192.684368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.684368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.684368 (E_RNA)
where:
Base-Base interactions energy: -134.530
where: short stacking energy: -50.201
Base-Backbone interact. energy: -0.033
local terms energy: -58.121625
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -9.453
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -4.112
tors. eta vs tors. theta energy: -17.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -236.444873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.444873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.528569 (E_RNA)
where:
Base-Base interactions energy: -170.821
where: short stacking energy: -66.426
Base-Backbone interact. energy: -1.063
local terms energy: -64.644857
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -5.469
tors. eta vs tors. theta energy: -18.394
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: 5
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -216.300288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.300288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.425036 (E_RNA)
where:
Base-Base interactions energy: -145.953
where: short stacking energy: -59.716
Base-Backbone interact. energy: -0.009
local terms energy: -70.463320
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: -16.350
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: 3, replica: 1
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -218.446255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.446255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.479022 (E_RNA)
where:
Base-Base interactions energy: -156.049
where: short stacking energy: -62.049
Base-Backbone interact. energy: -0.029
local terms energy: -62.400935
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -11.495
flat angles P-C4'-P energy: -4.312
tors. eta vs tors. theta energy: -19.552
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: 352
Temperature: 1.050000
Total energy: -212.223018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.223018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.231336 (E_RNA)
where:
Base-Base interactions energy: -147.873
where: short stacking energy: -61.821
Base-Backbone interact. energy: -0.449
local terms energy: -63.909028
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -11.026
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -15.514
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: 352
Temperature: 1.100000
Total energy: -218.520791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.520791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.529218 (E_RNA)
where:
Base-Base interactions energy: -159.855
where: short stacking energy: -62.342
Base-Backbone interact. energy: -0.001
local terms energy: -58.673640
where:
bonds (distance) C4'-P energy: -9.318
bonds (distance) P-C4' energy: -11.089
flat angles C4'-P-C4' energy: -14.657
flat angles P-C4'-P energy: -5.219
tors. eta vs tors. theta energy: -18.390
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: 352
Temperature: 1.150000
Total energy: -206.201282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.201282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.301325 (E_RNA)
where:
Base-Base interactions energy: -153.346
where: short stacking energy: -58.024
Base-Backbone interact. energy: 0.693
local terms energy: -53.647731
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -10.129
flat angles C4'-P-C4' energy: -12.568
flat angles P-C4'-P energy: -4.095
tors. eta vs tors. theta energy: -13.602
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: 10
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -208.606573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.606573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.663403 (E_RNA)
where:
Base-Base interactions energy: -147.285
where: short stacking energy: -60.578
Base-Backbone interact. energy: 0.320
local terms energy: -61.698421
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -13.436
flat angles C4'-P-C4' energy: -9.437
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -17.382
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: 352
Temperature: 1.250000
Total energy: -178.363277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.363277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.544817 (E_RNA)
where:
Base-Base interactions energy: -130.550
where: short stacking energy: -57.997
Base-Backbone interact. energy: -0.587
local terms energy: -55.407942
where:
bonds (distance) C4'-P energy: -8.418
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -3.935
tors. eta vs tors. theta energy: -12.830
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: 9, replica: 8
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -199.156609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.156609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.231662 (E_RNA)
where:
Base-Base interactions energy: -135.247
where: short stacking energy: -49.522
Base-Backbone interact. energy: -0.403
local terms energy: -63.581273
where:
bonds (distance) C4'-P energy: -10.411
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -12.504
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: 3
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -198.114645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.114645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.269204 (E_RNA)
where:
Base-Base interactions energy: -144.231
where: short stacking energy: -53.227
Base-Backbone interact. energy: -0.507
local terms energy: -53.531097
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -10.174
flat angles C4'-P-C4' energy: -9.822
flat angles P-C4'-P energy: -5.649
tors. eta vs tors. theta energy: -17.298
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: 1, replica: 6
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -234.537407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.537407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.541849 (E_RNA)
where:
Base-Base interactions energy: -174.045
where: short stacking energy: -71.715
Base-Backbone interact. energy: -0.154
local terms energy: -60.342426
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -12.003
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -4.092
tors. eta vs tors. theta energy: -17.939
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: 1
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -219.813675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.813675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.842862 (E_RNA)
where:
Base-Base interactions energy: -161.434
where: short stacking energy: -64.238
Base-Backbone interact. energy: -0.052
local terms energy: -58.356942
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -7.730
flat angles P-C4'-P energy: -5.453
tors. eta vs tors. theta energy: -18.500
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: 5
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -220.697558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.697558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.779069 (E_RNA)
where:
Base-Base interactions energy: -165.251
where: short stacking energy: -66.046
Base-Backbone interact. energy: -0.124
local terms energy: -55.404379
where:
bonds (distance) C4'-P energy: -9.247
bonds (distance) P-C4' energy: -12.235
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -3.892
tors. eta vs tors. theta energy: -16.291
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: 7
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -216.080518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.080518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.094206 (E_RNA)
where:
Base-Base interactions energy: -148.659
where: short stacking energy: -68.431
Base-Backbone interact. energy: -0.000
local terms energy: -67.435277
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -16.830
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: 9
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -207.107418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.107418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.212753 (E_RNA)
where:
Base-Base interactions energy: -146.445
where: short stacking energy: -61.725
Base-Backbone interact. energy: -0.000
local terms energy: -60.767858
where:
bonds (distance) C4'-P energy: -9.262
bonds (distance) P-C4' energy: -12.293
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -16.340
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: 2
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -208.851335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.851335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.022877 (E_RNA)
where:
Base-Base interactions energy: -140.795
where: short stacking energy: -58.271
Base-Backbone interact. energy: -0.004
local terms energy: -68.223231
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: -16.056
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: 7, replica: 10
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -208.306311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.306311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.356250 (E_RNA)
where:
Base-Base interactions energy: -146.995
where: short stacking energy: -59.707
Base-Backbone interact. energy: -0.135
local terms energy: -61.225431
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -11.148
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -6.154
tors. eta vs tors. theta energy: -16.858
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: 8, replica: 8
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -208.245097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.245097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.322883 (E_RNA)
where:
Base-Base interactions energy: -148.416
where: short stacking energy: -60.035
Base-Backbone interact. energy: -0.238
local terms energy: -59.668141
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -10.166
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: -15.960
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: 353
Temperature: 1.300000
Total energy: -173.389668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.389668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.567608 (E_RNA)
where:
Base-Base interactions energy: -122.616
where: short stacking energy: -55.110
Base-Backbone interact. energy: 0.088
local terms energy: -58.039305
where:
bonds (distance) C4'-P energy: -10.554
bonds (distance) P-C4' energy: -9.586
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -14.245
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: 3
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -192.285649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.285649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.513614 (E_RNA)
where:
Base-Base interactions energy: -135.582
where: short stacking energy: -60.492
Base-Backbone interact. energy: -0.090
local terms energy: -56.841916
where:
bonds (distance) C4'-P energy: -3.873
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -11.541
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -17.590
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: 1, replica: 1
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -217.322695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.322695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.322695 (E_RNA)
where:
Base-Base interactions energy: -150.328
where: short stacking energy: -59.811
Base-Backbone interact. energy: 0.173
local terms energy: -67.167038
where:
bonds (distance) C4'-P energy: -12.483
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: -17.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -229.784099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.784099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.953155 (E_RNA)
where:
Base-Base interactions energy: -173.014
where: short stacking energy: -71.456
Base-Backbone interact. energy: -0.001
local terms energy: -56.937792
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -11.136
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -3.376
tors. eta vs tors. theta energy: -17.692
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: 3, replica: 5
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -225.433615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.433615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.446155 (E_RNA)
where:
Base-Base interactions energy: -166.212
where: short stacking energy: -60.154
Base-Backbone interact. energy: -0.286
local terms energy: -58.948806
where:
bonds (distance) C4'-P energy: -11.620
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -4.091
tors. eta vs tors. theta energy: -15.714
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: 7
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -213.611527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.611527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.619730 (E_RNA)
where:
Base-Base interactions energy: -144.120
where: short stacking energy: -59.504
Base-Backbone interact. energy: -0.010
local terms energy: -69.489070
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -17.334
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: 354
Temperature: 1.100000
Total energy: -216.212470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.212470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.474521 (E_RNA)
where:
Base-Base interactions energy: -159.293
where: short stacking energy: -68.760
Base-Backbone interact. energy: -0.003
local terms energy: -57.178456
where:
bonds (distance) C4'-P energy: -10.994
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -13.141
flat angles P-C4'-P energy: -5.242
tors. eta vs tors. theta energy: -11.577
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: 9
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -204.528554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.528554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.604996 (E_RNA)
where:
Base-Base interactions energy: -140.574
where: short stacking energy: -57.910
Base-Backbone interact. energy: -0.001
local terms energy: -64.029792
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -11.570
flat angles C4'-P-C4' energy: -12.037
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -16.538
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: 8
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -201.188288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.188288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.188288 (E_RNA)
where:
Base-Base interactions energy: -136.822
where: short stacking energy: -55.832
Base-Backbone interact. energy: -0.316
local terms energy: -64.049962
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -10.029
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -17.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -196.981752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.981752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.014364 (E_RNA)
where:
Base-Base interactions energy: -140.771
where: short stacking energy: -61.298
Base-Backbone interact. energy: 0.346
local terms energy: -56.588459
where:
bonds (distance) C4'-P energy: -9.096
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -11.937
flat angles P-C4'-P energy: -4.837
tors. eta vs tors. theta energy: -15.785
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: 3
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -213.446955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.446955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.577150 (E_RNA)
where:
Base-Base interactions energy: -156.434
where: short stacking energy: -61.347
Base-Backbone interact. energy: -0.052
local terms energy: -57.091701
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -11.504
flat angles C4'-P-C4' energy: -11.101
flat angles P-C4'-P energy: -3.474
tors. eta vs tors. theta energy: -17.345
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: 4
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -171.868850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.868850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.683633 (E_RNA)
where:
Base-Base interactions energy: -123.896
where: short stacking energy: -53.768
Base-Backbone interact. energy: -0.168
local terms energy: -55.619458
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -10.749
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -6.089
tors. eta vs tors. theta energy: -14.234
Dist. restrs. and SS energy: 7.815 (S_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: 355
Temperature: 0.900000
Total energy: -228.111327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.111327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.124789 (E_RNA)
where:
Base-Base interactions energy: -157.878
where: short stacking energy: -66.967
Base-Backbone interact. energy: -0.273
local terms energy: -69.973171
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -11.411
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -18.924
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: 6
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -229.978827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.978827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.012313 (E_RNA)
where:
Base-Base interactions energy: -165.944
where: short stacking energy: -64.347
Base-Backbone interact. energy: -0.010
local terms energy: -64.057589
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -4.538
tors. eta vs tors. theta energy: -17.994
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: 5
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -231.862439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.862439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.934418 (E_RNA)
where:
Base-Base interactions energy: -173.366
where: short stacking energy: -69.770
Base-Backbone interact. energy: -0.007
local terms energy: -58.561009
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -12.639
flat angles C4'-P-C4' energy: -11.554
flat angles P-C4'-P energy: -5.808
tors. eta vs tors. theta energy: -16.730
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: 7
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -210.610378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.610378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.611805 (E_RNA)
where:
Base-Base interactions energy: -151.703
where: short stacking energy: -58.162
Base-Backbone interact. energy: -0.945
local terms energy: -57.963762
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -10.661
flat angles P-C4'-P energy: -4.681
tors. eta vs tors. theta energy: -14.029
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: 2
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -206.491376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.491376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.562219 (E_RNA)
where:
Base-Base interactions energy: -147.916
where: short stacking energy: -59.792
Base-Backbone interact. energy: -0.131
local terms energy: -58.515254
where:
bonds (distance) C4'-P energy: -9.995
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -10.315
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -14.656
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: 8
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -202.406112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.406112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.429590 (E_RNA)
where:
Base-Base interactions energy: -147.965
where: short stacking energy: -61.479
Base-Backbone interact. energy: -0.085
local terms energy: -54.378994
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -10.348
flat angles C4'-P-C4' energy: -9.839
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -13.998
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: 9
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -203.827553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.827553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.827553 (E_RNA)
where:
Base-Base interactions energy: -141.724
where: short stacking energy: -58.374
Base-Backbone interact. energy: -0.000
local terms energy: -62.103211
where:
bonds (distance) C4'-P energy: -9.764
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -7.176
tors. eta vs tors. theta energy: -16.833
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -201.537714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.537714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.554776 (E_RNA)
where:
Base-Base interactions energy: -142.852
where: short stacking energy: -58.934
Base-Backbone interact. energy: -0.003
local terms energy: -58.699729
where:
bonds (distance) C4'-P energy: -7.510
bonds (distance) P-C4' energy: -10.235
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -17.970
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: 9, replica: 3
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -189.581186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.581186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.729743 (E_RNA)
where:
Base-Base interactions energy: -132.212
where: short stacking energy: -46.459
Base-Backbone interact. energy: -0.099
local terms energy: -57.418815
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -6.133
tors. eta vs tors. theta energy: -11.230
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: 4
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -172.525276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.525276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.360929 (E_RNA)
where:
Base-Base interactions energy: -132.253
where: short stacking energy: -54.774
Base-Backbone interact. energy: -0.000
local terms energy: -47.107410
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -7.591
flat angles P-C4'-P energy: 2.910
tors. eta vs tors. theta energy: -15.654
Dist. restrs. and SS energy: 6.836 (S_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: 356
Temperature: 0.900000
Total energy: -237.102950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.102950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.102950 (E_RNA)
where:
Base-Base interactions energy: -174.956
where: short stacking energy: -69.371
Base-Backbone interact. energy: -0.109
local terms energy: -62.037893
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -9.994
flat angles C4'-P-C4' energy: -12.373
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -18.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -220.885281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.885281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.888913 (E_RNA)
where:
Base-Base interactions energy: -153.625
where: short stacking energy: -62.511
Base-Backbone interact. energy: -0.001
local terms energy: -67.262571
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -7.359
tors. eta vs tors. theta energy: -17.323
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: 5
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -231.454185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.454185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.454185 (E_RNA)
where:
Base-Base interactions energy: -166.774
where: short stacking energy: -67.286
Base-Backbone interact. energy: -0.011
local terms energy: -64.669201
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -13.310
flat angles P-C4'-P energy: -4.916
tors. eta vs tors. theta energy: -18.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -208.848974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.848974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.869038 (E_RNA)
where:
Base-Base interactions energy: -150.097
where: short stacking energy: -65.598
Base-Backbone interact. energy: -0.007
local terms energy: -58.764956
where:
bonds (distance) C4'-P energy: -9.920
bonds (distance) P-C4' energy: -11.413
flat angles C4'-P-C4' energy: -10.345
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -18.388
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: 356
Temperature: 1.100000
Total energy: -209.580233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.580233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.580233 (E_RNA)
where:
Base-Base interactions energy: -148.350
where: short stacking energy: -57.271
Base-Backbone interact. energy: -0.057
local terms energy: -61.173635
where:
bonds (distance) C4'-P energy: -12.280
bonds (distance) P-C4' energy: -12.896
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -11.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -209.278448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.278448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.291364 (E_RNA)
where:
Base-Base interactions energy: -154.533
where: short stacking energy: -62.405
Base-Backbone interact. energy: -0.003
local terms energy: -54.755952
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -12.263
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -3.346
tors. eta vs tors. theta energy: -13.331
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: 9
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -198.229125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.229125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.347808 (E_RNA)
where:
Base-Base interactions energy: -140.728
where: short stacking energy: -56.215
Base-Backbone interact. energy: -0.092
local terms energy: -57.527489
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -10.852
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -10.978
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: 10
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -197.594930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.594930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.650623 (E_RNA)
where:
Base-Base interactions energy: -138.052
where: short stacking energy: -58.468
Base-Backbone interact. energy: -0.060
local terms energy: -59.538883
where:
bonds (distance) C4'-P energy: -11.769
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -9.703
tors. eta vs tors. theta energy: -11.833
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: 3
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -195.529150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.529150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.544955 (E_RNA)
where:
Base-Base interactions energy: -141.388
where: short stacking energy: -59.617
Base-Backbone interact. energy: 0.746
local terms energy: -54.902505
where:
bonds (distance) C4'-P energy: -10.177
bonds (distance) P-C4' energy: -11.203
flat angles C4'-P-C4' energy: -10.814
flat angles P-C4'-P energy: -7.738
tors. eta vs tors. theta energy: -14.970
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: 4
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -173.268910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.268910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.717094 (E_RNA)
where:
Base-Base interactions energy: -127.921
where: short stacking energy: -51.240
Base-Backbone interact. energy: -0.522
local terms energy: -53.274761
where:
bonds (distance) C4'-P energy: -7.372
bonds (distance) P-C4' energy: -10.539
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -13.245
Dist. restrs. and SS energy: 8.448 (S_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: 357
Temperature: 0.900000
Total energy: -233.338195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.338195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.409581 (E_RNA)
where:
Base-Base interactions energy: -164.309
where: short stacking energy: -65.499
Base-Backbone interact. energy: -0.004
local terms energy: -69.096923
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -18.013
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: 2, replica: 5
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -225.917884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.917884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.948474 (E_RNA)
where:
Base-Base interactions energy: -169.187
where: short stacking energy: -61.821
Base-Backbone interact. energy: -0.002
local terms energy: -56.759391
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -11.362
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: 0.078
tors. eta vs tors. theta energy: -17.300
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: 1
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -213.228655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.228655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.377399 (E_RNA)
where:
Base-Base interactions energy: -147.274
where: short stacking energy: -61.934
Base-Backbone interact. energy: 0.924
local terms energy: -67.027685
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -14.613
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: 7
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -225.176848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.176848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.406152 (E_RNA)
where:
Base-Base interactions energy: -166.735
where: short stacking energy: -70.499
Base-Backbone interact. energy: -0.043
local terms energy: -58.628227
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -11.008
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -5.070
tors. eta vs tors. theta energy: -17.149
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: 5, replica: 8
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -209.790087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.790087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.918987 (E_RNA)
where:
Base-Base interactions energy: -153.293
where: short stacking energy: -61.413
Base-Backbone interact. energy: -0.181
local terms energy: -56.444855
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -7.214
tors. eta vs tors. theta energy: -10.305
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: 6, replica: 9
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -203.913082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.913082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.966837 (E_RNA)
where:
Base-Base interactions energy: -144.886
where: short stacking energy: -55.632
Base-Backbone interact. energy: -0.006
local terms energy: -59.074468
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -11.668
flat angles P-C4'-P energy: -11.778
tors. eta vs tors. theta energy: -10.804
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: 357
Temperature: 1.200000
Total energy: -206.937299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.937299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.149033 (E_RNA)
where:
Base-Base interactions energy: -139.781
where: short stacking energy: -58.602
Base-Backbone interact. energy: 0.334
local terms energy: -67.701934
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -16.014
flat angles P-C4'-P energy: -7.800
tors. eta vs tors. theta energy: -16.918
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: 3
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -197.871947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.871947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.881815 (E_RNA)
where:
Base-Base interactions energy: -137.950
where: short stacking energy: -52.874
Base-Backbone interact. energy: -0.125
local terms energy: -59.806753
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -12.539
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -12.657
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: 10
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -200.019558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.019558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.073660 (E_RNA)
where:
Base-Base interactions energy: -147.485
where: short stacking energy: -61.372
Base-Backbone interact. energy: -0.017
local terms energy: -52.570882
where:
bonds (distance) C4'-P energy: -10.650
bonds (distance) P-C4' energy: -9.068
flat angles C4'-P-C4' energy: -9.972
flat angles P-C4'-P energy: -8.027
tors. eta vs tors. theta energy: -14.853
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: 357
Temperature: 1.350000
Total energy: -181.056683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.056683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.039578 (E_RNA)
where:
Base-Base interactions energy: -130.870
where: short stacking energy: -56.408
Base-Backbone interact. energy: -0.034
local terms energy: -58.135580
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -7.237
tors. eta vs tors. theta energy: -16.915
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: 6
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -237.128583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.128583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.128583 (E_RNA)
where:
Base-Base interactions energy: -175.862
where: short stacking energy: -74.378
Base-Backbone interact. energy: -0.225
local terms energy: -61.042071
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -2.998
tors. eta vs tors. theta energy: -17.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -231.818893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.818893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.818893 (E_RNA)
where:
Base-Base interactions energy: -170.254
where: short stacking energy: -70.820
Base-Backbone interact. energy: -0.300
local terms energy: -61.264768
where:
bonds (distance) C4'-P energy: -12.847
bonds (distance) P-C4' energy: -11.738
flat angles C4'-P-C4' energy: -11.962
flat angles P-C4'-P energy: -6.143
tors. eta vs tors. theta energy: -18.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -216.108484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.108484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.246532 (E_RNA)
where:
Base-Base interactions energy: -166.055
where: short stacking energy: -64.894
Base-Backbone interact. energy: 0.463
local terms energy: -50.655230
where:
bonds (distance) C4'-P energy: -6.730
bonds (distance) P-C4' energy: -12.934
flat angles C4'-P-C4' energy: -9.378
flat angles P-C4'-P energy: -6.818
tors. eta vs tors. theta energy: -14.796
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: 1
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -216.885563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.885563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.966385 (E_RNA)
where:
Base-Base interactions energy: -156.325
where: short stacking energy: -61.739
Base-Backbone interact. energy: -0.001
local terms energy: -60.639633
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -10.415
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -6.312
tors. eta vs tors. theta energy: -15.680
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: 9
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -208.323122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.323122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.599582 (E_RNA)
where:
Base-Base interactions energy: -140.317
where: short stacking energy: -58.939
Base-Backbone interact. energy: -0.024
local terms energy: -68.258817
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -12.960
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -15.750
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: 6, replica: 8
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -200.208584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.208584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.226136 (E_RNA)
where:
Base-Base interactions energy: -140.292
where: short stacking energy: -54.623
Base-Backbone interact. energy: -0.150
local terms energy: -59.784189
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -10.081
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -13.890
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: 2
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -202.615372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.615372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.879432 (E_RNA)
where:
Base-Base interactions energy: -154.563
where: short stacking energy: -59.253
Base-Backbone interact. energy: -0.005
local terms energy: -48.311436
where:
bonds (distance) C4'-P energy: -11.067
bonds (distance) P-C4' energy: -3.363
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -6.941
tors. eta vs tors. theta energy: -12.864
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: 8, replica: 3
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -198.691133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.691133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.014885 (E_RNA)
where:
Base-Base interactions energy: -147.321
where: short stacking energy: -61.117
Base-Backbone interact. energy: -0.002
local terms energy: -51.692431
where:
bonds (distance) C4'-P energy: -10.495
bonds (distance) P-C4' energy: -7.924
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -6.596
tors. eta vs tors. theta energy: -13.852
Dist. restrs. and SS energy: 0.324 (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: 10
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -196.080473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.080473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.165502 (E_RNA)
where:
Base-Base interactions energy: -138.085
where: short stacking energy: -54.694
Base-Backbone interact. energy: -0.111
local terms energy: -57.969188
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -11.348
flat angles C4'-P-C4' energy: -8.935
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -15.048
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: 10, replica: 4
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -180.670360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.670360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.863324 (E_RNA)
where:
Base-Base interactions energy: -135.274
where: short stacking energy: -61.446
Base-Backbone interact. energy: -0.000
local terms energy: -53.589497
where:
bonds (distance) C4'-P energy: -6.131
bonds (distance) P-C4' energy: -11.116
flat angles C4'-P-C4' energy: -11.738
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -15.978
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: 1, replica: 6
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -234.806513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.806513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.871500 (E_RNA)
where:
Base-Base interactions energy: -172.157
where: short stacking energy: -68.850
Base-Backbone interact. energy: -0.004
local terms energy: -62.710962
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -5.080
tors. eta vs tors. theta energy: -15.965
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: 7
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -236.772741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.772741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.786135 (E_RNA)
where:
Base-Base interactions energy: -171.259
where: short stacking energy: -69.847
Base-Backbone interact. energy: -0.005
local terms energy: -65.521559
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -8.256
tors. eta vs tors. theta energy: -15.081
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: 5
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -224.012360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.012360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.043289 (E_RNA)
where:
Base-Base interactions energy: -161.511
where: short stacking energy: -64.710
Base-Backbone interact. energy: -0.240
local terms energy: -62.292244
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -3.393
tors. eta vs tors. theta energy: -17.252
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: 9
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -208.472134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.472134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.498569 (E_RNA)
where:
Base-Base interactions energy: -141.052
where: short stacking energy: -54.050
Base-Backbone interact. energy: -0.003
local terms energy: -67.444222
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -16.342
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: 1
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -212.955554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.955554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.081147 (E_RNA)
where:
Base-Base interactions energy: -146.573
where: short stacking energy: -60.829
Base-Backbone interact. energy: -0.002
local terms energy: -66.506469
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -10.546
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -14.977
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: 2
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -212.482970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.482970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.634663 (E_RNA)
where:
Base-Base interactions energy: -151.314
where: short stacking energy: -66.679
Base-Backbone interact. energy: -0.012
local terms energy: -61.308710
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -5.238
tors. eta vs tors. theta energy: -19.353
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: 8
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -197.841398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.841398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.947437 (E_RNA)
where:
Base-Base interactions energy: -141.590
where: short stacking energy: -56.847
Base-Backbone interact. energy: -0.001
local terms energy: -56.356091
where:
bonds (distance) C4'-P energy: -9.329
bonds (distance) P-C4' energy: -13.265
flat angles C4'-P-C4' energy: -11.549
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -14.050
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: 8, replica: 10
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -194.996491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.996491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.089517 (E_RNA)
where:
Base-Base interactions energy: -131.379
where: short stacking energy: -53.303
Base-Backbone interact. energy: -0.037
local terms energy: -63.673563
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -13.080
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: -13.739
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: 9, replica: 3
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -199.684761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.684761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.867902 (E_RNA)
where:
Base-Base interactions energy: -133.833
where: short stacking energy: -55.336
Base-Backbone interact. energy: -0.154
local terms energy: -65.881452
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -14.710
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: 10, replica: 4
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -176.853128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.853128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.397623 (E_RNA)
where:
Base-Base interactions energy: -125.497
where: short stacking energy: -47.726
Base-Backbone interact. energy: -0.363
local terms energy: -59.537606
where:
bonds (distance) C4'-P energy: -8.903
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -7.550
tors. eta vs tors. theta energy: -14.987
Dist. restrs. and SS energy: 8.544 (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: 7
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -241.260789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.260789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.260789 (E_RNA)
where:
Base-Base interactions energy: -171.765
where: short stacking energy: -67.229
Base-Backbone interact. energy: -0.002
local terms energy: -69.493473
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -8.029
tors. eta vs tors. theta energy: -17.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -219.840391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.840391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.934641 (E_RNA)
where:
Base-Base interactions energy: -161.712
where: short stacking energy: -61.227
Base-Backbone interact. energy: -0.001
local terms energy: -58.221467
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -1.781
tors. eta vs tors. theta energy: -14.587
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: 9
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -222.625983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.625983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.667696 (E_RNA)
where:
Base-Base interactions energy: -154.291
where: short stacking energy: -66.297
Base-Backbone interact. energy: -0.045
local terms energy: -68.332307
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -18.348
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: 5
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -204.125162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.125162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.149056 (E_RNA)
where:
Base-Base interactions energy: -143.466
where: short stacking energy: -54.985
Base-Backbone interact. energy: -0.254
local terms energy: -60.428919
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -12.029
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -11.581
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: 2
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -206.760133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.760133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.902060 (E_RNA)
where:
Base-Base interactions energy: -143.604
where: short stacking energy: -59.819
Base-Backbone interact. energy: -0.000
local terms energy: -63.298139
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -13.495
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -16.052
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: 1
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -209.604526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.604526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.604526 (E_RNA)
where:
Base-Base interactions energy: -151.209
where: short stacking energy: -57.990
Base-Backbone interact. energy: -0.003
local terms energy: -58.392564
where:
bonds (distance) C4'-P energy: -7.772
bonds (distance) P-C4' energy: -10.085
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -15.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -198.667091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.667091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.697733 (E_RNA)
where:
Base-Base interactions energy: -139.224
where: short stacking energy: -54.036
Base-Backbone interact. energy: -0.071
local terms energy: -59.402953
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -12.223
flat angles C4'-P-C4' energy: -12.296
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -12.244
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: 8
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -195.129346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.129346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.279833 (E_RNA)
where:
Base-Base interactions energy: -138.446
where: short stacking energy: -55.627
Base-Backbone interact. energy: 0.115
local terms energy: -56.949152
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -9.984
flat angles C4'-P-C4' energy: -12.275
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: -13.930
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: 360
Temperature: 1.300000
Total energy: -171.680282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.680282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.246403 (E_RNA)
where:
Base-Base interactions energy: -121.488
where: short stacking energy: -51.820
Base-Backbone interact. energy: -0.008
local terms energy: -57.750663
where:
bonds (distance) C4'-P energy: -5.601
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -7.778
tors. eta vs tors. theta energy: -14.877
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: 10, replica: 3
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -196.884656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.884656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.993862 (E_RNA)
where:
Base-Base interactions energy: -133.187
where: short stacking energy: -52.699
Base-Backbone interact. energy: -0.051
local terms energy: -63.755712
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: -12.910
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: 1, replica: 7
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -237.356398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.356398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.385174 (E_RNA)
where:
Base-Base interactions energy: -170.621
where: short stacking energy: -67.295
Base-Backbone interact. energy: -0.422
local terms energy: -66.341765
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -7.424
tors. eta vs tors. theta energy: -15.777
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: 9
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -213.908932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.908932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.908932 (E_RNA)
where:
Base-Base interactions energy: -153.470
where: short stacking energy: -64.232
Base-Backbone interact. energy: -0.002
local terms energy: -60.437082
where:
bonds (distance) C4'-P energy: -10.592
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -9.503
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: 6
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -215.684014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.684014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.700111 (E_RNA)
where:
Base-Base interactions energy: -153.656
where: short stacking energy: -60.496
Base-Backbone interact. energy: -0.045
local terms energy: -61.999325
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -6.900
tors. eta vs tors. theta energy: -13.131
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: 2
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -215.035178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.035178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.049823 (E_RNA)
where:
Base-Base interactions energy: -149.319
where: short stacking energy: -62.341
Base-Backbone interact. energy: -0.001
local terms energy: -65.729326
where:
bonds (distance) C4'-P energy: -8.451
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -12.721
tors. eta vs tors. theta energy: -16.552
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: 5
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -216.893143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.893143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.893143 (E_RNA)
where:
Base-Base interactions energy: -152.681
where: short stacking energy: -61.397
Base-Backbone interact. energy: -0.001
local terms energy: -64.210605
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -12.517
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -17.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -196.787016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.787016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.876500 (E_RNA)
where:
Base-Base interactions energy: -136.269
where: short stacking energy: -53.440
Base-Backbone interact. energy: -0.031
local terms energy: -60.576453
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -12.355
flat angles P-C4'-P energy: -8.406
tors. eta vs tors. theta energy: -12.949
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: 361
Temperature: 1.200000
Total energy: -195.388663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.388663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.448417 (E_RNA)
where:
Base-Base interactions energy: -138.073
where: short stacking energy: -57.668
Base-Backbone interact. energy: -0.102
local terms energy: -57.273248
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -10.957
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -11.310
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: 8
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -202.778782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.778782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.891870 (E_RNA)
where:
Base-Base interactions energy: -143.698
where: short stacking energy: -57.337
Base-Backbone interact. energy: -0.196
local terms energy: -58.997845
where:
bonds (distance) C4'-P energy: -10.795
bonds (distance) P-C4' energy: -10.005
flat angles C4'-P-C4' energy: -10.037
flat angles P-C4'-P energy: -13.195
tors. eta vs tors. theta energy: -14.966
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: 4
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -181.700123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.700123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.224833 (E_RNA)
where:
Base-Base interactions energy: -131.029
where: short stacking energy: -55.311
Base-Backbone interact. energy: -1.868
local terms energy: -56.328489
where:
bonds (distance) C4'-P energy: -11.242
bonds (distance) P-C4' energy: -13.090
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -1.593
tors. eta vs tors. theta energy: -15.494
Dist. restrs. and SS energy: 7.525 (S_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: 361
Temperature: 1.350000
Total energy: -194.883356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.883356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.040594 (E_RNA)
where:
Base-Base interactions energy: -144.107
where: short stacking energy: -56.034
Base-Backbone interact. energy: -0.084
local terms energy: -50.849384
where:
bonds (distance) C4'-P energy: -6.887
bonds (distance) P-C4' energy: -10.156
flat angles C4'-P-C4' energy: -11.190
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -14.160
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: 1, replica: 7
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -239.030779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.030779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.068432 (E_RNA)
where:
Base-Base interactions energy: -170.437
where: short stacking energy: -67.506
Base-Backbone interact. energy: -0.013
local terms energy: -68.618278
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -6.727
tors. eta vs tors. theta energy: -18.098
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: 9
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -214.293771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.293771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.303042 (E_RNA)
where:
Base-Base interactions energy: -148.564
where: short stacking energy: -60.797
Base-Backbone interact. energy: -0.002
local terms energy: -65.737343
where:
bonds (distance) C4'-P energy: -10.541
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -14.023
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: 362
Temperature: 1.000000
Total energy: -211.844473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.844473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.991184 (E_RNA)
where:
Base-Base interactions energy: -144.741
where: short stacking energy: -58.067
Base-Backbone interact. energy: -0.611
local terms energy: -66.639554
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -14.439
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: 4, replica: 6
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -215.792071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.792071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.826078 (E_RNA)
where:
Base-Base interactions energy: -154.236
where: short stacking energy: -66.305
Base-Backbone interact. energy: -0.002
local terms energy: -61.588552
where:
bonds (distance) C4'-P energy: -9.283
bonds (distance) P-C4' energy: -13.847
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -15.295
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: 5
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -205.634024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.634024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.683049 (E_RNA)
where:
Base-Base interactions energy: -150.997
where: short stacking energy: -63.072
Base-Backbone interact. energy: -0.007
local terms energy: -54.679844
where:
bonds (distance) C4'-P energy: -8.369
bonds (distance) P-C4' energy: -8.339
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: -16.431
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: 6, replica: 1
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -185.287400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.287400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.404656 (E_RNA)
where:
Base-Base interactions energy: -126.023
where: short stacking energy: -54.718
Base-Backbone interact. energy: -0.070
local terms energy: -59.311892
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -13.094
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -11.832
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: 10
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -207.823460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.823460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.883043 (E_RNA)
where:
Base-Base interactions energy: -145.606
where: short stacking energy: -52.992
Base-Backbone interact. energy: 0.328
local terms energy: -62.605100
where:
bonds (distance) C4'-P energy: -12.038
bonds (distance) P-C4' energy: -11.291
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -14.454
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: 8
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -204.247342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.247342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.270802 (E_RNA)
where:
Base-Base interactions energy: -141.903
where: short stacking energy: -53.734
Base-Backbone interact. energy: -0.187
local terms energy: -62.181495
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -12.000
flat angles P-C4'-P energy: -7.503
tors. eta vs tors. theta energy: -15.918
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: 3
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -190.269552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.269552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.521628 (E_RNA)
where:
Base-Base interactions energy: -139.625
where: short stacking energy: -59.358
Base-Backbone interact. energy: -0.001
local terms energy: -50.895329
where:
bonds (distance) C4'-P energy: -10.111
bonds (distance) P-C4' energy: -10.278
flat angles C4'-P-C4' energy: -11.080
flat angles P-C4'-P energy: -6.648
tors. eta vs tors. theta energy: -12.778
Dist. restrs. and SS energy: 0.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -180.186630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.186630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.293649 (E_RNA)
where:
Base-Base interactions energy: -127.042
where: short stacking energy: -57.161
Base-Backbone interact. energy: -1.340
local terms energy: -59.911024
where:
bonds (distance) C4'-P energy: -10.719
bonds (distance) P-C4' energy: -11.412
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -6.332
tors. eta vs tors. theta energy: -16.622
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: 1, replica: 7
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -236.325919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.325919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.433608 (E_RNA)
where:
Base-Base interactions energy: -173.384
where: short stacking energy: -68.775
Base-Backbone interact. energy: -0.009
local terms energy: -63.040097
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -12.636
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -5.307
tors. eta vs tors. theta energy: -18.017
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: 363
Temperature: 0.950000
Total energy: -218.240937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.240937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.306522 (E_RNA)
where:
Base-Base interactions energy: -152.243
where: short stacking energy: -62.868
Base-Backbone interact. energy: 0.925
local terms energy: -66.988121
where:
bonds (distance) C4'-P energy: -10.771
bonds (distance) P-C4' energy: -12.674
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: -17.184
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: 363
Temperature: 1.000000
Total energy: -211.118157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.118157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.131962 (E_RNA)
where:
Base-Base interactions energy: -144.848
where: short stacking energy: -54.733
Base-Backbone interact. energy: -0.002
local terms energy: -66.282375
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -8.254
tors. eta vs tors. theta energy: -16.309
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: 5
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -211.613062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.613062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.658919 (E_RNA)
where:
Base-Base interactions energy: -147.225
where: short stacking energy: -59.542
Base-Backbone interact. energy: -0.730
local terms energy: -63.703500
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -10.583
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -17.934
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: 5, replica: 6
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -211.740594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.740594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.797306 (E_RNA)
where:
Base-Base interactions energy: -144.310
where: short stacking energy: -61.763
Base-Backbone interact. energy: -0.048
local terms energy: -67.438833
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -15.668
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: 363
Temperature: 1.150000
Total energy: -191.173963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.173963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.409079 (E_RNA)
where:
Base-Base interactions energy: -129.745
where: short stacking energy: -54.191
Base-Backbone interact. energy: -0.003
local terms energy: -61.661288
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -10.730
flat angles P-C4'-P energy: -6.396
tors. eta vs tors. theta energy: -16.895
Dist. restrs. and SS energy: 0.235 (S_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: 363
Temperature: 1.200000
Total energy: -196.368603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.368603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.372813 (E_RNA)
where:
Base-Base interactions energy: -140.088
where: short stacking energy: -54.102
Base-Backbone interact. energy: -0.039
local terms energy: -56.245772
where:
bonds (distance) C4'-P energy: -9.387
bonds (distance) P-C4' energy: -10.856
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: -15.587
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: 8, replica: 8
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -202.159046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.159046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.203992 (E_RNA)
where:
Base-Base interactions energy: -146.828
where: short stacking energy: -61.917
Base-Backbone interact. energy: -0.015
local terms energy: -55.360627
where:
bonds (distance) C4'-P energy: -11.303
bonds (distance) P-C4' energy: -5.232
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -15.790
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: 3
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -192.555472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.555472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.563086 (E_RNA)
where:
Base-Base interactions energy: -135.466
where: short stacking energy: -51.210
Base-Backbone interact. energy: -0.130
local terms energy: -56.967038
where:
bonds (distance) C4'-P energy: -11.918
bonds (distance) P-C4' energy: -8.724
flat angles C4'-P-C4' energy: -12.112
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -15.055
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: 363
Temperature: 1.350000
Total energy: -172.964198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.964198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.453913 (E_RNA)
where:
Base-Base interactions energy: -130.543
where: short stacking energy: -56.866
Base-Backbone interact. energy: -0.002
local terms energy: -50.909563
where:
bonds (distance) C4'-P energy: -11.106
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -10.584
flat angles P-C4'-P energy: -4.071
tors. eta vs tors. theta energy: -14.064
Dist. restrs. and SS energy: 8.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -235.092367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.092367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.226427 (E_RNA)
where:
Base-Base interactions energy: -170.982
where: short stacking energy: -68.440
Base-Backbone interact. energy: -0.068
local terms energy: -64.177010
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -6.132
tors. eta vs tors. theta energy: -17.879
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: 364
Temperature: 0.950000
Total energy: -211.169401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.169401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.313125 (E_RNA)
where:
Base-Base interactions energy: -146.742
where: short stacking energy: -63.569
Base-Backbone interact. energy: -0.117
local terms energy: -64.453928
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -13.109
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -7.282
tors. eta vs tors. theta energy: -17.221
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: 5
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -218.259946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.259946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.334422 (E_RNA)
where:
Base-Base interactions energy: -150.372
where: short stacking energy: -65.029
Base-Backbone interact. energy: -0.158
local terms energy: -67.803902
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -16.403
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: 9
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -211.291446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.291446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.342160 (E_RNA)
where:
Base-Base interactions energy: -146.479
where: short stacking energy: -58.821
Base-Backbone interact. energy: -0.266
local terms energy: -64.596892
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -13.880
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: 364
Temperature: 1.100000
Total energy: -203.477340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.477340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.612209 (E_RNA)
where:
Base-Base interactions energy: -145.649
where: short stacking energy: -59.625
Base-Backbone interact. energy: -0.266
local terms energy: -57.696650
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -10.145
flat angles C4'-P-C4' energy: -11.009
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -13.894
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: 6
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -204.189608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.189608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.197618 (E_RNA)
where:
Base-Base interactions energy: -136.976
where: short stacking energy: -56.398
Base-Backbone interact. energy: -0.100
local terms energy: -67.121437
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -12.379
flat angles C4'-P-C4' energy: -14.888
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -15.815
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: 10
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -204.161441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.161441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.256868 (E_RNA)
where:
Base-Base interactions energy: -146.080
where: short stacking energy: -57.004
Base-Backbone interact. energy: -0.000
local terms energy: -58.177137
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -5.797
tors. eta vs tors. theta energy: -13.192
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: 8, replica: 8
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -202.085859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.085859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.085859 (E_RNA)
where:
Base-Base interactions energy: -149.472
where: short stacking energy: -49.591
Base-Backbone interact. energy: 0.868
local terms energy: -53.482293
where:
bonds (distance) C4'-P energy: -12.009
bonds (distance) P-C4' energy: -11.521
flat angles C4'-P-C4' energy: -9.091
flat angles P-C4'-P energy: -3.569
tors. eta vs tors. theta energy: -17.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -174.564851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.564851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.072408 (E_RNA)
where:
Base-Base interactions energy: -125.075
where: short stacking energy: -53.091
Base-Backbone interact. energy: -0.001
local terms energy: -56.996456
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -9.761
flat angles C4'-P-C4' energy: -9.730
flat angles P-C4'-P energy: -7.571
tors. eta vs tors. theta energy: -15.262
Dist. restrs. and SS energy: 7.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -193.148234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.148234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.159194 (E_RNA)
where:
Base-Base interactions energy: -138.408
where: short stacking energy: -54.773
Base-Backbone interact. energy: -0.083
local terms energy: -54.667678
where:
bonds (distance) C4'-P energy: -10.844
bonds (distance) P-C4' energy: -11.756
flat angles C4'-P-C4' energy: -9.385
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -12.768
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: 1, replica: 7
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -234.000047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.000047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.004691 (E_RNA)
where:
Base-Base interactions energy: -174.106
where: short stacking energy: -72.592
Base-Backbone interact. energy: -0.009
local terms energy: -59.889309
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -5.170
tors. eta vs tors. theta energy: -16.083
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: 2
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -219.530445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.530445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.687724 (E_RNA)
where:
Base-Base interactions energy: -149.156
where: short stacking energy: -61.723
Base-Backbone interact. energy: -0.594
local terms energy: -69.938611
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -15.565
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -18.585
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: 5
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -214.983955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.983955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.049127 (E_RNA)
where:
Base-Base interactions energy: -158.882
where: short stacking energy: -63.125
Base-Backbone interact. energy: -0.004
local terms energy: -56.163680
where:
bonds (distance) C4'-P energy: -7.465
bonds (distance) P-C4' energy: -10.965
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -15.848
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: 365
Temperature: 1.050000
Total energy: -208.658084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.658084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.684320 (E_RNA)
where:
Base-Base interactions energy: -143.114
where: short stacking energy: -57.849
Base-Backbone interact. energy: -0.067
local terms energy: -65.503087
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: -15.330
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: 365
Temperature: 1.100000
Total energy: -206.623671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.623671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.701473 (E_RNA)
where:
Base-Base interactions energy: -150.445
where: short stacking energy: -62.550
Base-Backbone interact. energy: -0.009
local terms energy: -56.247766
where:
bonds (distance) C4'-P energy: -8.323
bonds (distance) P-C4' energy: -8.387
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -15.989
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: 10
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -206.793882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.793882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.929172 (E_RNA)
where:
Base-Base interactions energy: -137.827
where: short stacking energy: -56.985
Base-Backbone interact. energy: -0.000
local terms energy: -69.102097
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -17.708
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: 7, replica: 6
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -207.041843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.041843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.044662 (E_RNA)
where:
Base-Base interactions energy: -142.733
where: short stacking energy: -57.703
Base-Backbone interact. energy: -0.045
local terms energy: -64.267010
where:
bonds (distance) C4'-P energy: -10.781
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -14.327
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: 365
Temperature: 1.250000
Total energy: -177.868780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.868780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.423276 (E_RNA)
where:
Base-Base interactions energy: -132.875
where: short stacking energy: -56.486
Base-Backbone interact. energy: -0.009
local terms energy: -53.539137
where:
bonds (distance) C4'-P energy: -9.619
bonds (distance) P-C4' energy: -12.081
flat angles C4'-P-C4' energy: -12.880
flat angles P-C4'-P energy: -6.070
tors. eta vs tors. theta energy: -12.888
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: 9, replica: 8
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -198.745740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.745740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.848093 (E_RNA)
where:
Base-Base interactions energy: -138.977
where: short stacking energy: -54.002
Base-Backbone interact. energy: -0.289
local terms energy: -59.581975
where:
bonds (distance) C4'-P energy: -10.737
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -9.061
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -16.240
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: 10, replica: 3
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -193.115385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.115385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.269899 (E_RNA)
where:
Base-Base interactions energy: -136.223
where: short stacking energy: -55.823
Base-Backbone interact. energy: 0.077
local terms energy: -57.124231
where:
bonds (distance) C4'-P energy: -10.512
bonds (distance) P-C4' energy: -10.075
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -14.084
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: 1, replica: 7
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -236.449892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.449892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.450830 (E_RNA)
where:
Base-Base interactions energy: -174.211
where: short stacking energy: -66.048
Base-Backbone interact. energy: -0.000
local terms energy: -62.239515
where:
bonds (distance) C4'-P energy: -11.651
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -1.465
tors. eta vs tors. theta energy: -18.397
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: 366
Temperature: 0.950000
Total energy: -215.796351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.796351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.942641 (E_RNA)
where:
Base-Base interactions energy: -147.456
where: short stacking energy: -62.230
Base-Backbone interact. energy: -0.000
local terms energy: -68.486140
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -16.810
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: 3, replica: 5
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -209.961820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.961820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.158510 (E_RNA)
where:
Base-Base interactions energy: -147.911
where: short stacking energy: -59.549
Base-Backbone interact. energy: -0.019
local terms energy: -62.229186
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -11.170
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -7.826
tors. eta vs tors. theta energy: -15.875
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: 1
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -215.089130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.089130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.195244 (E_RNA)
where:
Base-Base interactions energy: -150.245
where: short stacking energy: -62.936
Base-Backbone interact. energy: 0.096
local terms energy: -65.045848
where:
bonds (distance) C4'-P energy: -11.204
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -13.299
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -17.093
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: 5, replica: 10
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -215.434538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.434538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.530817 (E_RNA)
where:
Base-Base interactions energy: -157.241
where: short stacking energy: -63.870
Base-Backbone interact. energy: -0.013
local terms energy: -58.276458
where:
bonds (distance) C4'-P energy: -10.260
bonds (distance) P-C4' energy: -13.769
flat angles C4'-P-C4' energy: -10.185
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: -16.056
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: 6, replica: 9
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -202.409499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.409499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.475522 (E_RNA)
where:
Base-Base interactions energy: -144.721
where: short stacking energy: -59.467
Base-Backbone interact. energy: -0.024
local terms energy: -57.730746
where:
bonds (distance) C4'-P energy: -8.477
bonds (distance) P-C4' energy: -13.146
flat angles C4'-P-C4' energy: -11.691
flat angles P-C4'-P energy: -7.137
tors. eta vs tors. theta energy: -17.280
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: 6
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -193.700194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.700194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.890144 (E_RNA)
where:
Base-Base interactions energy: -133.246
where: short stacking energy: -52.871
Base-Backbone interact. energy: -0.001
local terms energy: -60.643436
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -13.406
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -10.895
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: 4
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -180.325505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.325505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.332357 (E_RNA)
where:
Base-Base interactions energy: -128.928
where: short stacking energy: -55.354
Base-Backbone interact. energy: -0.891
local terms energy: -58.514115
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -10.352
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -14.073
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: 9, replica: 3
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -192.547412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.547412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.592750 (E_RNA)
where:
Base-Base interactions energy: -140.655
where: short stacking energy: -48.738
Base-Backbone interact. energy: -0.604
local terms energy: -51.333764
where:
bonds (distance) C4'-P energy: -10.708
bonds (distance) P-C4' energy: -9.808
flat angles C4'-P-C4' energy: -7.835
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -12.975
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: 10, replica: 8
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -191.693411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.693411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.695295 (E_RNA)
where:
Base-Base interactions energy: -136.399
where: short stacking energy: -54.931
Base-Backbone interact. energy: -0.732
local terms energy: -54.563661
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -11.013
flat angles P-C4'-P energy: -5.542
tors. eta vs tors. theta energy: -11.661
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: 1, replica: 7
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -233.267936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.267936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.312082 (E_RNA)
where:
Base-Base interactions energy: -171.395
where: short stacking energy: -69.009
Base-Backbone interact. energy: -0.004
local terms energy: -61.912688
where:
bonds (distance) C4'-P energy: -9.603
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -12.158
flat angles P-C4'-P energy: -5.778
tors. eta vs tors. theta energy: -18.386
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: 5
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -215.264106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.264106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.266293 (E_RNA)
where:
Base-Base interactions energy: -154.324
where: short stacking energy: -57.018
Base-Backbone interact. energy: -0.099
local terms energy: -60.843172
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -9.703
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -7.959
tors. eta vs tors. theta energy: -16.564
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: 2
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -213.485571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.485571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.722240 (E_RNA)
where:
Base-Base interactions energy: -152.425
where: short stacking energy: -64.387
Base-Backbone interact. energy: -0.001
local terms energy: -61.296120
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -10.449
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -16.792
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: 4, replica: 1
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -219.030765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.030765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.078717 (E_RNA)
where:
Base-Base interactions energy: -158.343
where: short stacking energy: -61.174
Base-Backbone interact. energy: -0.004
local terms energy: -60.731575
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -7.145
tors. eta vs tors. theta energy: -12.907
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: 367
Temperature: 1.100000
Total energy: -208.813246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.813246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.955822 (E_RNA)
where:
Base-Base interactions energy: -152.011
where: short stacking energy: -58.436
Base-Backbone interact. energy: -0.626
local terms energy: -56.319027
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -10.224
flat angles P-C4'-P energy: -4.690
tors. eta vs tors. theta energy: -14.100
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: 367
Temperature: 1.150000
Total energy: -204.131831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.131831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.165169 (E_RNA)
where:
Base-Base interactions energy: -142.806
where: short stacking energy: -58.722
Base-Backbone interact. energy: -0.007
local terms energy: -61.352274
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -7.811
tors. eta vs tors. theta energy: -14.832
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: 7, replica: 9
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -204.836452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.836452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.853381 (E_RNA)
where:
Base-Base interactions energy: -148.310
where: short stacking energy: -63.149
Base-Backbone interact. energy: -0.036
local terms energy: -56.507780
where:
bonds (distance) C4'-P energy: -11.002
bonds (distance) P-C4' energy: -6.230
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -5.571
tors. eta vs tors. theta energy: -17.261
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: 3
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -196.161747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.161747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.170047 (E_RNA)
where:
Base-Base interactions energy: -138.520
where: short stacking energy: -54.373
Base-Backbone interact. energy: -0.612
local terms energy: -57.038330
where:
bonds (distance) C4'-P energy: -13.675
bonds (distance) P-C4' energy: -11.820
flat angles C4'-P-C4' energy: -12.429
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: -10.804
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: 9, replica: 4
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -185.378380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.378380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.546975 (E_RNA)
where:
Base-Base interactions energy: -128.395
where: short stacking energy: -58.554
Base-Backbone interact. energy: -0.080
local terms energy: -65.071480
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -6.996
tors. eta vs tors. theta energy: -19.726
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: 10, replica: 8
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -214.119049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.119049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.250578 (E_RNA)
where:
Base-Base interactions energy: -156.194
where: short stacking energy: -56.265
Base-Backbone interact. energy: -0.133
local terms energy: -57.923272
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -10.571
flat angles P-C4'-P energy: -6.059
tors. eta vs tors. theta energy: -14.289
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: 1, replica: 7
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -231.333175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.333175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.487146 (E_RNA)
where:
Base-Base interactions energy: -169.424
where: short stacking energy: -65.434
Base-Backbone interact. energy: -0.023
local terms energy: -62.040622
where:
bonds (distance) C4'-P energy: -11.485
bonds (distance) P-C4' energy: -13.017
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -6.195
tors. eta vs tors. theta energy: -16.288
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: 2, replica: 5
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -224.232565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.232565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.232565 (E_RNA)
where:
Base-Base interactions energy: -164.295
where: short stacking energy: -68.542
Base-Backbone interact. energy: -0.000
local terms energy: -59.937678
where:
bonds (distance) C4'-P energy: -9.201
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -7.321
tors. eta vs tors. theta energy: -16.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -228.018301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.018301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.077722 (E_RNA)
where:
Base-Base interactions energy: -166.515
where: short stacking energy: -67.236
Base-Backbone interact. energy: -0.023
local terms energy: -61.539785
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -10.979
flat angles P-C4'-P energy: -6.790
tors. eta vs tors. theta energy: -17.485
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: 2
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -221.814201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.814201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.861017 (E_RNA)
where:
Base-Base interactions energy: -161.360
where: short stacking energy: -63.382
Base-Backbone interact. energy: -0.034
local terms energy: -60.466220
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -12.183
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -5.736
tors. eta vs tors. theta energy: -16.079
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: 10
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -209.210376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.210376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.289912 (E_RNA)
where:
Base-Base interactions energy: -157.840
where: short stacking energy: -60.590
Base-Backbone interact. energy: -0.337
local terms energy: -51.112838
where:
bonds (distance) C4'-P energy: -12.955
bonds (distance) P-C4' energy: -9.398
flat angles C4'-P-C4' energy: -10.506
flat angles P-C4'-P energy: -5.406
tors. eta vs tors. theta energy: -12.848
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: 6, replica: 6
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -210.640812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.640812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.650106 (E_RNA)
where:
Base-Base interactions energy: -143.870
where: short stacking energy: -60.105
Base-Backbone interact. energy: -0.222
local terms energy: -66.558137
where:
bonds (distance) C4'-P energy: -10.203
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -19.843
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: 3
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -195.274271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.274271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.292448 (E_RNA)
where:
Base-Base interactions energy: -139.211
where: short stacking energy: -54.299
Base-Backbone interact. energy: -0.271
local terms energy: -55.811304
where:
bonds (distance) C4'-P energy: -11.459
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -12.772
flat angles P-C4'-P energy: -5.781
tors. eta vs tors. theta energy: -13.066
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: 9
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -194.315200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.315200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.451237 (E_RNA)
where:
Base-Base interactions energy: -136.703
where: short stacking energy: -52.622
Base-Backbone interact. energy: 0.697
local terms energy: -58.445339
where:
bonds (distance) C4'-P energy: -11.421
bonds (distance) P-C4' energy: -10.816
flat angles C4'-P-C4' energy: -11.435
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -14.644
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: 8
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -202.112774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.112774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.126626 (E_RNA)
where:
Base-Base interactions energy: -138.307
where: short stacking energy: -57.009
Base-Backbone interact. energy: -0.045
local terms energy: -63.774787
where:
bonds (distance) C4'-P energy: -8.860
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -17.156
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: 368
Temperature: 1.350000
Total energy: -168.052416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.052416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.272570 (E_RNA)
where:
Base-Base interactions energy: -118.507
where: short stacking energy: -49.693
Base-Backbone interact. energy: -0.105
local terms energy: -55.660732
where:
bonds (distance) C4'-P energy: -10.505
bonds (distance) P-C4' energy: -11.827
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -11.126
Dist. restrs. and SS energy: 6.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -238.478670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.478670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.478670 (E_RNA)
where:
Base-Base interactions energy: -176.531
where: short stacking energy: -69.123
Base-Backbone interact. energy: -0.274
local terms energy: -61.673473
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -13.265
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -4.165
tors. eta vs tors. theta energy: -19.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -229.215968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.215968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.245295 (E_RNA)
where:
Base-Base interactions energy: -162.581
where: short stacking energy: -64.309
Base-Backbone interact. energy: -0.408
local terms energy: -66.255986
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -13.644
flat angles P-C4'-P energy: -7.265
tors. eta vs tors. theta energy: -19.118
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: 5
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -218.531685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.531685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.633801 (E_RNA)
where:
Base-Base interactions energy: -156.895
where: short stacking energy: -64.839
Base-Backbone interact. energy: -0.413
local terms energy: -61.326033
where:
bonds (distance) C4'-P energy: -12.723
bonds (distance) P-C4' energy: -9.773
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -8.752
tors. eta vs tors. theta energy: -16.328
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: 10
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -210.384974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.384974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.654143 (E_RNA)
where:
Base-Base interactions energy: -152.841
where: short stacking energy: -62.883
Base-Backbone interact. energy: -0.013
local terms energy: -57.800086
where:
bonds (distance) C4'-P energy: -9.445
bonds (distance) P-C4' energy: -12.076
flat angles C4'-P-C4' energy: -9.176
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -17.505
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: 5, replica: 2
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -218.724970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.724970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.731226 (E_RNA)
where:
Base-Base interactions energy: -166.747
where: short stacking energy: -64.549
Base-Backbone interact. energy: -0.024
local terms energy: -51.960152
where:
bonds (distance) C4'-P energy: -9.028
bonds (distance) P-C4' energy: -9.611
flat angles C4'-P-C4' energy: -11.299
flat angles P-C4'-P energy: -5.327
tors. eta vs tors. theta energy: -16.695
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: 3
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -205.416053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.416053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.465824 (E_RNA)
where:
Base-Base interactions energy: -141.860
where: short stacking energy: -57.636
Base-Backbone interact. energy: -0.001
local terms energy: -63.605589
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -11.470
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -16.584
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: 6
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -201.620828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.620828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.862506 (E_RNA)
where:
Base-Base interactions energy: -144.593
where: short stacking energy: -61.386
Base-Backbone interact. energy: -0.070
local terms energy: -57.199727
where:
bonds (distance) C4'-P energy: -9.842
bonds (distance) P-C4' energy: -11.947
flat angles C4'-P-C4' energy: -11.056
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -13.796
Dist. restrs. and SS energy: 0.242 (S_DIST_RNA)
chem. 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: -198.378892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.378892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.378892 (E_RNA)
where:
Base-Base interactions energy: -144.459
where: short stacking energy: -56.610
Base-Backbone interact. energy: -0.102
local terms energy: -53.817725
where:
bonds (distance) C4'-P energy: -6.045
bonds (distance) P-C4' energy: -11.831
flat angles C4'-P-C4' energy: -11.296
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -13.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -192.109020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.109020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.623070 (E_RNA)
where:
Base-Base interactions energy: -144.126
where: short stacking energy: -57.123
Base-Backbone interact. energy: -0.064
local terms energy: -48.432126
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -10.634
flat angles P-C4'-P energy: -6.906
tors. eta vs tors. theta energy: -7.722
Dist. restrs. and SS energy: 0.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -177.631078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.631078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.344731 (E_RNA)
where:
Base-Base interactions energy: -128.353
where: short stacking energy: -57.503
Base-Backbone interact. energy: -0.005
local terms energy: -56.987130
where:
bonds (distance) C4'-P energy: -11.806
bonds (distance) P-C4' energy: -7.468
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -8.776
tors. eta vs tors. theta energy: -16.284
Dist. restrs. and SS energy: 7.714 (S_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: 370
Temperature: 0.900000
Total energy: -237.389023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.389023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.389493 (E_RNA)
where:
Base-Base interactions energy: -169.741
where: short stacking energy: -65.126
Base-Backbone interact. energy: -0.041
local terms energy: -67.607023
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -6.367
tors. eta vs tors. theta energy: -17.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -232.068215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.068215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.143750 (E_RNA)
where:
Base-Base interactions energy: -168.208
where: short stacking energy: -72.702
Base-Backbone interact. energy: -0.482
local terms energy: -63.453474
where:
bonds (distance) C4'-P energy: -10.215
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -6.835
tors. eta vs tors. theta energy: -18.057
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: 10
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -210.282349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.282349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.293174 (E_RNA)
where:
Base-Base interactions energy: -147.176
where: short stacking energy: -58.677
Base-Backbone interact. energy: -0.231
local terms energy: -62.886768
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -14.627
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: 5
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -214.057667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.057667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.057667 (E_RNA)
where:
Base-Base interactions energy: -149.238
where: short stacking energy: -61.337
Base-Backbone interact. energy: -0.124
local terms energy: -64.695138
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -13.380
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -15.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -206.131606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.131606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.268178 (E_RNA)
where:
Base-Base interactions energy: -148.976
where: short stacking energy: -61.046
Base-Backbone interact. energy: -0.008
local terms energy: -57.284101
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -11.570
flat angles P-C4'-P energy: -4.979
tors. eta vs tors. theta energy: -15.575
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: 3
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -205.521885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.521885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.521885 (E_RNA)
where:
Base-Base interactions energy: -147.729
where: short stacking energy: -58.390
Base-Backbone interact. energy: -0.005
local terms energy: -57.788079
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -11.161
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -5.053
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: 7, replica: 6
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -205.513722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.513722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.530731 (E_RNA)
where:
Base-Base interactions energy: -144.005
where: short stacking energy: -59.073
Base-Backbone interact. energy: -0.419
local terms energy: -61.106719
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -10.401
flat angles P-C4'-P energy: -7.248
tors. eta vs tors. theta energy: -15.292
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: 370
Temperature: 1.250000
Total energy: -197.456150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.456150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.584837 (E_RNA)
where:
Base-Base interactions energy: -134.508
where: short stacking energy: -57.597
Base-Backbone interact. energy: -0.033
local terms energy: -63.043425
where:
bonds (distance) C4'-P energy: -10.359
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -12.699
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -14.867
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: 9, replica: 4
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -191.040836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.040836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.997702 (E_RNA)
where:
Base-Base interactions energy: -133.957
where: short stacking energy: -57.599
Base-Backbone interact. energy: -0.282
local terms energy: -63.758841
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -10.878
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -17.570
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: 10, replica: 9
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -191.251654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.251654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.359025 (E_RNA)
where:
Base-Base interactions energy: -145.023
where: short stacking energy: -59.501
Base-Backbone interact. energy: -0.121
local terms energy: -46.214628
where:
bonds (distance) C4'-P energy: -7.216
bonds (distance) P-C4' energy: -4.674
flat angles C4'-P-C4' energy: -12.085
flat angles P-C4'-P energy: -5.692
tors. eta vs tors. theta energy: -16.547
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: 1, replica: 1
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -238.997677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.997677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.005609 (E_RNA)
where:
Base-Base interactions energy: -174.571
where: short stacking energy: -67.763
Base-Backbone interact. energy: -0.001
local terms energy: -64.433145
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -5.251
tors. eta vs tors. theta energy: -17.630
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: 371
Temperature: 0.950000
Total energy: -213.635280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.635280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.645517 (E_RNA)
where:
Base-Base interactions energy: -142.921
where: short stacking energy: -56.509
Base-Backbone interact. energy: -0.036
local terms energy: -70.688782
where:
bonds (distance) C4'-P energy: -11.948
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -18.298
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: 7
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -227.479963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.479963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.602564 (E_RNA)
where:
Base-Base interactions energy: -166.378
where: short stacking energy: -65.106
Base-Backbone interact. energy: -0.096
local terms energy: -61.128128
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -12.445
flat angles P-C4'-P energy: -4.752
tors. eta vs tors. theta energy: -17.414
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: 2
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -207.363825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.363825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.402077 (E_RNA)
where:
Base-Base interactions energy: -142.506
where: short stacking energy: -57.640
Base-Backbone interact. energy: -0.078
local terms energy: -64.818330
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: -13.809
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: 5
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -213.360488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.360488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.423339 (E_RNA)
where:
Base-Base interactions energy: -148.977
where: short stacking energy: -64.316
Base-Backbone interact. energy: -0.002
local terms energy: -64.443517
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -8.858
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -17.471
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: 6
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -206.611673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.611673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.614249 (E_RNA)
where:
Base-Base interactions energy: -149.841
where: short stacking energy: -55.427
Base-Backbone interact. energy: -0.014
local terms energy: -56.759019
where:
bonds (distance) C4'-P energy: -9.833
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -5.851
tors. eta vs tors. theta energy: -13.460
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: 3
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -196.987019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.987019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.016120 (E_RNA)
where:
Base-Base interactions energy: -135.168
where: short stacking energy: -53.262
Base-Backbone interact. energy: -0.028
local terms energy: -61.819923
where:
bonds (distance) C4'-P energy: -11.778
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -14.787
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: 4
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -177.880866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.880866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.453370 (E_RNA)
where:
Base-Base interactions energy: -127.975
where: short stacking energy: -49.726
Base-Backbone interact. energy: -0.104
local terms energy: -57.374829
where:
bonds (distance) C4'-P energy: -10.559
bonds (distance) P-C4' energy: -10.987
flat angles C4'-P-C4' energy: -11.999
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -14.724
Dist. restrs. and SS energy: 7.573 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -197.577852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.577852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.584118 (E_RNA)
where:
Base-Base interactions energy: -139.134
where: short stacking energy: -57.477
Base-Backbone interact. energy: -0.107
local terms energy: -58.342786
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -10.225
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: -13.873
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: 10, replica: 9
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -191.936491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.936491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.957933 (E_RNA)
where:
Base-Base interactions energy: -130.747
where: short stacking energy: -52.832
Base-Backbone interact. energy: -0.281
local terms energy: -60.930182
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -13.008
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: 1
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -236.943623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.943623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.052633 (E_RNA)
where:
Base-Base interactions energy: -173.425
where: short stacking energy: -72.117
Base-Backbone interact. energy: -0.608
local terms energy: -63.019180
where:
bonds (distance) C4'-P energy: -11.806
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -6.922
tors. eta vs tors. theta energy: -17.464
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: 10
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -219.882405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.882405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.958807 (E_RNA)
where:
Base-Base interactions energy: -150.856
where: short stacking energy: -63.278
Base-Backbone interact. energy: -0.000
local terms energy: -69.102916
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -12.123
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -11.175
tors. eta vs tors. theta energy: -19.250
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: 7
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -227.550953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.550953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.556984 (E_RNA)
where:
Base-Base interactions energy: -162.329
where: short stacking energy: -62.795
Base-Backbone interact. energy: -0.010
local terms energy: -65.218225
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: -14.829
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: 372
Temperature: 1.050000
Total energy: -211.988913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.988913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.113443 (E_RNA)
where:
Base-Base interactions energy: -154.377
where: short stacking energy: -62.981
Base-Backbone interact. energy: -0.002
local terms energy: -57.734279
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -4.075
tors. eta vs tors. theta energy: -15.546
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: 6
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -211.681073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.681073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.824916 (E_RNA)
where:
Base-Base interactions energy: -150.781
where: short stacking energy: -56.807
Base-Backbone interact. energy: -0.293
local terms energy: -60.751004
where:
bonds (distance) C4'-P energy: -10.812
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -5.945
tors. eta vs tors. theta energy: -16.272
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: 6, replica: 5
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -198.735268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.735268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.782479 (E_RNA)
where:
Base-Base interactions energy: -140.900
where: short stacking energy: -54.846
Base-Backbone interact. energy: -0.311
local terms energy: -57.571694
where:
bonds (distance) C4'-P energy: -9.305
bonds (distance) P-C4' energy: -11.923
flat angles C4'-P-C4' energy: -11.854
flat angles P-C4'-P energy: -8.002
tors. eta vs tors. theta energy: -16.487
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: 4
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -190.093908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.093908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.142186 (E_RNA)
where:
Base-Base interactions energy: -135.742
where: short stacking energy: -53.923
Base-Backbone interact. energy: -0.946
local terms energy: -60.454757
where:
bonds (distance) C4'-P energy: -8.939
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -6.923
tors. eta vs tors. theta energy: -16.214
Dist. restrs. and SS energy: 7.048 (S_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: 372
Temperature: 1.250000
Total energy: -211.797886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.797886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.800688 (E_RNA)
where:
Base-Base interactions energy: -145.442
where: short stacking energy: -58.150
Base-Backbone interact. energy: -0.003
local terms energy: -66.356154
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -14.866
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: 9
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -192.430324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.430324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.635241 (E_RNA)
where:
Base-Base interactions energy: -136.207
where: short stacking energy: -53.887
Base-Backbone interact. energy: -0.220
local terms energy: -56.207904
where:
bonds (distance) C4'-P energy: -10.053
bonds (distance) P-C4' energy: -11.786
flat angles C4'-P-C4' energy: -11.093
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: -14.309
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: 10, replica: 8
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -199.895363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.895363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.938040 (E_RNA)
where:
Base-Base interactions energy: -141.208
where: short stacking energy: -57.080
Base-Backbone interact. energy: -0.251
local terms energy: -58.479234
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -11.246
flat angles C4'-P-C4' energy: -12.368
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -13.741
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: 1
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -231.403510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.403510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.416967 (E_RNA)
where:
Base-Base interactions energy: -178.306
where: short stacking energy: -65.122
Base-Backbone interact. energy: -0.003
local terms energy: -53.107885
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -9.679
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -2.986
tors. eta vs tors. theta energy: -12.289
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: 373
Temperature: 0.950000
Total energy: -232.800419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.800419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.802563 (E_RNA)
where:
Base-Base interactions energy: -170.962
where: short stacking energy: -66.876
Base-Backbone interact. energy: -0.300
local terms energy: -61.540431
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -12.183
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -5.266
tors. eta vs tors. theta energy: -18.061
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: 10
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -216.747974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.747974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.786424 (E_RNA)
where:
Base-Base interactions energy: -150.832
where: short stacking energy: -57.573
Base-Backbone interact. energy: 0.393
local terms energy: -66.347446
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -13.024
flat angles C4'-P-C4' energy: -12.084
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -17.541
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: 373
Temperature: 1.050000
Total energy: -213.894687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.894687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.931349 (E_RNA)
where:
Base-Base interactions energy: -150.541
where: short stacking energy: -64.761
Base-Backbone interact. energy: -0.001
local terms energy: -63.389323
where:
bonds (distance) C4'-P energy: -9.427
bonds (distance) P-C4' energy: -12.287
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -17.365
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: 2
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -224.480393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.480393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.485901 (E_RNA)
where:
Base-Base interactions energy: -169.281
where: short stacking energy: -69.692
Base-Backbone interact. energy: -0.012
local terms energy: -55.192823
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -2.636
tors. eta vs tors. theta energy: -15.029
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: 373
Temperature: 1.150000
Total energy: -190.093919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.093919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.916004 (E_RNA)
where:
Base-Base interactions energy: -136.491
where: short stacking energy: -58.385
Base-Backbone interact. energy: 1.710
local terms energy: -63.134524
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -13.713
Dist. restrs. and SS energy: 7.822 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -204.663454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.663454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.844784 (E_RNA)
where:
Base-Base interactions energy: -139.297
where: short stacking energy: -58.672
Base-Backbone interact. energy: -0.000
local terms energy: -65.547003
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -11.967
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -17.587
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: 3
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -213.580150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.580150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.932947 (E_RNA)
where:
Base-Base interactions energy: -155.245
where: short stacking energy: -58.920
Base-Backbone interact. energy: -0.055
local terms energy: -58.632661
where:
bonds (distance) C4'-P energy: -12.317
bonds (distance) P-C4' energy: -10.897
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -5.281
tors. eta vs tors. theta energy: -16.150
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: 9, replica: 9
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -196.433417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.433417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.493809 (E_RNA)
where:
Base-Base interactions energy: -139.337
where: short stacking energy: -62.651
Base-Backbone interact. energy: -0.042
local terms energy: -57.115264
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -11.916
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -5.008
tors. eta vs tors. theta energy: -14.088
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: 8
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -197.331826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.331826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.377048 (E_RNA)
where:
Base-Base interactions energy: -139.466
where: short stacking energy: -56.529
Base-Backbone interact. energy: -0.002
local terms energy: -57.909224
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -10.952
flat angles C4'-P-C4' energy: -10.729
flat angles P-C4'-P energy: -6.577
tors. eta vs tors. theta energy: -17.160
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: 7
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -239.268193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.268193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.340550 (E_RNA)
where:
Base-Base interactions energy: -175.931
where: short stacking energy: -72.412
Base-Backbone interact. energy: -0.279
local terms energy: -63.129761
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -13.170
flat angles C4'-P-C4' energy: -14.101
flat angles P-C4'-P energy: -3.330
tors. eta vs tors. theta energy: -18.488
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: 1
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -226.970167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.970167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.970323 (E_RNA)
where:
Base-Base interactions energy: -173.483
where: short stacking energy: -67.728
Base-Backbone interact. energy: -0.082
local terms energy: -53.405052
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -10.775
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -1.542
tors. eta vs tors. theta energy: -13.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -219.505573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.505573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.626116 (E_RNA)
where:
Base-Base interactions energy: -153.110
where: short stacking energy: -68.539
Base-Backbone interact. energy: -0.077
local terms energy: -66.438996
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -12.192
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -18.234
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: 374
Temperature: 1.050000
Total energy: -207.221416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.221416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.301709 (E_RNA)
where:
Base-Base interactions energy: -148.939
where: short stacking energy: -59.974
Base-Backbone interact. energy: -0.169
local terms energy: -58.193346
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -11.112
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -11.284
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: 4
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -203.193052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.193052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.500044 (E_RNA)
where:
Base-Base interactions energy: -145.850
where: short stacking energy: -61.078
Base-Backbone interact. energy: -0.725
local terms energy: -64.924951
where:
bonds (distance) C4'-P energy: -12.565
bonds (distance) P-C4' energy: -11.790
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -7.881
tors. eta vs tors. theta energy: -18.691
Dist. restrs. and SS energy: 8.307 (S_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: 374
Temperature: 1.150000
Total energy: -219.823507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.823507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.882653 (E_RNA)
where:
Base-Base interactions energy: -160.630
where: short stacking energy: -64.459
Base-Backbone interact. energy: -0.186
local terms energy: -59.066586
where:
bonds (distance) C4'-P energy: -10.094
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -12.835
flat angles P-C4'-P energy: -7.247
tors. eta vs tors. theta energy: -16.251
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: 7, replica: 3
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -202.557975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.557975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.579427 (E_RNA)
where:
Base-Base interactions energy: -148.222
where: short stacking energy: -57.985
Base-Backbone interact. energy: -0.023
local terms energy: -54.334496
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -9.062
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -7.369
tors. eta vs tors. theta energy: -13.341
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: 5
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -199.517768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.517768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.560581 (E_RNA)
where:
Base-Base interactions energy: -137.848
where: short stacking energy: -56.803
Base-Backbone interact. energy: -0.013
local terms energy: -61.699260
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -11.987
flat angles C4'-P-C4' energy: -11.075
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -14.642
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: 8
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -197.085280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.085280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.155490 (E_RNA)
where:
Base-Base interactions energy: -141.424
where: short stacking energy: -57.422
Base-Backbone interact. energy: 2.179
local terms energy: -57.910633
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -8.819
flat angles C4'-P-C4' energy: -12.612
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -15.244
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: 10, replica: 9
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -190.309903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.309903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.357301 (E_RNA)
where:
Base-Base interactions energy: -138.732
where: short stacking energy: -54.861
Base-Backbone interact. energy: -0.081
local terms energy: -51.543490
where:
bonds (distance) C4'-P energy: -6.732
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -11.476
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -12.193
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: 1, replica: 7
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -237.409608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.409608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.409608 (E_RNA)
where:
Base-Base interactions energy: -174.111
where: short stacking energy: -71.769
Base-Backbone interact. energy: -0.007
local terms energy: -63.292473
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -14.183
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -3.469
tors. eta vs tors. theta energy: -16.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -228.984879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.984879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.024903 (E_RNA)
where:
Base-Base interactions energy: -165.177
where: short stacking energy: -67.822
Base-Backbone interact. energy: -0.024
local terms energy: -63.824370
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -3.096
tors. eta vs tors. theta energy: -16.965
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: 375
Temperature: 1.000000
Total energy: -213.354632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.354632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.357746 (E_RNA)
where:
Base-Base interactions energy: -145.199
where: short stacking energy: -59.029
Base-Backbone interact. energy: -0.010
local terms energy: -68.148171
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: -14.035
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: 375
Temperature: 1.050000
Total energy: -210.176977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.176977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.277887 (E_RNA)
where:
Base-Base interactions energy: -153.157
where: short stacking energy: -56.207
Base-Backbone interact. energy: -0.020
local terms energy: -57.101759
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -8.238
flat angles C4'-P-C4' energy: -12.231
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -13.188
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: 4
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -206.442199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.442199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.080510 (E_RNA)
where:
Base-Base interactions energy: -151.235
where: short stacking energy: -63.143
Base-Backbone interact. energy: -0.245
local terms energy: -63.600283
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -9.802
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: -17.384
Dist. restrs. and SS energy: 8.638 (S_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: -211.022670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.022670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.068733 (E_RNA)
where:
Base-Base interactions energy: -155.379
where: short stacking energy: -63.956
Base-Backbone interact. energy: 0.927
local terms energy: -56.617508
where:
bonds (distance) C4'-P energy: -10.894
bonds (distance) P-C4' energy: -9.089
flat angles C4'-P-C4' energy: -12.674
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -15.299
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: 2
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -210.533101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.533101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.566428 (E_RNA)
where:
Base-Base interactions energy: -146.802
where: short stacking energy: -58.482
Base-Backbone interact. energy: -0.001
local terms energy: -63.763021
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -12.673
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: -17.741
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: 8, replica: 8
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -199.364466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.364466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.391720 (E_RNA)
where:
Base-Base interactions energy: -141.044
where: short stacking energy: -55.140
Base-Backbone interact. energy: -0.047
local terms energy: -58.301112
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -14.379
flat angles P-C4'-P energy: -8.078
tors. eta vs tors. theta energy: -11.635
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: 375
Temperature: 1.300000
Total energy: -196.848828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.848828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.881905 (E_RNA)
where:
Base-Base interactions energy: -144.873
where: short stacking energy: -56.378
Base-Backbone interact. energy: -0.199
local terms energy: -51.809923
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -6.566
flat angles C4'-P-C4' energy: -9.616
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -14.004
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: 9
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -199.792396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.792396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.812863 (E_RNA)
where:
Base-Base interactions energy: -138.707
where: short stacking energy: -59.907
Base-Backbone interact. energy: -0.638
local terms energy: -60.467753
where:
bonds (distance) C4'-P energy: -8.605
bonds (distance) P-C4' energy: -10.612
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -16.632
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: 1, replica: 1
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -240.687997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.687997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.702931 (E_RNA)
where:
Base-Base interactions energy: -176.537
where: short stacking energy: -70.077
Base-Backbone interact. energy: -0.590
local terms energy: -63.575717
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -3.908
tors. eta vs tors. theta energy: -17.537
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: 376
Temperature: 0.950000
Total energy: -224.630449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.630449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.698154 (E_RNA)
where:
Base-Base interactions energy: -162.925
where: short stacking energy: -60.095
Base-Backbone interact. energy: -0.021
local terms energy: -61.751659
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -4.516
tors. eta vs tors. theta energy: -15.395
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: 10
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -228.100014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.100014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.129860 (E_RNA)
where:
Base-Base interactions energy: -168.810
where: short stacking energy: -70.393
Base-Backbone interact. energy: -0.002
local terms energy: -59.318025
where:
bonds (distance) C4'-P energy: -10.036
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -10.091
flat angles P-C4'-P energy: -7.416
tors. eta vs tors. theta energy: -16.060
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: 376
Temperature: 1.050000
Total energy: -215.737577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.737577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.737577 (E_RNA)
where:
Base-Base interactions energy: -154.074
where: short stacking energy: -55.694
Base-Backbone interact. energy: -0.020
local terms energy: -61.644223
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -7.394
tors. eta vs tors. theta energy: -13.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -210.253991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.253991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.271913 (E_RNA)
where:
Base-Base interactions energy: -146.624
where: short stacking energy: -60.433
Base-Backbone interact. energy: -0.521
local terms energy: -63.126963
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -13.513
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -8.767
tors. eta vs tors. theta energy: -16.269
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: 376
Temperature: 1.150000
Total energy: -200.574591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.574591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.109492 (E_RNA)
where:
Base-Base interactions energy: -148.013
where: short stacking energy: -61.384
Base-Backbone interact. energy: -0.028
local terms energy: -60.068572
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -10.020
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -8.739
tors. eta vs tors. theta energy: -16.180
Dist. restrs. and SS energy: 7.535 (S_DIST_RNA)
chem. 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: -197.352798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.352798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.408505 (E_RNA)
where:
Base-Base interactions energy: -139.442
where: short stacking energy: -58.269
Base-Backbone interact. energy: -0.009
local terms energy: -57.956952
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -10.593
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -8.597
tors. eta vs tors. theta energy: -13.391
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: 376
Temperature: 1.250000
Total energy: -197.911834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.911834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.049345 (E_RNA)
where:
Base-Base interactions energy: -141.362
where: short stacking energy: -58.921
Base-Backbone interact. energy: -0.117
local terms energy: -56.570956
where:
bonds (distance) C4'-P energy: -12.291
bonds (distance) P-C4' energy: -9.704
flat angles C4'-P-C4' energy: -10.748
flat angles P-C4'-P energy: -7.670
tors. eta vs tors. theta energy: -16.158
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: 9, replica: 9
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -198.378974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.378974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.433198 (E_RNA)
where:
Base-Base interactions energy: -143.410
where: short stacking energy: -57.972
Base-Backbone interact. energy: -0.004
local terms energy: -55.019179
where:
bonds (distance) C4'-P energy: -10.144
bonds (distance) P-C4' energy: -9.486
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: -14.626
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: 5
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -194.778798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.778798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.107727 (E_RNA)
where:
Base-Base interactions energy: -143.791
where: short stacking energy: -57.491
Base-Backbone interact. energy: -0.118
local terms energy: -51.198313
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -7.523
flat angles C4'-P-C4' energy: -10.119
flat angles P-C4'-P energy: -4.350
tors. eta vs tors. theta energy: -17.082
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: 1, replica: 1
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -233.320020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.320020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.371432 (E_RNA)
where:
Base-Base interactions energy: -167.481
where: short stacking energy: -66.001
Base-Backbone interact. energy: -0.152
local terms energy: -65.738048
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -6.816
tors. eta vs tors. theta energy: -16.309
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: 10
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -222.612845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.612845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.637138 (E_RNA)
where:
Base-Base interactions energy: -162.356
where: short stacking energy: -63.654
Base-Backbone interact. energy: -0.003
local terms energy: -60.278045
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -11.830
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -8.450
tors. eta vs tors. theta energy: -15.796
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: 377
Temperature: 1.000000
Total energy: -228.558216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.558216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.583550 (E_RNA)
where:
Base-Base interactions energy: -171.090
where: short stacking energy: -67.612
Base-Backbone interact. energy: -0.005
local terms energy: -57.488406
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -12.153
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -5.095
tors. eta vs tors. theta energy: -14.323
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: 3
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -210.192783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.192783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.192783 (E_RNA)
where:
Base-Base interactions energy: -140.037
where: short stacking energy: -54.328
Base-Backbone interact. energy: -0.016
local terms energy: -70.139616
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -12.778
tors. eta vs tors. theta energy: -15.884
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -219.775826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.775826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.775826 (E_RNA)
where:
Base-Base interactions energy: -162.771
where: short stacking energy: -62.574
Base-Backbone interact. energy: -0.022
local terms energy: -56.983046
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -7.893
flat angles C4'-P-C4' energy: -10.674
flat angles P-C4'-P energy: -6.953
tors. eta vs tors. theta energy: -16.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -203.310463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.310463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.525097 (E_RNA)
where:
Base-Base interactions energy: -147.629
where: short stacking energy: -56.711
Base-Backbone interact. energy: 0.408
local terms energy: -56.303376
where:
bonds (distance) C4'-P energy: -10.856
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -10.629
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -12.507
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: 377
Temperature: 1.200000
Total energy: -186.959727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.959727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.183905 (E_RNA)
where:
Base-Base interactions energy: -134.231
where: short stacking energy: -58.722
Base-Backbone interact. energy: -0.002
local terms energy: -59.950937
where:
bonds (distance) C4'-P energy: -10.501
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -15.136
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: 8, replica: 9
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -198.220115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.220115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.220115 (E_RNA)
where:
Base-Base interactions energy: -141.886
where: short stacking energy: -55.421
Base-Backbone interact. energy: -0.066
local terms energy: -56.268268
where:
bonds (distance) C4'-P energy: -10.654
bonds (distance) P-C4' energy: -13.284
flat angles C4'-P-C4' energy: -10.898
flat angles P-C4'-P energy: -4.510
tors. eta vs tors. theta energy: -16.923
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -197.754051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.754051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.847064 (E_RNA)
where:
Base-Base interactions energy: -140.445
where: short stacking energy: -60.028
Base-Backbone interact. energy: -0.019
local terms energy: -57.383272
where:
bonds (distance) C4'-P energy: -8.858
bonds (distance) P-C4' energy: -12.766
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -7.808
tors. eta vs tors. theta energy: -15.175
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: 377
Temperature: 1.350000
Total energy: -187.604161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.604161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.812525 (E_RNA)
where:
Base-Base interactions energy: -134.052
where: short stacking energy: -57.596
Base-Backbone interact. energy: -0.120
local terms energy: -53.640845
where:
bonds (distance) C4'-P energy: -8.839
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -10.364
flat angles P-C4'-P energy: -5.344
tors. eta vs tors. theta energy: -13.110
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: 1, replica: 1
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -236.889895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.889895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.909554 (E_RNA)
where:
Base-Base interactions energy: -171.091
where: short stacking energy: -72.013
Base-Backbone interact. energy: -0.006
local terms energy: -65.812058
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -11.672
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -4.926
tors. eta vs tors. theta energy: -19.147
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: 378
Temperature: 0.950000
Total energy: -221.781037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.781037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.786894 (E_RNA)
where:
Base-Base interactions energy: -164.086
where: short stacking energy: -62.069
Base-Backbone interact. energy: -0.094
local terms energy: -57.607276
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -12.257
flat angles C4'-P-C4' energy: -9.969
flat angles P-C4'-P energy: -7.547
tors. eta vs tors. theta energy: -16.025
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: 378
Temperature: 1.000000
Total energy: -211.744091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.744091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.744091 (E_RNA)
where:
Base-Base interactions energy: -142.320
where: short stacking energy: -57.038
Base-Backbone interact. energy: -0.100
local terms energy: -69.324304
where:
bonds (distance) C4'-P energy: -14.014
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -12.970
flat angles P-C4'-P energy: -10.943
tors. eta vs tors. theta energy: -15.617
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -212.655911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.655911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.701868 (E_RNA)
where:
Base-Base interactions energy: -148.574
where: short stacking energy: -61.901
Base-Backbone interact. energy: -0.130
local terms energy: -63.998213
where:
bonds (distance) C4'-P energy: -13.911
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -11.366
flat angles P-C4'-P energy: -4.993
tors. eta vs tors. theta energy: -18.188
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: 5, replica: 6
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -208.285288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.285288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.322459 (E_RNA)
where:
Base-Base interactions energy: -151.191
where: short stacking energy: -55.385
Base-Backbone interact. energy: -0.311
local terms energy: -56.820126
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -10.597
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -5.111
tors. eta vs tors. theta energy: -14.078
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: 8
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -214.088715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.088715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.088715 (E_RNA)
where:
Base-Base interactions energy: -152.851
where: short stacking energy: -58.857
Base-Backbone interact. energy: -0.002
local terms energy: -61.235337
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -4.166
tors. eta vs tors. theta energy: -16.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -205.455030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.455030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.877707 (E_RNA)
where:
Base-Base interactions energy: -140.272
where: short stacking energy: -59.470
Base-Backbone interact. energy: 0.534
local terms energy: -66.139587
where:
bonds (distance) C4'-P energy: -10.542
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: -15.883
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: 8, replica: 4
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -177.218412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.218412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.993446 (E_RNA)
where:
Base-Base interactions energy: -120.898
where: short stacking energy: -53.842
Base-Backbone interact. energy: -0.044
local terms energy: -63.051157
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -12.935
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -13.064
Dist. restrs. and SS energy: 6.775 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -196.663885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.663885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.840180 (E_RNA)
where:
Base-Base interactions energy: -145.895
where: short stacking energy: -50.065
Base-Backbone interact. energy: 0.126
local terms energy: -51.070845
where:
bonds (distance) C4'-P energy: -8.960
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -9.099
flat angles P-C4'-P energy: -8.140
tors. eta vs tors. theta energy: -11.153
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: 2
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -190.731868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.731868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.921362 (E_RNA)
where:
Base-Base interactions energy: -138.548
where: short stacking energy: -53.307
Base-Backbone interact. energy: -0.580
local terms energy: -51.793543
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -8.684
flat angles C4'-P-C4' energy: -10.400
flat angles P-C4'-P energy: -6.437
tors. eta vs tors. theta energy: -14.123
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: 1, replica: 1
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -240.885904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.885904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.885904 (E_RNA)
where:
Base-Base interactions energy: -174.514
where: short stacking energy: -70.951
Base-Backbone interact. energy: -0.003
local terms energy: -66.369013
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -14.280
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -6.685
tors. eta vs tors. theta energy: -16.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -223.442362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.442362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.531259 (E_RNA)
where:
Base-Base interactions energy: -160.971
where: short stacking energy: -61.283
Base-Backbone interact. energy: -0.001
local terms energy: -62.559545
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -5.185
tors. eta vs tors. theta energy: -18.154
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: 10
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -224.824186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.824186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.856057 (E_RNA)
where:
Base-Base interactions energy: -167.392
where: short stacking energy: -66.698
Base-Backbone interact. energy: -0.016
local terms energy: -57.447749
where:
bonds (distance) C4'-P energy: -9.995
bonds (distance) P-C4' energy: -12.058
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -5.456
tors. eta vs tors. theta energy: -15.185
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: 7
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -218.803684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.803684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.848050 (E_RNA)
where:
Base-Base interactions energy: -155.802
where: short stacking energy: -62.666
Base-Backbone interact. energy: -0.000
local terms energy: -63.045922
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -9.714
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -7.865
tors. eta vs tors. theta energy: -15.730
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: 6
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -216.340933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.340933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.449681 (E_RNA)
where:
Base-Base interactions energy: -157.811
where: short stacking energy: -59.398
Base-Backbone interact. energy: -0.099
local terms energy: -58.539871
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -14.487
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -6.570
tors. eta vs tors. theta energy: -12.281
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: 379
Temperature: 1.150000
Total energy: -206.047305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.047305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.152387 (E_RNA)
where:
Base-Base interactions energy: -145.817
where: short stacking energy: -58.614
Base-Backbone interact. energy: -0.020
local terms energy: -60.316365
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -6.945
tors. eta vs tors. theta energy: -11.990
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: 8
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -201.996570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.996570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.006166 (E_RNA)
where:
Base-Base interactions energy: -138.806
where: short stacking energy: -55.937
Base-Backbone interact. energy: 0.639
local terms energy: -63.839190
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -13.159
flat angles C4'-P-C4' energy: -8.720
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -15.574
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: 379
Temperature: 1.250000
Total energy: -202.941513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.941513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.960731 (E_RNA)
where:
Base-Base interactions energy: -142.049
where: short stacking energy: -56.542
Base-Backbone interact. energy: -0.527
local terms energy: -60.383871
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -12.051
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -12.447
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: 379
Temperature: 1.300000
Total energy: -180.038374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.038374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.718563 (E_RNA)
where:
Base-Base interactions energy: -129.081
where: short stacking energy: -59.149
Base-Backbone interact. energy: -1.291
local terms energy: -56.347173
where:
bonds (distance) C4'-P energy: -0.233
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: -14.592
Dist. restrs. and SS energy: 6.680 (S_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: 379
Temperature: 1.350000
Total energy: -195.448197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.448197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.494171 (E_RNA)
where:
Base-Base interactions energy: -138.695
where: short stacking energy: -57.168
Base-Backbone interact. energy: 0.895
local terms energy: -57.693993
where:
bonds (distance) C4'-P energy: -11.257
bonds (distance) P-C4' energy: -11.606
flat angles C4'-P-C4' energy: -11.909
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -13.285
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: 1
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -239.051197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.051197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.113428 (E_RNA)
where:
Base-Base interactions energy: -174.524
where: short stacking energy: -75.106
Base-Backbone interact. energy: -0.568
local terms energy: -64.021190
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -4.708
tors. eta vs tors. theta energy: -17.359
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: 380
Temperature: 0.950000
Total energy: -220.260498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.260498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.272668 (E_RNA)
where:
Base-Base interactions energy: -164.086
where: short stacking energy: -63.132
Base-Backbone interact. energy: -0.197
local terms energy: -55.989059
where:
bonds (distance) C4'-P energy: -11.182
bonds (distance) P-C4' energy: -11.183
flat angles C4'-P-C4' energy: -9.900
flat angles P-C4'-P energy: -7.204
tors. eta vs tors. theta energy: -16.520
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: 7
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -230.547393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.547393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.622944 (E_RNA)
where:
Base-Base interactions energy: -167.833
where: short stacking energy: -63.208
Base-Backbone interact. energy: -0.003
local terms energy: -62.786646
where:
bonds (distance) C4'-P energy: -12.594
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -3.380
tors. eta vs tors. theta energy: -16.646
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: 10
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -212.678706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.678706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.737991 (E_RNA)
where:
Base-Base interactions energy: -149.142
where: short stacking energy: -60.411
Base-Backbone interact. energy: -0.440
local terms energy: -63.156345
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -13.300
flat angles C4'-P-C4' energy: -14.041
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: -15.607
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: 6
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -206.188270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.188270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.236666 (E_RNA)
where:
Base-Base interactions energy: -145.552
where: short stacking energy: -56.899
Base-Backbone interact. energy: -0.003
local terms energy: -60.682431
where:
bonds (distance) C4'-P energy: -8.142
bonds (distance) P-C4' energy: -12.088
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -15.292
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: 9
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -202.546408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.546408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.576538 (E_RNA)
where:
Base-Base interactions energy: -146.643
where: short stacking energy: -58.704
Base-Backbone interact. energy: -0.023
local terms energy: -55.910396
where:
bonds (distance) C4'-P energy: -8.766
bonds (distance) P-C4' energy: -11.848
flat angles C4'-P-C4' energy: -12.219
flat angles P-C4'-P energy: -6.889
tors. eta vs tors. theta energy: -16.188
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: 5
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -208.902408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.902408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.913779 (E_RNA)
where:
Base-Base interactions energy: -149.524
where: short stacking energy: -62.022
Base-Backbone interact. energy: -0.001
local terms energy: -59.388996
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -7.177
tors. eta vs tors. theta energy: -14.735
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: 380
Temperature: 1.250000
Total energy: -196.176084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.176084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.184871 (E_RNA)
where:
Base-Base interactions energy: -139.196
where: short stacking energy: -52.889
Base-Backbone interact. energy: -0.101
local terms energy: -56.887592
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -7.522
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -15.192
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: 2
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -195.993031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.993031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.141080 (E_RNA)
where:
Base-Base interactions energy: -136.804
where: short stacking energy: -57.214
Base-Backbone interact. energy: -0.065
local terms energy: -59.272239
where:
bonds (distance) C4'-P energy: -6.949
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -16.155
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: 4
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -173.804784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.804784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.650104 (E_RNA)
where:
Base-Base interactions energy: -125.483
where: short stacking energy: -52.433
Base-Backbone interact. energy: 1.283
local terms energy: -58.449827
where:
bonds (distance) C4'-P energy: -11.642
bonds (distance) P-C4' energy: -13.419
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -8.593
tors. eta vs tors. theta energy: -12.053
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: 1, replica: 1
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -237.923903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.923903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.933883 (E_RNA)
where:
Base-Base interactions energy: -175.185
where: short stacking energy: -71.614
Base-Backbone interact. energy: -0.020
local terms energy: -62.728965
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -5.522
tors. eta vs tors. theta energy: -16.110
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: 7
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -228.352481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.352481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.432369 (E_RNA)
where:
Base-Base interactions energy: -172.373
where: short stacking energy: -67.757
Base-Backbone interact. energy: -0.001
local terms energy: -56.059169
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -0.473
tors. eta vs tors. theta energy: -17.490
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: 3
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -225.728475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.728475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.758998 (E_RNA)
where:
Base-Base interactions energy: -160.037
where: short stacking energy: -63.898
Base-Backbone interact. energy: -0.004
local terms energy: -65.718618
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -4.501
tors. eta vs tors. theta energy: -16.972
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: 10
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -212.694733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.694733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.720042 (E_RNA)
where:
Base-Base interactions energy: -147.931
where: short stacking energy: -58.198
Base-Backbone interact. energy: -0.001
local terms energy: -64.788257
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -12.038
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -17.119
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: 6
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -207.584960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.584960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.591596 (E_RNA)
where:
Base-Base interactions energy: -156.107
where: short stacking energy: -60.056
Base-Backbone interact. energy: -0.411
local terms energy: -51.073580
where:
bonds (distance) C4'-P energy: -8.121
bonds (distance) P-C4' energy: -11.710
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -4.743
tors. eta vs tors. theta energy: -13.390
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: 5
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -206.657358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.657358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.686065 (E_RNA)
where:
Base-Base interactions energy: -146.373
where: short stacking energy: -57.102
Base-Backbone interact. energy: -0.050
local terms energy: -60.263109
where:
bonds (distance) C4'-P energy: -10.040
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -7.028
tors. eta vs tors. theta energy: -15.867
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: 9
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -198.133660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.133660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.146948 (E_RNA)
where:
Base-Base interactions energy: -141.929
where: short stacking energy: -56.901
Base-Backbone interact. energy: -0.313
local terms energy: -55.905058
where:
bonds (distance) C4'-P energy: -9.047
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -11.869
flat angles P-C4'-P energy: -7.517
tors. eta vs tors. theta energy: -13.825
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: 381
Temperature: 1.250000
Total energy: -196.609813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.609813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.633430 (E_RNA)
where:
Base-Base interactions energy: -147.568
where: short stacking energy: -59.591
Base-Backbone interact. energy: -0.028
local terms energy: -49.037990
where:
bonds (distance) C4'-P energy: -6.237
bonds (distance) P-C4' energy: -3.193
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -16.053
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: 8
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -198.957392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.957392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.312411 (E_RNA)
where:
Base-Base interactions energy: -147.542
where: short stacking energy: -59.961
Base-Backbone interact. energy: -0.001
local terms energy: -51.769344
where:
bonds (distance) C4'-P energy: -5.036
bonds (distance) P-C4' energy: -10.250
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: -15.931
Dist. restrs. and SS energy: 0.355 (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: 381
Temperature: 1.350000
Total energy: -170.686506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.686506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.105031 (E_RNA)
where:
Base-Base interactions energy: -123.405
where: short stacking energy: -46.888
Base-Backbone interact. energy: -0.107
local terms energy: -54.592691
where:
bonds (distance) C4'-P energy: -10.923
bonds (distance) P-C4' energy: -12.991
flat angles C4'-P-C4' energy: -12.026
flat angles P-C4'-P energy: -6.545
tors. eta vs tors. theta energy: -12.108
Dist. restrs. and SS energy: 7.419 (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: 1
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -241.076715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.076715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.183752 (E_RNA)
where:
Base-Base interactions energy: -173.667
where: short stacking energy: -67.636
Base-Backbone interact. energy: -0.003
local terms energy: -67.514563
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -18.651
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: 382
Temperature: 0.950000
Total energy: -228.384889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.384889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.384889 (E_RNA)
where:
Base-Base interactions energy: -166.534
where: short stacking energy: -64.563
Base-Backbone interact. energy: -0.011
local terms energy: -61.839433
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -10.684
flat angles P-C4'-P energy: -4.852
tors. eta vs tors. theta energy: -16.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -218.609074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.609074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.666817 (E_RNA)
where:
Base-Base interactions energy: -156.539
where: short stacking energy: -62.284
Base-Backbone interact. energy: -0.002
local terms energy: -62.125167
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -12.001
flat angles P-C4'-P energy: -6.590
tors. eta vs tors. theta energy: -15.319
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: 10
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -209.609253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.609253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.609253 (E_RNA)
where:
Base-Base interactions energy: -145.905
where: short stacking energy: -56.661
Base-Backbone interact. energy: -0.317
local terms energy: -63.387756
where:
bonds (distance) C4'-P energy: -10.505
bonds (distance) P-C4' energy: -14.213
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -15.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -215.906103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.906103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.959442 (E_RNA)
where:
Base-Base interactions energy: -155.376
where: short stacking energy: -64.547
Base-Backbone interact. energy: -0.003
local terms energy: -60.580866
where:
bonds (distance) C4'-P energy: -9.354
bonds (distance) P-C4' energy: -15.059
flat angles C4'-P-C4' energy: -11.911
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -15.360
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: 6
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -209.554798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.554798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.653362 (E_RNA)
where:
Base-Base interactions energy: -149.502
where: short stacking energy: -57.573
Base-Backbone interact. energy: -0.108
local terms energy: -60.043395
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -6.585
tors. eta vs tors. theta energy: -15.161
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: 382
Temperature: 1.200000
Total energy: -203.830310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.830310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.830310 (E_RNA)
where:
Base-Base interactions energy: -151.273
where: short stacking energy: -62.489
Base-Backbone interact. energy: 1.365
local terms energy: -53.921444
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -10.087
flat angles C4'-P-C4' energy: -12.507
flat angles P-C4'-P energy: -2.448
tors. eta vs tors. theta energy: -18.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -206.902126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.902126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.941834 (E_RNA)
where:
Base-Base interactions energy: -140.288
where: short stacking energy: -59.969
Base-Backbone interact. energy: -0.453
local terms energy: -66.201131
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -11.111
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -11.385
tors. eta vs tors. theta energy: -16.651
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: 8
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -196.789751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.789751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.847501 (E_RNA)
where:
Base-Base interactions energy: -134.499
where: short stacking energy: -49.752
Base-Backbone interact. energy: -0.141
local terms energy: -62.207198
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -10.468
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -15.626
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: 10, replica: 4
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -173.081503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.081503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.861704 (E_RNA)
where:
Base-Base interactions energy: -122.627
where: short stacking energy: -51.521
Base-Backbone interact. energy: 0.932
local terms energy: -59.166680
where:
bonds (distance) C4'-P energy: -11.214
bonds (distance) P-C4' energy: -10.932
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -11.543
Dist. restrs. and SS energy: 7.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -237.029881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.029881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.029881 (E_RNA)
where:
Base-Base interactions energy: -172.019
where: short stacking energy: -66.099
Base-Backbone interact. energy: -0.418
local terms energy: -64.593073
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -5.156
tors. eta vs tors. theta energy: -15.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -231.408852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.408852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.452157 (E_RNA)
where:
Base-Base interactions energy: -167.926
where: short stacking energy: -64.845
Base-Backbone interact. energy: -0.008
local terms energy: -63.518087
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -7.313
tors. eta vs tors. theta energy: -17.197
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: 3
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -218.574492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.574492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.574492 (E_RNA)
where:
Base-Base interactions energy: -157.390
where: short stacking energy: -59.365
Base-Backbone interact. energy: -0.478
local terms energy: -60.706758
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -9.813
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: -15.132
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -221.300292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.300292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.300292 (E_RNA)
where:
Base-Base interactions energy: -153.886
where: short stacking energy: -61.720
Base-Backbone interact. energy: -0.041
local terms energy: -67.372935
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -12.226
flat angles C4'-P-C4' energy: -13.604
flat angles P-C4'-P energy: -12.216
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: 5, replica: 10
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -207.518171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.518171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.524083 (E_RNA)
where:
Base-Base interactions energy: -144.192
where: short stacking energy: -61.726
Base-Backbone interact. energy: -0.004
local terms energy: -63.328174
where:
bonds (distance) C4'-P energy: -10.439
bonds (distance) P-C4' energy: -11.266
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -18.877
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: 383
Temperature: 1.150000
Total energy: -203.460304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.460304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.463878 (E_RNA)
where:
Base-Base interactions energy: -143.249
where: short stacking energy: -57.109
Base-Backbone interact. energy: -0.001
local terms energy: -60.214357
where:
bonds (distance) C4'-P energy: -9.664
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -8.267
tors. eta vs tors. theta energy: -15.060
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: 383
Temperature: 1.200000
Total energy: -198.938186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.938186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.979937 (E_RNA)
where:
Base-Base interactions energy: -141.876
where: short stacking energy: -57.029
Base-Backbone interact. energy: 0.023
local terms energy: -57.126499
where:
bonds (distance) C4'-P energy: -10.649
bonds (distance) P-C4' energy: -12.561
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -13.000
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: 8, replica: 9
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -214.147830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.147830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.266278 (E_RNA)
where:
Base-Base interactions energy: -160.961
where: short stacking energy: -60.366
Base-Backbone interact. energy: -0.050
local terms energy: -53.254779
where:
bonds (distance) C4'-P energy: -9.286
bonds (distance) P-C4' energy: -10.910
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -3.537
tors. eta vs tors. theta energy: -16.521
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: 8
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -187.735454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.735454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.779989 (E_RNA)
where:
Base-Base interactions energy: -129.642
where: short stacking energy: -51.491
Base-Backbone interact. energy: -0.035
local terms energy: -58.102646
where:
bonds (distance) C4'-P energy: -10.625
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -10.246
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -13.969
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: 10, replica: 4
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -179.044667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.044667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.076167 (E_RNA)
where:
Base-Base interactions energy: -127.708
where: short stacking energy: -57.451
Base-Backbone interact. energy: -1.296
local terms energy: -57.071519
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -8.591
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: -16.252
Dist. restrs. and SS energy: 7.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -232.118244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.118244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.139025 (E_RNA)
where:
Base-Base interactions energy: -169.274
where: short stacking energy: -70.732
Base-Backbone interact. energy: -0.015
local terms energy: -62.849600
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -4.898
tors. eta vs tors. theta energy: -17.138
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: 7
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -232.946002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.946002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.976155 (E_RNA)
where:
Base-Base interactions energy: -172.718
where: short stacking energy: -70.823
Base-Backbone interact. energy: -0.022
local terms energy: -60.236253
where:
bonds (distance) C4'-P energy: -10.948
bonds (distance) P-C4' energy: -13.098
flat angles C4'-P-C4' energy: -12.400
flat angles P-C4'-P energy: -5.471
tors. eta vs tors. theta energy: -18.319
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: 384
Temperature: 1.000000
Total energy: -227.294206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.294206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.371636 (E_RNA)
where:
Base-Base interactions energy: -165.169
where: short stacking energy: -67.522
Base-Backbone interact. energy: -0.615
local terms energy: -61.587383
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -14.025
flat angles C4'-P-C4' energy: -12.984
flat angles P-C4'-P energy: -5.838
tors. eta vs tors. theta energy: -13.764
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: 4, replica: 5
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -215.509788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.509788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.509788 (E_RNA)
where:
Base-Base interactions energy: -153.290
where: short stacking energy: -63.870
Base-Backbone interact. energy: -0.001
local terms energy: -62.218252
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -10.304
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -14.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -210.492659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.492659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.692071 (E_RNA)
where:
Base-Base interactions energy: -147.939
where: short stacking energy: -63.286
Base-Backbone interact. energy: -0.003
local terms energy: -62.750608
where:
bonds (distance) C4'-P energy: -7.106
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -17.650
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: 10
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -206.178408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.178408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.215721 (E_RNA)
where:
Base-Base interactions energy: -143.366
where: short stacking energy: -62.030
Base-Backbone interact. energy: -0.191
local terms energy: -62.658401
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -11.467
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: -15.723
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: 9
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -200.716934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.716934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.740759 (E_RNA)
where:
Base-Base interactions energy: -144.800
where: short stacking energy: -56.363
Base-Backbone interact. energy: -0.004
local terms energy: -55.936507
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -7.586
flat angles C4'-P-C4' energy: -11.253
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -14.130
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: 8, replica: 6
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -203.495593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.495593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.562315 (E_RNA)
where:
Base-Base interactions energy: -146.718
where: short stacking energy: -60.775
Base-Backbone interact. energy: -0.000
local terms energy: -56.844263
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -11.980
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -0.392
tors. eta vs tors. theta energy: -20.105
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: 384
Temperature: 1.300000
Total energy: -196.874949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.874949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.983530 (E_RNA)
where:
Base-Base interactions energy: -139.745
where: short stacking energy: -58.176
Base-Backbone interact. energy: 1.423
local terms energy: -58.661617
where:
bonds (distance) C4'-P energy: -11.820
bonds (distance) P-C4' energy: -10.634
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -7.212
tors. eta vs tors. theta energy: -15.117
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: 10, replica: 4
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -166.129354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.129354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.138180 (E_RNA)
where:
Base-Base interactions energy: -120.676
where: short stacking energy: -45.378
Base-Backbone interact. energy: -0.327
local terms energy: -53.135455
where:
bonds (distance) C4'-P energy: -9.771
bonds (distance) P-C4' energy: -11.259
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: -12.080
Dist. restrs. and SS energy: 8.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -235.713651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.713651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.713651 (E_RNA)
where:
Base-Base interactions energy: -171.499
where: short stacking energy: -72.300
Base-Backbone interact. energy: -0.458
local terms energy: -63.756576
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -6.235
tors. eta vs tors. theta energy: -17.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -229.340942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.340942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.367006 (E_RNA)
where:
Base-Base interactions energy: -167.163
where: short stacking energy: -61.309
Base-Backbone interact. energy: -0.138
local terms energy: -62.066400
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -12.922
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -7.001
tors. eta vs tors. theta energy: -14.619
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: 7
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -228.546784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.546784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.546784 (E_RNA)
where:
Base-Base interactions energy: -170.323
where: short stacking energy: -68.019
Base-Backbone interact. energy: -0.009
local terms energy: -58.214657
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -12.556
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -1.620
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: 4, replica: 5
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -211.884189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.884189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.904564 (E_RNA)
where:
Base-Base interactions energy: -144.543
where: short stacking energy: -61.810
Base-Backbone interact. energy: -0.242
local terms energy: -67.119955
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -11.566
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: -16.136
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: 2
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -205.232650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.232650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.232650 (E_RNA)
where:
Base-Base interactions energy: -147.322
where: short stacking energy: -60.044
Base-Backbone interact. energy: -0.069
local terms energy: -57.842222
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -9.601
flat angles C4'-P-C4' energy: -11.491
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -14.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -216.138663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.138663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.268038 (E_RNA)
where:
Base-Base interactions energy: -160.070
where: short stacking energy: -62.283
Base-Backbone interact. energy: -0.005
local terms energy: -56.192497
where:
bonds (distance) C4'-P energy: -9.511
bonds (distance) P-C4' energy: -12.741
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -4.218
tors. eta vs tors. theta energy: -16.040
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: 385
Temperature: 1.200000
Total energy: -204.540012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.540012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.044182 (E_RNA)
where:
Base-Base interactions energy: -149.955
where: short stacking energy: -59.507
Base-Backbone interact. energy: -0.002
local terms energy: -55.087169
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -12.246
flat angles C4'-P-C4' energy: -11.889
flat angles P-C4'-P energy: -5.362
tors. eta vs tors. theta energy: -13.487
Dist. restrs. and SS energy: 0.504 (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: 8
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -198.101425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.101425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.262293 (E_RNA)
where:
Base-Base interactions energy: -137.272
where: short stacking energy: -55.678
Base-Backbone interact. energy: -0.822
local terms energy: -60.167977
where:
bonds (distance) C4'-P energy: -7.276
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -13.322
flat angles P-C4'-P energy: -11.103
tors. eta vs tors. theta energy: -15.477
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: 9, replica: 6
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -204.506550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.506550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.568448 (E_RNA)
where:
Base-Base interactions energy: -140.870
where: short stacking energy: -54.694
Base-Backbone interact. energy: -0.283
local terms energy: -63.415377
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -9.181
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -16.016
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: 385
Temperature: 1.350000
Total energy: -178.145828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.145828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.207798 (E_RNA)
where:
Base-Base interactions energy: -133.462
where: short stacking energy: -53.656
Base-Backbone interact. energy: -0.618
local terms energy: -51.127988
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -10.344
flat angles C4'-P-C4' energy: -10.136
flat angles P-C4'-P energy: -4.523
tors. eta vs tors. theta energy: -12.421
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: 1, replica: 1
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -232.970112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.970112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.027367 (E_RNA)
where:
Base-Base interactions energy: -165.376
where: short stacking energy: -63.013
Base-Backbone interact. energy: -0.021
local terms energy: -67.630483
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -13.928
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -7.431
tors. eta vs tors. theta energy: -17.357
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: 3
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -228.053846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.053846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.111328 (E_RNA)
where:
Base-Base interactions energy: -167.408
where: short stacking energy: -65.703
Base-Backbone interact. energy: -0.037
local terms energy: -60.666740
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -12.767
flat angles C4'-P-C4' energy: -12.999
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: -15.444
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: 5
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -217.949147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.949147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.030422 (E_RNA)
where:
Base-Base interactions energy: -152.267
where: short stacking energy: -66.426
Base-Backbone interact. energy: -0.002
local terms energy: -65.761258
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -15.605
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: 7
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -208.185940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.185940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.245667 (E_RNA)
where:
Base-Base interactions energy: -145.460
where: short stacking energy: -58.156
Base-Backbone interact. energy: -0.008
local terms energy: -62.778286
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -12.393
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -11.465
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: 9
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -215.241932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.241932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.241932 (E_RNA)
where:
Base-Base interactions energy: -155.878
where: short stacking energy: -58.522
Base-Backbone interact. energy: -0.045
local terms energy: -59.318294
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -11.825
flat angles C4'-P-C4' energy: -9.314
flat angles P-C4'-P energy: -5.429
tors. eta vs tors. theta energy: -17.784
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -204.033155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.033155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.247658 (E_RNA)
where:
Base-Base interactions energy: -144.339
where: short stacking energy: -64.109
Base-Backbone interact. energy: -0.163
local terms energy: -59.745777
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -10.458
flat angles C4'-P-C4' energy: -11.974
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -15.207
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: 8
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -208.870054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.870054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.061131 (E_RNA)
where:
Base-Base interactions energy: -147.046
where: short stacking energy: -63.118
Base-Backbone interact. energy: -0.002
local terms energy: -62.013163
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -10.071
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -16.543
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: 8, replica: 10
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -200.435060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.435060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.499092 (E_RNA)
where:
Base-Base interactions energy: -140.386
where: short stacking energy: -53.638
Base-Backbone interact. energy: -0.027
local terms energy: -60.085384
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -4.683
tors. eta vs tors. theta energy: -15.910
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: 9, replica: 6
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -196.046802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.046802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.301294 (E_RNA)
where:
Base-Base interactions energy: -133.057
where: short stacking energy: -55.602
Base-Backbone interact. energy: -0.059
local terms energy: -63.184752
where:
bonds (distance) C4'-P energy: -5.648
bonds (distance) P-C4' energy: -12.196
flat angles C4'-P-C4' energy: -16.440
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -18.002
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: 10, replica: 4
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -170.213173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.213173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.017387 (E_RNA)
where:
Base-Base interactions energy: -123.679
where: short stacking energy: -51.625
Base-Backbone interact. energy: -2.109
local terms energy: -51.229317
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -9.329
flat angles C4'-P-C4' energy: -8.118
flat angles P-C4'-P energy: -5.199
tors. eta vs tors. theta energy: -14.995
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: 1
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -236.427120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.427120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.552293 (E_RNA)
where:
Base-Base interactions energy: -172.885
where: short stacking energy: -66.935
Base-Backbone interact. energy: -0.340
local terms energy: -63.327032
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -14.780
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -4.705
tors. eta vs tors. theta energy: -15.776
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: 5
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -216.313321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.313321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.358263 (E_RNA)
where:
Base-Base interactions energy: -148.410
where: short stacking energy: -61.664
Base-Backbone interact. energy: 1.314
local terms energy: -69.262076
where:
bonds (distance) C4'-P energy: -9.835
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: -17.207
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: 3
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -221.225201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.225201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.263511 (E_RNA)
where:
Base-Base interactions energy: -161.717
where: short stacking energy: -67.903
Base-Backbone interact. energy: -0.093
local terms energy: -59.453715
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -10.404
flat angles P-C4'-P energy: -6.673
tors. eta vs tors. theta energy: -15.317
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: 387
Temperature: 1.050000
Total energy: -209.757676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.757676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.995025 (E_RNA)
where:
Base-Base interactions energy: -142.768
where: short stacking energy: -56.143
Base-Backbone interact. energy: -0.040
local terms energy: -67.187001
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -10.153
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -13.452
tors. eta vs tors. theta energy: -16.465
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: 5, replica: 7
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -209.693354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.693354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.761973 (E_RNA)
where:
Base-Base interactions energy: -144.788
where: short stacking energy: -56.174
Base-Backbone interact. energy: -0.046
local terms energy: -64.928487
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -12.307
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -15.771
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: 6, replica: 8
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -204.280776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.280776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.331910 (E_RNA)
where:
Base-Base interactions energy: -141.879
where: short stacking energy: -60.175
Base-Backbone interact. energy: -0.001
local terms energy: -62.451813
where:
bonds (distance) C4'-P energy: -10.901
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -15.353
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: 2
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -201.996439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.996439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.019138 (E_RNA)
where:
Base-Base interactions energy: -143.590
where: short stacking energy: -62.496
Base-Backbone interact. energy: -0.338
local terms energy: -58.090383
where:
bonds (distance) C4'-P energy: -11.067
bonds (distance) P-C4' energy: -8.545
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -16.876
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: 387
Temperature: 1.250000
Total energy: -200.133348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.133348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.186715 (E_RNA)
where:
Base-Base interactions energy: -136.427
where: short stacking energy: -57.315
Base-Backbone interact. energy: 1.260
local terms energy: -65.019783
where:
bonds (distance) C4'-P energy: -12.416
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -11.713
flat angles P-C4'-P energy: -11.740
tors. eta vs tors. theta energy: -15.129
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: 10
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -197.203139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.203139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.305898 (E_RNA)
where:
Base-Base interactions energy: -136.431
where: short stacking energy: -49.498
Base-Backbone interact. energy: -0.309
local terms energy: -60.565938
where:
bonds (distance) C4'-P energy: -12.272
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -11.902
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: -15.712
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: 10, replica: 4
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -177.502441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.502441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.419062 (E_RNA)
where:
Base-Base interactions energy: -128.097
where: short stacking energy: -53.547
Base-Backbone interact. energy: -0.259
local terms energy: -57.063163
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -8.623
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -7.925
tors. eta vs tors. theta energy: -16.192
Dist. restrs. and SS energy: 7.917 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -237.954808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.954808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.965242 (E_RNA)
where:
Base-Base interactions energy: -174.936
where: short stacking energy: -71.793
Base-Backbone interact. energy: -0.003
local terms energy: -63.026399
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -13.205
flat angles P-C4'-P energy: -7.507
tors. eta vs tors. theta energy: -17.297
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: 5
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -216.672195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.672195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.705411 (E_RNA)
where:
Base-Base interactions energy: -153.125
where: short stacking energy: -59.829
Base-Backbone interact. energy: 0.418
local terms energy: -63.997926
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -7.218
tors. eta vs tors. theta energy: -15.916
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: 9
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -220.123722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.123722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.157798 (E_RNA)
where:
Base-Base interactions energy: -152.797
where: short stacking energy: -63.157
Base-Backbone interact. energy: -0.000
local terms energy: -67.360705
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -17.634
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: 3
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -208.398534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.398534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.448949 (E_RNA)
where:
Base-Base interactions energy: -143.785
where: short stacking energy: -57.994
Base-Backbone interact. energy: -0.262
local terms energy: -64.402252
where:
bonds (distance) C4'-P energy: -14.926
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -14.604
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: 388
Temperature: 1.100000
Total energy: -212.826575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.826575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.878343 (E_RNA)
where:
Base-Base interactions energy: -154.542
where: short stacking energy: -64.105
Base-Backbone interact. energy: -0.279
local terms energy: -58.056966
where:
bonds (distance) C4'-P energy: -11.104
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -10.868
flat angles P-C4'-P energy: -8.683
tors. eta vs tors. theta energy: -14.367
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: 6, replica: 7
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -201.389388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.389388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.479935 (E_RNA)
where:
Base-Base interactions energy: -136.945
where: short stacking energy: -60.087
Base-Backbone interact. energy: -0.222
local terms energy: -64.313497
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -13.586
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -12.555
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: 2
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -203.930768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.930768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.963077 (E_RNA)
where:
Base-Base interactions energy: -144.207
where: short stacking energy: -56.067
Base-Backbone interact. energy: -0.665
local terms energy: -59.091789
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -4.841
tors. eta vs tors. theta energy: -14.383
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: 8, replica: 6
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -199.336564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.336564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.554754 (E_RNA)
where:
Base-Base interactions energy: -142.265
where: short stacking energy: -54.082
Base-Backbone interact. energy: 0.832
local terms energy: -58.121440
where:
bonds (distance) C4'-P energy: -10.956
bonds (distance) P-C4' energy: -15.129
flat angles C4'-P-C4' energy: -12.010
flat angles P-C4'-P energy: -5.433
tors. eta vs tors. theta energy: -14.594
Dist. restrs. and SS energy: 0.218 (S_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: 388
Temperature: 1.300000
Total energy: -191.420437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.420437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.434550 (E_RNA)
where:
Base-Base interactions energy: -132.553
where: short stacking energy: -56.362
Base-Backbone interact. energy: -0.009
local terms energy: -58.872281
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -11.865
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: 388
Temperature: 1.350000
Total energy: -171.470322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.470322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.852207 (E_RNA)
where:
Base-Base interactions energy: -121.669
where: short stacking energy: -55.095
Base-Backbone interact. energy: -0.008
local terms energy: -57.175270
where:
bonds (distance) C4'-P energy: -10.824
bonds (distance) P-C4' energy: -6.766
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -17.031
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: 1, replica: 1
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -237.598465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.598465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.630907 (E_RNA)
where:
Base-Base interactions energy: -176.192
where: short stacking energy: -70.391
Base-Backbone interact. energy: -0.006
local terms energy: -61.432323
where:
bonds (distance) C4'-P energy: -11.317
bonds (distance) P-C4' energy: -12.042
flat angles C4'-P-C4' energy: -16.481
flat angles P-C4'-P energy: -4.505
tors. eta vs tors. theta energy: -17.088
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: 9
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -222.787874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.787874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.796649 (E_RNA)
where:
Base-Base interactions energy: -156.466
where: short stacking energy: -64.604
Base-Backbone interact. energy: -0.041
local terms energy: -66.288961
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -6.019
tors. eta vs tors. theta energy: -19.995
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: 5
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -214.979912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.979912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.001132 (E_RNA)
where:
Base-Base interactions energy: -152.101
where: short stacking energy: -55.326
Base-Backbone interact. energy: -0.151
local terms energy: -62.749265
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -12.001
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: 8
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -224.878224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.878224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.900328 (E_RNA)
where:
Base-Base interactions energy: -168.520
where: short stacking energy: -65.950
Base-Backbone interact. energy: -0.522
local terms energy: -55.858212
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -14.941
flat angles C4'-P-C4' energy: -6.706
flat angles P-C4'-P energy: -4.448
tors. eta vs tors. theta energy: -19.610
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: 389
Temperature: 1.100000
Total energy: -206.963122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.963122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.097368 (E_RNA)
where:
Base-Base interactions energy: -140.771
where: short stacking energy: -58.691
Base-Backbone interact. energy: -0.241
local terms energy: -66.085487
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -12.617
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -15.654
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: 6, replica: 2
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -206.783606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.783606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.806669 (E_RNA)
where:
Base-Base interactions energy: -149.497
where: short stacking energy: -61.715
Base-Backbone interact. energy: -0.159
local terms energy: -57.150948
where:
bonds (distance) C4'-P energy: -9.626
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -13.317
flat angles P-C4'-P energy: -6.105
tors. eta vs tors. theta energy: -14.982
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: 7
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -205.918548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.918548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.107628 (E_RNA)
where:
Base-Base interactions energy: -146.056
where: short stacking energy: -60.770
Base-Backbone interact. energy: -0.033
local terms energy: -60.018595
where:
bonds (distance) C4'-P energy: -9.109
bonds (distance) P-C4' energy: -11.157
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -16.289
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: 8, replica: 10
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -199.035131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.035131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.187783 (E_RNA)
where:
Base-Base interactions energy: -137.595
where: short stacking energy: -52.808
Base-Backbone interact. energy: -0.115
local terms energy: -61.478390
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -11.528
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: 6
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -201.929034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.929034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.990297 (E_RNA)
where:
Base-Base interactions energy: -139.919
where: short stacking energy: -57.000
Base-Backbone interact. energy: 0.586
local terms energy: -62.656423
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: -11.976
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: 4
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -192.167405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.167405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.379367 (E_RNA)
where:
Base-Base interactions energy: -135.349
where: short stacking energy: -57.227
Base-Backbone interact. energy: -1.112
local terms energy: -62.918038
where:
bonds (distance) C4'-P energy: -10.587
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -15.593
Dist. restrs. and SS energy: 7.212 (S_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: 390
Temperature: 0.900000
Total energy: -216.940104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.940104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.973735 (E_RNA)
where:
Base-Base interactions energy: -148.532
where: short stacking energy: -60.307
Base-Backbone interact. energy: -0.100
local terms energy: -68.341982
where:
bonds (distance) C4'-P energy: -12.899
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -15.231
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: 1
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -239.280646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.280646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.437127 (E_RNA)
where:
Base-Base interactions energy: -176.339
where: short stacking energy: -73.599
Base-Backbone interact. energy: -0.001
local terms energy: -63.097010
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -11.425
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -4.663
tors. eta vs tors. theta energy: -17.729
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: 3, replica: 8
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -224.224596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.224596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.257526 (E_RNA)
where:
Base-Base interactions energy: -164.110
where: short stacking energy: -67.708
Base-Backbone interact. energy: -0.736
local terms energy: -59.411762
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -11.509
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -5.557
tors. eta vs tors. theta energy: -16.048
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: 5
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -211.972984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.972984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.060836 (E_RNA)
where:
Base-Base interactions energy: -160.989
where: short stacking energy: -63.092
Base-Backbone interact. energy: -0.001
local terms energy: -51.070637
where:
bonds (distance) C4'-P energy: -9.453
bonds (distance) P-C4' energy: -11.048
flat angles C4'-P-C4' energy: -11.751
flat angles P-C4'-P energy: -2.401
tors. eta vs tors. theta energy: -16.417
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: 390
Temperature: 1.100000
Total energy: -206.490703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.490703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.490703 (E_RNA)
where:
Base-Base interactions energy: -140.921
where: short stacking energy: -51.600
Base-Backbone interact. energy: -0.006
local terms energy: -65.563427
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -16.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -213.151368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.151368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.151368 (E_RNA)
where:
Base-Base interactions energy: -152.308
where: short stacking energy: -66.003
Base-Backbone interact. energy: -0.630
local terms energy: -60.212872
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -5.405
tors. eta vs tors. theta energy: -18.317
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -212.258126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.258126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.258126 (E_RNA)
where:
Base-Base interactions energy: -145.105
where: short stacking energy: -63.826
Base-Backbone interact. energy: -0.226
local terms energy: -66.926814
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -11.069
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -17.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -199.342865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.342865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.342865 (E_RNA)
where:
Base-Base interactions energy: -142.976
where: short stacking energy: -57.412
Base-Backbone interact. energy: -0.001
local terms energy: -56.365752
where:
bonds (distance) C4'-P energy: -10.934
bonds (distance) P-C4' energy: -11.628
flat angles C4'-P-C4' energy: -11.968
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -12.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -194.621422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.621422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.784845 (E_RNA)
where:
Base-Base interactions energy: -136.482
where: short stacking energy: -54.937
Base-Backbone interact. energy: 0.722
local terms energy: -59.025274
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -12.150
flat angles C4'-P-C4' energy: -13.423
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -12.295
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: 4
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -172.320142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.320142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.882187 (E_RNA)
where:
Base-Base interactions energy: -120.153
where: short stacking energy: -49.148
Base-Backbone interact. energy: -1.225
local terms energy: -58.504682
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -10.967
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -13.599
Dist. restrs. and SS energy: 7.562 (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: 9
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -220.107688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.107688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.107688 (E_RNA)
where:
Base-Base interactions energy: -152.191
where: short stacking energy: -62.489
Base-Backbone interact. energy: -0.000
local terms energy: -67.916070
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -16.718
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: 1
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -235.065894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.065894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.065894 (E_RNA)
where:
Base-Base interactions energy: -172.138
where: short stacking energy: -71.032
Base-Backbone interact. energy: -0.076
local terms energy: -62.852044
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -10.680
flat angles C4'-P-C4' energy: -13.151
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -18.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -218.307051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.307051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.338094 (E_RNA)
where:
Base-Base interactions energy: -154.157
where: short stacking energy: -64.199
Base-Backbone interact. energy: -0.617
local terms energy: -63.564194
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -11.093
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -17.018
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: 4, replica: 2
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -216.804051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.804051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.804051 (E_RNA)
where:
Base-Base interactions energy: -147.203
where: short stacking energy: -63.429
Base-Backbone interact. energy: -0.006
local terms energy: -69.595635
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -12.510
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -18.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -233.552054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.552054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.740718 (E_RNA)
where:
Base-Base interactions energy: -168.785
where: short stacking energy: -72.408
Base-Backbone interact. energy: 0.955
local terms energy: -65.910178
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -4.407
tors. eta vs tors. theta energy: -17.762
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: 6, replica: 10
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -204.065334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.065334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.118498 (E_RNA)
where:
Base-Base interactions energy: -142.293
where: short stacking energy: -58.281
Base-Backbone interact. energy: -0.001
local terms energy: -61.824924
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -11.863
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -5.864
tors. eta vs tors. theta energy: -16.609
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: 391
Temperature: 1.200000
Total energy: -206.996082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.996082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.048555 (E_RNA)
where:
Base-Base interactions energy: -140.209
where: short stacking energy: -53.394
Base-Backbone interact. energy: -0.122
local terms energy: -66.717959
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -10.778
tors. eta vs tors. theta energy: -13.552
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: 6
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -193.129056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.129056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.240092 (E_RNA)
where:
Base-Base interactions energy: -136.433
where: short stacking energy: -50.327
Base-Backbone interact. energy: -0.023
local terms energy: -56.784483
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -15.059
flat angles C4'-P-C4' energy: -10.179
flat angles P-C4'-P energy: -8.166
tors. eta vs tors. theta energy: -11.836
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: 391
Temperature: 1.300000
Total energy: -190.709476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.709476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.709476 (E_RNA)
where:
Base-Base interactions energy: -127.471
where: short stacking energy: -48.913
Base-Backbone interact. energy: -0.691
local terms energy: -62.547499
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -12.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -172.504075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.504075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.382777 (E_RNA)
where:
Base-Base interactions energy: -128.522
where: short stacking energy: -54.302
Base-Backbone interact. energy: -0.001
local terms energy: -51.859401
where:
bonds (distance) C4'-P energy: -9.813
bonds (distance) P-C4' energy: -10.059
flat angles C4'-P-C4' energy: -9.305
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -13.349
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: 1, replica: 1
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -233.898113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.898113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.914264 (E_RNA)
where:
Base-Base interactions energy: -172.924
where: short stacking energy: -71.038
Base-Backbone interact. energy: -0.245
local terms energy: -60.745059
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -9.982
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -5.094
tors. eta vs tors. theta energy: -18.755
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: 9
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -211.600925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.600925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.668994 (E_RNA)
where:
Base-Base interactions energy: -141.526
where: short stacking energy: -57.002
Base-Backbone interact. energy: -0.157
local terms energy: -69.985553
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -17.812
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: 8
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -228.223339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.223339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.238454 (E_RNA)
where:
Base-Base interactions energy: -172.425
where: short stacking energy: -73.054
Base-Backbone interact. energy: -0.018
local terms energy: -55.795254
where:
bonds (distance) C4'-P energy: -8.608
bonds (distance) P-C4' energy: -13.101
flat angles C4'-P-C4' energy: -11.878
flat angles P-C4'-P energy: -4.587
tors. eta vs tors. theta energy: -17.620
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: 392
Temperature: 1.050000
Total energy: -207.737682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.737682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.737682 (E_RNA)
where:
Base-Base interactions energy: -144.590
where: short stacking energy: -55.229
Base-Backbone interact. energy: 0.093
local terms energy: -63.240149
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -12.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -211.447242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.447242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.541717 (E_RNA)
where:
Base-Base interactions energy: -152.964
where: short stacking energy: -60.398
Base-Backbone interact. energy: -0.001
local terms energy: -58.577296
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -12.421
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -6.209
tors. eta vs tors. theta energy: -11.674
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: 5
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -208.690895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.690895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.775646 (E_RNA)
where:
Base-Base interactions energy: -148.606
where: short stacking energy: -67.158
Base-Backbone interact. energy: 3.653
local terms energy: -63.822398
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -8.679
flat angles C4'-P-C4' energy: -15.972
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -16.620
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: 7, replica: 6
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -201.939847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.939847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.037836 (E_RNA)
where:
Base-Base interactions energy: -143.830
where: short stacking energy: -57.495
Base-Backbone interact. energy: -0.067
local terms energy: -58.140728
where:
bonds (distance) C4'-P energy: -10.121
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -4.078
tors. eta vs tors. theta energy: -17.912
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: 3
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -199.086031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.086031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.166744 (E_RNA)
where:
Base-Base interactions energy: -133.012
where: short stacking energy: -51.387
Base-Backbone interact. energy: -0.239
local terms energy: -65.915705
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -15.036
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: 4
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -176.221182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.221182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.816454 (E_RNA)
where:
Base-Base interactions energy: -132.495
where: short stacking energy: -62.229
Base-Backbone interact. energy: -0.003
local terms energy: -51.318734
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -4.742
flat angles C4'-P-C4' energy: -11.021
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -12.803
Dist. restrs. and SS energy: 7.595 (S_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: 392
Temperature: 1.350000
Total energy: -207.926492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.926492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.981821 (E_RNA)
where:
Base-Base interactions energy: -146.762
where: short stacking energy: -54.544
Base-Backbone interact. energy: -0.001
local terms energy: -61.218323
where:
bonds (distance) C4'-P energy: -10.194
bonds (distance) P-C4' energy: -11.890
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -8.801
tors. eta vs tors. theta energy: -16.602
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: 1
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -240.438760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.438760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.438760 (E_RNA)
where:
Base-Base interactions energy: -170.638
where: short stacking energy: -66.124
Base-Backbone interact. energy: -0.127
local terms energy: -69.674221
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -8.267
tors. eta vs tors. theta energy: -16.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -213.692596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.692596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.692596 (E_RNA)
where:
Base-Base interactions energy: -149.091
where: short stacking energy: -63.388
Base-Backbone interact. energy: -0.238
local terms energy: -64.363866
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -11.246
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -17.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -218.682224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.682224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.682224 (E_RNA)
where:
Base-Base interactions energy: -157.435
where: short stacking energy: -58.699
Base-Backbone interact. energy: -0.001
local terms energy: -61.245989
where:
bonds (distance) C4'-P energy: -10.128
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -15.795
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -219.889953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.889953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.963696 (E_RNA)
where:
Base-Base interactions energy: -158.142
where: short stacking energy: -63.334
Base-Backbone interact. energy: -0.041
local terms energy: -61.780217
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -5.330
tors. eta vs tors. theta energy: -15.403
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: 5, replica: 2
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -217.707432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.707432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.715979 (E_RNA)
where:
Base-Base interactions energy: -155.431
where: short stacking energy: -60.495
Base-Backbone interact. energy: 0.864
local terms energy: -63.148981
where:
bonds (distance) C4'-P energy: -11.912
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -12.464
flat angles P-C4'-P energy: -8.389
tors. eta vs tors. theta energy: -15.975
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: 393
Temperature: 1.150000
Total energy: -206.288868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.288868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.441961 (E_RNA)
where:
Base-Base interactions energy: -142.781
where: short stacking energy: -58.542
Base-Backbone interact. energy: -0.125
local terms energy: -63.535895
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -8.821
tors. eta vs tors. theta energy: -16.519
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: 7, replica: 5
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -199.959253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.959253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.044024 (E_RNA)
where:
Base-Base interactions energy: -143.220
where: short stacking energy: -57.105
Base-Backbone interact. energy: -0.050
local terms energy: -56.773282
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -12.732
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -4.933
tors. eta vs tors. theta energy: -13.555
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: 8, replica: 4
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -180.212853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.212853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.801618 (E_RNA)
where:
Base-Base interactions energy: -123.289
where: short stacking energy: -50.378
Base-Backbone interact. energy: -0.620
local terms energy: -66.893154
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -10.080
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -17.456
Dist. restrs. and SS energy: 10.589 (S_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: 393
Temperature: 1.300000
Total energy: -193.934602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.934602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.944491 (E_RNA)
where:
Base-Base interactions energy: -141.573
where: short stacking energy: -58.274
Base-Backbone interact. energy: -0.054
local terms energy: -52.317470
where:
bonds (distance) C4'-P energy: -9.213
bonds (distance) P-C4' energy: -12.809
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -3.082
tors. eta vs tors. theta energy: -14.522
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: 7
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -190.946133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.946133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.185604 (E_RNA)
where:
Base-Base interactions energy: -128.602
where: short stacking energy: -49.060
Base-Backbone interact. energy: -0.044
local terms energy: -62.540475
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -12.303
flat angles P-C4'-P energy: -6.806
tors. eta vs tors. theta energy: -14.793
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: 1, replica: 8
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -215.669835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.669835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.715710 (E_RNA)
where:
Base-Base interactions energy: -148.753
where: short stacking energy: -60.198
Base-Backbone interact. energy: -0.001
local terms energy: -66.961886
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -10.373
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -12.792
tors. eta vs tors. theta energy: -14.844
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: 1
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -232.012420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.012420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.194057 (E_RNA)
where:
Base-Base interactions energy: -171.330
where: short stacking energy: -67.614
Base-Backbone interact. energy: -0.029
local terms energy: -60.835614
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -10.770
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -5.700
tors. eta vs tors. theta energy: -17.322
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: 3, replica: 10
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -211.191256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.191256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.194706 (E_RNA)
where:
Base-Base interactions energy: -143.226
where: short stacking energy: -57.765
Base-Backbone interact. energy: -0.676
local terms energy: -67.293436
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -13.692
flat angles C4'-P-C4' energy: -11.054
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: -17.910
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: 9
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -207.611586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.611586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.649918 (E_RNA)
where:
Base-Base interactions energy: -145.396
where: short stacking energy: -64.167
Base-Backbone interact. energy: -0.003
local terms energy: -62.250884
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -12.219
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -13.735
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: 394
Temperature: 1.100000
Total energy: -218.764664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.764664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.772187 (E_RNA)
where:
Base-Base interactions energy: -159.840
where: short stacking energy: -59.393
Base-Backbone interact. energy: -0.862
local terms energy: -58.070965
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -7.783
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -6.523
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: 6, replica: 2
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -206.067030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.067030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.097446 (E_RNA)
where:
Base-Base interactions energy: -143.826
where: short stacking energy: -61.691
Base-Backbone interact. energy: -0.042
local terms energy: -62.229800
where:
bonds (distance) C4'-P energy: -10.854
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -16.044
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: 4
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -188.826969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.826969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.599182 (E_RNA)
where:
Base-Base interactions energy: -130.286
where: short stacking energy: -57.343
Base-Backbone interact. energy: -0.022
local terms energy: -66.291666
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -13.834
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: -16.327
Dist. restrs. and SS energy: 7.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -202.213739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.213739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.385214 (E_RNA)
where:
Base-Base interactions energy: -138.551
where: short stacking energy: -59.081
Base-Backbone interact. energy: -0.014
local terms energy: -63.820407
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -10.072
flat angles C4'-P-C4' energy: -14.801
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -17.571
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: 9, replica: 7
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -194.029263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.029263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.029263 (E_RNA)
where:
Base-Base interactions energy: -142.631
where: short stacking energy: -55.793
Base-Backbone interact. energy: -0.001
local terms energy: -51.397190
where:
bonds (distance) C4'-P energy: -10.170
bonds (distance) P-C4' energy: -11.905
flat angles C4'-P-C4' energy: -11.136
flat angles P-C4'-P energy: -5.311
tors. eta vs tors. theta energy: -12.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -194.701518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.701518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.107484 (E_RNA)
where:
Base-Base interactions energy: -141.549
where: short stacking energy: -58.284
Base-Backbone interact. energy: -0.027
local terms energy: -53.530823
where:
bonds (distance) C4'-P energy: -8.050
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -11.744
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -13.695
Dist. restrs. and SS energy: 0.406 (S_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: -220.961939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.961939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.970899 (E_RNA)
where:
Base-Base interactions energy: -151.884
where: short stacking energy: -60.704
Base-Backbone interact. energy: -0.058
local terms energy: -69.028828
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -18.528
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: 395
Temperature: 0.950000
Total energy: -229.859068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.859068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.859068 (E_RNA)
where:
Base-Base interactions energy: -165.515
where: short stacking energy: -65.113
Base-Backbone interact. energy: -0.021
local terms energy: -64.322463
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -6.949
tors. eta vs tors. theta energy: -16.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -207.967919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.967919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.090654 (E_RNA)
where:
Base-Base interactions energy: -146.687
where: short stacking energy: -59.408
Base-Backbone interact. energy: -0.011
local terms energy: -61.392148
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -10.788
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -15.716
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: 6
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -212.097584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.097584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.097584 (E_RNA)
where:
Base-Base interactions energy: -146.180
where: short stacking energy: -54.366
Base-Backbone interact. energy: -0.019
local terms energy: -65.899062
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -13.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -217.180413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.180413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.227372 (E_RNA)
where:
Base-Base interactions energy: -152.216
where: short stacking energy: -65.051
Base-Backbone interact. energy: -0.012
local terms energy: -64.999858
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -12.786
flat angles C4'-P-C4' energy: -11.327
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -17.210
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: 2
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -207.425609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.425609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.425609 (E_RNA)
where:
Base-Base interactions energy: -146.412
where: short stacking energy: -62.116
Base-Backbone interact. energy: -0.244
local terms energy: -60.769805
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -10.254
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -8.968
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: 7, replica: 4
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -191.624852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.624852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.933928 (E_RNA)
where:
Base-Base interactions energy: -130.525
where: short stacking energy: -57.324
Base-Backbone interact. energy: -0.037
local terms energy: -69.371903
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -14.137
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -16.178
Dist. restrs. and SS energy: 8.309 (S_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: 395
Temperature: 1.250000
Total energy: -198.857162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.857162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.901497 (E_RNA)
where:
Base-Base interactions energy: -143.434
where: short stacking energy: -58.082
Base-Backbone interact. energy: -0.037
local terms energy: -55.430403
where:
bonds (distance) C4'-P energy: -10.241
bonds (distance) P-C4' energy: -11.629
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -6.933
tors. eta vs tors. theta energy: -13.572
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: 5
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -193.770381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.770381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.813515 (E_RNA)
where:
Base-Base interactions energy: -131.791
where: short stacking energy: -48.473
Base-Backbone interact. energy: -0.013
local terms energy: -62.009745
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -8.682
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -16.950
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: 3
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -195.532035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.532035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.612137 (E_RNA)
where:
Base-Base interactions energy: -140.402
where: short stacking energy: -52.980
Base-Backbone interact. energy: -0.269
local terms energy: -54.940717
where:
bonds (distance) C4'-P energy: -4.779
bonds (distance) P-C4' energy: -9.982
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -6.166
tors. eta vs tors. theta energy: -18.309
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: 1, replica: 1
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -240.059592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.059592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.059592 (E_RNA)
where:
Base-Base interactions energy: -175.940
where: short stacking energy: -71.186
Base-Backbone interact. energy: -0.095
local terms energy: -64.024779
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -5.461
tors. eta vs tors. theta energy: -17.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -211.323150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.323150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.435555 (E_RNA)
where:
Base-Base interactions energy: -145.149
where: short stacking energy: -59.895
Base-Backbone interact. energy: -0.022
local terms energy: -66.264848
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -9.214
tors. eta vs tors. theta energy: -16.106
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: 10
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -213.824262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.824262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.878633 (E_RNA)
where:
Base-Base interactions energy: -150.150
where: short stacking energy: -62.266
Base-Backbone interact. energy: -0.001
local terms energy: -63.727720
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -13.376
flat angles C4'-P-C4' energy: -11.405
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -17.035
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: 396
Temperature: 1.050000
Total energy: -217.025370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.025370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.045824 (E_RNA)
where:
Base-Base interactions energy: -154.648
where: short stacking energy: -67.288
Base-Backbone interact. energy: 0.038
local terms energy: -62.436013
where:
bonds (distance) C4'-P energy: -10.426
bonds (distance) P-C4' energy: -11.508
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -16.391
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: 2
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -207.876358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.876358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.884491 (E_RNA)
where:
Base-Base interactions energy: -145.352
where: short stacking energy: -57.882
Base-Backbone interact. energy: -0.006
local terms energy: -62.526271
where:
bonds (distance) C4'-P energy: -10.256
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -12.127
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -16.029
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: 396
Temperature: 1.150000
Total energy: -202.762203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.762203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.762203 (E_RNA)
where:
Base-Base interactions energy: -143.658
where: short stacking energy: -59.225
Base-Backbone interact. energy: -0.004
local terms energy: -59.100116
where:
bonds (distance) C4'-P energy: -10.327
bonds (distance) P-C4' energy: -10.268
flat angles C4'-P-C4' energy: -12.772
flat angles P-C4'-P energy: -9.297
tors. eta vs tors. theta energy: -16.435
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -198.038861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.038861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.117539 (E_RNA)
where:
Base-Base interactions energy: -148.555
where: short stacking energy: -59.438
Base-Backbone interact. energy: -0.575
local terms energy: -48.987357
where:
bonds (distance) C4'-P energy: -5.350
bonds (distance) P-C4' energy: -11.256
flat angles C4'-P-C4' energy: -11.434
flat angles P-C4'-P energy: -5.843
tors. eta vs tors. theta energy: -15.105
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: 4
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -186.226975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.226975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.971881 (E_RNA)
where:
Base-Base interactions energy: -134.843
where: short stacking energy: -61.175
Base-Backbone interact. energy: -0.584
local terms energy: -58.544998
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -10.925
flat angles C4'-P-C4' energy: -11.597
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: -14.716
Dist. restrs. and SS energy: 7.745 (S_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: 396
Temperature: 1.300000
Total energy: -199.243006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.243006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.725219 (E_RNA)
where:
Base-Base interactions energy: -135.124
where: short stacking energy: -51.857
Base-Backbone interact. energy: -0.120
local terms energy: -64.481716
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -14.808
Dist. restrs. and SS energy: 0.482 (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: 5
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -190.884953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.884953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.927726 (E_RNA)
where:
Base-Base interactions energy: -127.673
where: short stacking energy: -48.837
Base-Backbone interact. energy: -0.292
local terms energy: -62.962245
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -9.971
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: -16.782
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: 1
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -239.957441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.957441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.033829 (E_RNA)
where:
Base-Base interactions energy: -176.879
where: short stacking energy: -72.753
Base-Backbone interact. energy: -0.045
local terms energy: -63.110227
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -3.055
tors. eta vs tors. theta energy: -16.678
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: 10
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -226.130231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.130231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.499197 (E_RNA)
where:
Base-Base interactions energy: -164.693
where: short stacking energy: -67.891
Base-Backbone interact. energy: -0.004
local terms energy: -61.802027
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -6.035
tors. eta vs tors. theta energy: -17.260
Dist. restrs. and SS energy: 0.369 (S_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: -223.579820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.579820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.652188 (E_RNA)
where:
Base-Base interactions energy: -162.621
where: short stacking energy: -66.733
Base-Backbone interact. energy: -0.041
local terms energy: -60.990748
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -13.132
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -4.599
tors. eta vs tors. theta energy: -16.523
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: 397
Temperature: 1.050000
Total energy: -213.969797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.969797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.969797 (E_RNA)
where:
Base-Base interactions energy: -155.010
where: short stacking energy: -63.954
Base-Backbone interact. energy: -0.081
local terms energy: -58.878731
where:
bonds (distance) C4'-P energy: -9.586
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -10.867
flat angles P-C4'-P energy: -7.920
tors. eta vs tors. theta energy: -15.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -211.680712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.680712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.707736 (E_RNA)
where:
Base-Base interactions energy: -150.075
where: short stacking energy: -59.872
Base-Backbone interact. energy: -0.242
local terms energy: -61.390461
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -14.224
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -3.628
tors. eta vs tors. theta energy: -16.938
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: 397
Temperature: 1.150000
Total energy: -212.368480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.368480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.430975 (E_RNA)
where:
Base-Base interactions energy: -156.168
where: short stacking energy: -60.117
Base-Backbone interact. energy: -0.001
local terms energy: -56.262247
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -11.023
flat angles P-C4'-P energy: -2.514
tors. eta vs tors. theta energy: -13.423
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: 397
Temperature: 1.200000
Total energy: -206.832721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.832721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.879500 (E_RNA)
where:
Base-Base interactions energy: -157.339
where: short stacking energy: -63.280
Base-Backbone interact. energy: -0.031
local terms energy: -49.509678
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -3.438
flat angles C4'-P-C4' energy: -10.709
flat angles P-C4'-P energy: -6.763
tors. eta vs tors. theta energy: -16.661
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: 3
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -196.599306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.599306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.668143 (E_RNA)
where:
Base-Base interactions energy: -133.873
where: short stacking energy: -52.990
Base-Backbone interact. energy: -0.099
local terms energy: -62.696323
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -11.436
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -16.086
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: 397
Temperature: 1.300000
Total energy: -172.996253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.996253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.605067 (E_RNA)
where:
Base-Base interactions energy: -124.630
where: short stacking energy: -48.597
Base-Backbone interact. energy: -0.124
local terms energy: -55.851835
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -10.292
flat angles C4'-P-C4' energy: -12.111
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -11.902
Dist. restrs. and SS energy: 7.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -197.333808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.333808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.411653 (E_RNA)
where:
Base-Base interactions energy: -137.989
where: short stacking energy: -48.763
Base-Backbone interact. energy: -0.646
local terms energy: -58.775964
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.880
flat angles P-C4'-P energy: -8.218
tors. eta vs tors. theta energy: -10.911
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: 1, replica: 1
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -236.517412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.517412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.666005 (E_RNA)
where:
Base-Base interactions energy: -173.464
where: short stacking energy: -75.023
Base-Backbone interact. energy: -0.063
local terms energy: -63.138758
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -12.216
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -5.424
tors. eta vs tors. theta energy: -15.603
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: 2, replica: 10
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -215.566412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.566412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.684982 (E_RNA)
where:
Base-Base interactions energy: -154.686
where: short stacking energy: -63.305
Base-Backbone interact. energy: -0.018
local terms energy: -60.981318
where:
bonds (distance) C4'-P energy: -9.522
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -9.526
tors. eta vs tors. theta energy: -12.428
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: 6
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -206.749022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.749022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.845706 (E_RNA)
where:
Base-Base interactions energy: -143.184
where: short stacking energy: -57.391
Base-Backbone interact. energy: -0.005
local terms energy: -63.657350
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -6.943
tors. eta vs tors. theta energy: -13.097
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: 8
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -212.946943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.946943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.006427 (E_RNA)
where:
Base-Base interactions energy: -147.150
where: short stacking energy: -59.146
Base-Backbone interact. energy: -0.041
local terms energy: -65.815141
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -14.649
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: 7
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -206.738964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.738964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.868027 (E_RNA)
where:
Base-Base interactions energy: -148.586
where: short stacking energy: -54.692
Base-Backbone interact. energy: -0.105
local terms energy: -58.176852
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -10.924
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -11.720
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: 6, replica: 2
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -205.760131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.760131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.918764 (E_RNA)
where:
Base-Base interactions energy: -138.303
where: short stacking energy: -57.294
Base-Backbone interact. energy: -0.172
local terms energy: -67.442912
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -8.433
tors. eta vs tors. theta energy: -17.557
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: 7, replica: 3
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -205.291440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.291440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.534820 (E_RNA)
where:
Base-Base interactions energy: -139.695
where: short stacking energy: -62.882
Base-Backbone interact. energy: -0.000
local terms energy: -65.839852
where:
bonds (distance) C4'-P energy: -9.088
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -14.177
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: 8, replica: 9
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -204.284386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.284386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.562779 (E_RNA)
where:
Base-Base interactions energy: -142.327
where: short stacking energy: -53.818
Base-Backbone interact. energy: -0.276
local terms energy: -61.960019
where:
bonds (distance) C4'-P energy: -10.927
bonds (distance) P-C4' energy: -12.580
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -14.247
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: 9, replica: 5
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -190.831272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.831272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.906302 (E_RNA)
where:
Base-Base interactions energy: -134.846
where: short stacking energy: -49.378
Base-Backbone interact. energy: -0.061
local terms energy: -55.999197
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -6.577
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -15.081
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: 398
Temperature: 1.350000
Total energy: -175.574864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.574864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.859927 (E_RNA)
where:
Base-Base interactions energy: -123.554
where: short stacking energy: -50.382
Base-Backbone interact. energy: -0.958
local terms energy: -59.347804
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -8.639
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -13.357
Dist. restrs. and SS energy: 8.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -226.891697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.891697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.903744 (E_RNA)
where:
Base-Base interactions energy: -163.234
where: short stacking energy: -62.296
Base-Backbone interact. energy: -0.043
local terms energy: -63.625997
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -11.669
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: 2, replica: 10
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -213.755499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.755499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.755499 (E_RNA)
where:
Base-Base interactions energy: -145.603
where: short stacking energy: -56.947
Base-Backbone interact. energy: -0.002
local terms energy: -68.149950
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -13.365
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -15.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -213.581426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.581426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.588447 (E_RNA)
where:
Base-Base interactions energy: -158.609
where: short stacking energy: -58.204
Base-Backbone interact. energy: -0.018
local terms energy: -54.961351
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -0.883
tors. eta vs tors. theta energy: -15.166
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: 8
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -215.593520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.593520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.676532 (E_RNA)
where:
Base-Base interactions energy: -159.812
where: short stacking energy: -66.073
Base-Backbone interact. energy: -0.280
local terms energy: -55.584105
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -2.798
tors. eta vs tors. theta energy: -12.796
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: 7
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -208.871240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.871240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.873127 (E_RNA)
where:
Base-Base interactions energy: -146.830
where: short stacking energy: -59.119
Base-Backbone interact. energy: -0.010
local terms energy: -62.033394
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -10.235
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: -17.115
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: 2
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -204.284187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.284187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.379208 (E_RNA)
where:
Base-Base interactions energy: -148.158
where: short stacking energy: -62.020
Base-Backbone interact. energy: -0.045
local terms energy: -56.176219
where:
bonds (distance) C4'-P energy: -11.493
bonds (distance) P-C4' energy: -10.880
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -5.590
tors. eta vs tors. theta energy: -13.001
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: 3
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -198.779240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.779240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.997813 (E_RNA)
where:
Base-Base interactions energy: -138.682
where: short stacking energy: -58.951
Base-Backbone interact. energy: -0.240
local terms energy: -60.076364
where:
bonds (distance) C4'-P energy: -12.955
bonds (distance) P-C4' energy: -10.880
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -13.826
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: 8, replica: 5
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -199.249182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.249182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.453585 (E_RNA)
where:
Base-Base interactions energy: -142.654
where: short stacking energy: -57.078
Base-Backbone interact. energy: -0.002
local terms energy: -56.797516
where:
bonds (distance) C4'-P energy: -9.072
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -9.778
flat angles P-C4'-P energy: -8.516
tors. eta vs tors. theta energy: -15.617
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: 9, replica: 9
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -192.174800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.174800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.180396 (E_RNA)
where:
Base-Base interactions energy: -141.679
where: short stacking energy: -56.950
Base-Backbone interact. energy: -0.042
local terms energy: -50.458993
where:
bonds (distance) C4'-P energy: -10.646
bonds (distance) P-C4' energy: -11.073
flat angles C4'-P-C4' energy: -7.907
flat angles P-C4'-P energy: -5.106
tors. eta vs tors. theta energy: -15.727
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: 10, replica: 4
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -168.370197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.370197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.612980 (E_RNA)
where:
Base-Base interactions energy: -116.600
where: short stacking energy: -46.050
Base-Backbone interact. energy: -1.849
local terms energy: -57.164609
where:
bonds (distance) C4'-P energy: -10.654
bonds (distance) P-C4' energy: -10.755
flat angles C4'-P-C4' energy: -10.685
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -13.991
Dist. restrs. and SS energy: 7.243 (S_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: 400
Temperature: 0.900000
Total energy: -235.016643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.016643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.016643 (E_RNA)
where:
Base-Base interactions energy: -174.824
where: short stacking energy: -70.129
Base-Backbone interact. energy: -0.893
local terms energy: -59.300227
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -12.245
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -6.655
tors. eta vs tors. theta energy: -15.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -212.027304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.027304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.046980 (E_RNA)
where:
Base-Base interactions energy: -144.917
where: short stacking energy: -57.605
Base-Backbone interact. energy: 0.263
local terms energy: -67.392545
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -15.520
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: 8
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -212.457739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.457739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.504632 (E_RNA)
where:
Base-Base interactions energy: -143.187
where: short stacking energy: -57.495
Base-Backbone interact. energy: -0.082
local terms energy: -69.235920
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: -15.147
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: 6
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -201.829412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.829412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.850798 (E_RNA)
where:
Base-Base interactions energy: -141.446
where: short stacking energy: -52.096
Base-Backbone interact. energy: 0.534
local terms energy: -60.938792
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: -11.609
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: 2
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -217.877364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.877364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.877364 (E_RNA)
where:
Base-Base interactions energy: -167.463
where: short stacking energy: -68.586
Base-Backbone interact. energy: -0.002
local terms energy: -50.412325
where:
bonds (distance) C4'-P energy: -8.162
bonds (distance) P-C4' energy: -12.474
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -0.054
tors. eta vs tors. theta energy: -16.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -211.589716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.589716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.682328 (E_RNA)
where:
Base-Base interactions energy: -149.494
where: short stacking energy: -61.537
Base-Backbone interact. energy: -0.002
local terms energy: -62.186494
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -11.249
flat angles C4'-P-C4' energy: -11.789
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -16.426
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: 5
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -198.976465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.976465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.286183 (E_RNA)
where:
Base-Base interactions energy: -145.808
where: short stacking energy: -61.369
Base-Backbone interact. energy: -0.223
local terms energy: -53.254936
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -6.197
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -6.287
tors. eta vs tors. theta energy: -15.707
Dist. restrs. and SS energy: 0.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -199.837335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.837335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.983476 (E_RNA)
where:
Base-Base interactions energy: -144.426
where: short stacking energy: -58.021
Base-Backbone interact. energy: -0.174
local terms energy: -55.383145
where:
bonds (distance) C4'-P energy: -9.386
bonds (distance) P-C4' energy: -9.668
flat angles C4'-P-C4' energy: -12.095
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -15.275
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: 9, replica: 4
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -174.072552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.072552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.182827 (E_RNA)
where:
Base-Base interactions energy: -127.249
where: short stacking energy: -51.741
Base-Backbone interact. energy: -0.006
local terms energy: -53.927662
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -6.348
flat angles C4'-P-C4' energy: -11.021
flat angles P-C4'-P energy: -7.249
tors. eta vs tors. theta energy: -16.246
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: 10, replica: 9
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -190.384032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.384032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.490393 (E_RNA)
where:
Base-Base interactions energy: -129.243
where: short stacking energy: -56.231
Base-Backbone interact. energy: -0.026
local terms energy: -61.221132
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -6.481
tors. eta vs tors. theta energy: -15.550
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: 1
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -238.825426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.825426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.869683 (E_RNA)
where:
Base-Base interactions energy: -175.712
where: short stacking energy: -68.669
Base-Backbone interact. energy: -0.027
local terms energy: -63.131575
where:
bonds (distance) C4'-P energy: -10.269
bonds (distance) P-C4' energy: -13.228
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -7.401
tors. eta vs tors. theta energy: -18.371
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: 10
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -217.581579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.581579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.674935 (E_RNA)
where:
Base-Base interactions energy: -148.498
where: short stacking energy: -61.936
Base-Backbone interact. energy: -0.000
local terms energy: -69.177160
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -17.488
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: 8
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -209.659382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.659382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.679436 (E_RNA)
where:
Base-Base interactions energy: -157.065
where: short stacking energy: -60.513
Base-Backbone interact. energy: -0.023
local terms energy: -52.591879
where:
bonds (distance) C4'-P energy: -8.538
bonds (distance) P-C4' energy: -11.387
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -2.853
tors. eta vs tors. theta energy: -15.838
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: 401
Temperature: 1.050000
Total energy: -218.264558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.264558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.288563 (E_RNA)
where:
Base-Base interactions energy: -155.177
where: short stacking energy: -56.910
Base-Backbone interact. energy: -0.293
local terms energy: -62.818007
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -12.474
flat angles P-C4'-P energy: -5.916
tors. eta vs tors. theta energy: -17.073
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: 401
Temperature: 1.100000
Total energy: -225.792680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.792680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.818819 (E_RNA)
where:
Base-Base interactions energy: -161.519
where: short stacking energy: -64.095
Base-Backbone interact. energy: 0.015
local terms energy: -64.314919
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -3.969
tors. eta vs tors. theta energy: -19.205
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: 401
Temperature: 1.150000
Total energy: -196.220766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.220766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.652445 (E_RNA)
where:
Base-Base interactions energy: -133.270
where: short stacking energy: -56.106
Base-Backbone interact. energy: -0.006
local terms energy: -63.376668
where:
bonds (distance) C4'-P energy: -10.974
bonds (distance) P-C4' energy: -11.995
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: -16.845
Dist. restrs. and SS energy: 0.432 (S_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: 401
Temperature: 1.200000
Total energy: -201.636020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.636020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.636020 (E_RNA)
where:
Base-Base interactions energy: -133.797
where: short stacking energy: -57.291
Base-Backbone interact. energy: -0.001
local terms energy: -67.837558
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -17.215
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: 8, replica: 4
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -176.197029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.197029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.122349 (E_RNA)
where:
Base-Base interactions energy: -127.102
where: short stacking energy: -50.584
Base-Backbone interact. energy: 1.234
local terms energy: -57.254311
where:
bonds (distance) C4'-P energy: -8.902
bonds (distance) P-C4' energy: -13.146
flat angles C4'-P-C4' energy: -11.696
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -14.555
Dist. restrs. and SS energy: 6.925 (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: 3
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -200.236908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.236908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.484208 (E_RNA)
where:
Base-Base interactions energy: -138.824
where: short stacking energy: -53.422
Base-Backbone interact. energy: -0.000
local terms energy: -61.659958
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -6.574
tors. eta vs tors. theta energy: -16.002
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: 10, replica: 9
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -198.222356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.222356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.281140 (E_RNA)
where:
Base-Base interactions energy: -143.519
where: short stacking energy: -54.579
Base-Backbone interact. energy: -0.084
local terms energy: -54.678177
where:
bonds (distance) C4'-P energy: -9.038
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -11.205
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: 10
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -228.558584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.558584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.568500 (E_RNA)
where:
Base-Base interactions energy: -159.940
where: short stacking energy: -60.925
Base-Backbone interact. energy: -0.028
local terms energy: -68.600707
where:
bonds (distance) C4'-P energy: -14.672
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -7.499
tors. eta vs tors. theta energy: -17.414
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: 1
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -235.874953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.874953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.874953 (E_RNA)
where:
Base-Base interactions energy: -169.213
where: short stacking energy: -69.227
Base-Backbone interact. energy: -0.009
local terms energy: -66.652389
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -17.060
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: 3, replica: 2
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -219.207888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.207888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.224438 (E_RNA)
where:
Base-Base interactions energy: -151.732
where: short stacking energy: -61.937
Base-Backbone interact. energy: -1.023
local terms energy: -66.470096
where:
bonds (distance) C4'-P energy: -10.707
bonds (distance) P-C4' energy: -12.866
flat angles C4'-P-C4' energy: -16.019
flat angles P-C4'-P energy: -11.855
tors. eta vs tors. theta energy: -15.024
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: 402
Temperature: 1.050000
Total energy: -209.303030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.303030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.351815 (E_RNA)
where:
Base-Base interactions energy: -145.517
where: short stacking energy: -62.321
Base-Backbone interact. energy: -0.095
local terms energy: -63.739861
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -13.556
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -14.725
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: 5
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -204.506438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.506438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.557116 (E_RNA)
where:
Base-Base interactions energy: -143.688
where: short stacking energy: -58.109
Base-Backbone interact. energy: -0.174
local terms energy: -60.695827
where:
bonds (distance) C4'-P energy: -11.443
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -12.631
flat angles P-C4'-P energy: -8.321
tors. eta vs tors. theta energy: -13.092
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: 402
Temperature: 1.150000
Total energy: -203.139296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.139296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.139296 (E_RNA)
where:
Base-Base interactions energy: -139.144
where: short stacking energy: -54.071
Base-Backbone interact. energy: -0.054
local terms energy: -63.941283
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -17.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -202.131810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.131810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.210065 (E_RNA)
where:
Base-Base interactions energy: -154.447
where: short stacking energy: -54.234
Base-Backbone interact. energy: -0.114
local terms energy: -47.649561
where:
bonds (distance) C4'-P energy: -4.938
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -11.032
flat angles P-C4'-P energy: -6.429
tors. eta vs tors. theta energy: -12.373
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: 4
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -179.317515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.317515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.906087 (E_RNA)
where:
Base-Base interactions energy: -127.859
where: short stacking energy: -58.809
Base-Backbone interact. energy: -0.252
local terms energy: -59.794995
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -10.634
flat angles P-C4'-P energy: -5.136
tors. eta vs tors. theta energy: -16.156
Dist. restrs. and SS energy: 8.589 (S_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: 402
Temperature: 1.300000
Total energy: -204.360727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.360727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.436478 (E_RNA)
where:
Base-Base interactions energy: -146.940
where: short stacking energy: -58.006
Base-Backbone interact. energy: -0.336
local terms energy: -57.160619
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -8.781
flat angles P-C4'-P energy: -6.213
tors. eta vs tors. theta energy: -16.847
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: 9
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -200.316071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.316071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.323211 (E_RNA)
where:
Base-Base interactions energy: -138.381
where: short stacking energy: -50.174
Base-Backbone interact. energy: -0.251
local terms energy: -61.691447
where:
bonds (distance) C4'-P energy: -11.646
bonds (distance) P-C4' energy: -11.018
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -7.504
tors. eta vs tors. theta energy: -16.227
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: 1, replica: 10
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -220.698610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.698610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.760208 (E_RNA)
where:
Base-Base interactions energy: -160.515
where: short stacking energy: -63.887
Base-Backbone interact. energy: 0.157
local terms energy: -60.402233
where:
bonds (distance) C4'-P energy: -8.377
bonds (distance) P-C4' energy: -14.572
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: -16.151
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: 1
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -237.076731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.076731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.178120 (E_RNA)
where:
Base-Base interactions energy: -169.004
where: short stacking energy: -64.842
Base-Backbone interact. energy: -0.046
local terms energy: -68.128934
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -8.798
tors. eta vs tors. theta energy: -19.303
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: 2
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -228.509371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.509371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.534708 (E_RNA)
where:
Base-Base interactions energy: -160.253
where: short stacking energy: -59.244
Base-Backbone interact. energy: -0.035
local terms energy: -68.247380
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -5.199
tors. eta vs tors. theta energy: -18.182
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: 5
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -212.304607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.304607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.400531 (E_RNA)
where:
Base-Base interactions energy: -148.271
where: short stacking energy: -57.221
Base-Backbone interact. energy: -0.315
local terms energy: -63.815001
where:
bonds (distance) C4'-P energy: -9.479
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -17.521
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: 8
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -213.494656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.494656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.579662 (E_RNA)
where:
Base-Base interactions energy: -150.450
where: short stacking energy: -58.050
Base-Backbone interact. energy: -0.007
local terms energy: -63.122582
where:
bonds (distance) C4'-P energy: -9.664
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -6.460
tors. eta vs tors. theta energy: -18.095
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: 6, replica: 7
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -209.036429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.036429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.166972 (E_RNA)
where:
Base-Base interactions energy: -146.014
where: short stacking energy: -64.548
Base-Backbone interact. energy: -0.413
local terms energy: -62.739846
where:
bonds (distance) C4'-P energy: -10.237
bonds (distance) P-C4' energy: -10.917
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -18.778
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: 6
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -198.514585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.514585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.562297 (E_RNA)
where:
Base-Base interactions energy: -138.770
where: short stacking energy: -57.185
Base-Backbone interact. energy: -0.580
local terms energy: -59.211852
where:
bonds (distance) C4'-P energy: -8.713
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -13.237
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: 8, replica: 3
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -204.521971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.521971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.554333 (E_RNA)
where:
Base-Base interactions energy: -145.443
where: short stacking energy: -59.259
Base-Backbone interact. energy: -0.013
local terms energy: -59.098378
where:
bonds (distance) C4'-P energy: -8.508
bonds (distance) P-C4' energy: -10.974
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -14.833
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: 4
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -179.147866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.147866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.962377 (E_RNA)
where:
Base-Base interactions energy: -130.143
where: short stacking energy: -54.480
Base-Backbone interact. energy: -0.039
local terms energy: -56.780178
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -10.743
flat angles P-C4'-P energy: -7.289
tors. eta vs tors. theta energy: -14.769
Dist. restrs. and SS energy: 7.815 (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: 9
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -197.727841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.727841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.790509 (E_RNA)
where:
Base-Base interactions energy: -142.573
where: short stacking energy: -58.926
Base-Backbone interact. energy: -0.000
local terms energy: -55.217702
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -4.849
tors. eta vs tors. theta energy: -10.954
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: 1, replica: 1
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -241.697046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.697046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.699455 (E_RNA)
where:
Base-Base interactions energy: -174.304
where: short stacking energy: -69.700
Base-Backbone interact. energy: -0.001
local terms energy: -67.394720
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -7.495
tors. eta vs tors. theta energy: -17.550
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: 10
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -224.971392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.971392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.982422 (E_RNA)
where:
Base-Base interactions energy: -165.156
where: short stacking energy: -65.211
Base-Backbone interact. energy: -0.044
local terms energy: -59.782804
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -10.977
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -6.079
tors. eta vs tors. theta energy: -15.377
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: 5
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -216.177737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.177737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.197133 (E_RNA)
where:
Base-Base interactions energy: -146.448
where: short stacking energy: -59.495
Base-Backbone interact. energy: -0.001
local terms energy: -69.748149
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -11.649
flat angles P-C4'-P energy: -12.123
tors. eta vs tors. theta energy: -17.489
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: 2
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -218.518650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.518650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.584842 (E_RNA)
where:
Base-Base interactions energy: -159.969
where: short stacking energy: -60.040
Base-Backbone interact. energy: -0.004
local terms energy: -58.611768
where:
bonds (distance) C4'-P energy: -7.303
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -5.359
tors. eta vs tors. theta energy: -17.889
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: 404
Temperature: 1.100000
Total energy: -204.288409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.288409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.295566 (E_RNA)
where:
Base-Base interactions energy: -143.020
where: short stacking energy: -58.800
Base-Backbone interact. energy: 0.389
local terms energy: -61.664549
where:
bonds (distance) C4'-P energy: -11.088
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -7.389
tors. eta vs tors. theta energy: -16.369
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: 404
Temperature: 1.150000
Total energy: -200.211296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.211296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.245768 (E_RNA)
where:
Base-Base interactions energy: -143.974
where: short stacking energy: -56.539
Base-Backbone interact. energy: -0.120
local terms energy: -56.151712
where:
bonds (distance) C4'-P energy: -7.166
bonds (distance) P-C4' energy: -13.677
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -7.935
tors. eta vs tors. theta energy: -13.902
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: 3
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -200.632989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.632989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.817485 (E_RNA)
where:
Base-Base interactions energy: -138.931
where: short stacking energy: -58.592
Base-Backbone interact. energy: -0.013
local terms energy: -61.873630
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -11.278
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -15.278
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: 8, replica: 6
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -200.403790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.403790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.489841 (E_RNA)
where:
Base-Base interactions energy: -142.078
where: short stacking energy: -60.647
Base-Backbone interact. energy: -0.004
local terms energy: -58.407191
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -5.943
tors. eta vs tors. theta energy: -11.522
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: 9, replica: 9
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -199.036739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.036739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.069339 (E_RNA)
where:
Base-Base interactions energy: -137.769
where: short stacking energy: -57.793
Base-Backbone interact. energy: -0.166
local terms energy: -61.134818
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: -7.685
tors. eta vs tors. theta energy: -17.420
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: 404
Temperature: 1.350000
Total energy: -182.261935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.261935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.704707 (E_RNA)
where:
Base-Base interactions energy: -137.152
where: short stacking energy: -61.812
Base-Backbone interact. energy: -0.010
local terms energy: -51.542034
where:
bonds (distance) C4'-P energy: -9.379
bonds (distance) P-C4' energy: -7.753
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -5.669
tors. eta vs tors. theta energy: -15.694
Dist. restrs. and SS energy: 6.443 (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: 405
Temperature: 0.900000
Total energy: -230.386240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.386240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.386240 (E_RNA)
where:
Base-Base interactions energy: -169.089
where: short stacking energy: -64.619
Base-Backbone interact. energy: -0.004
local terms energy: -61.293294
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -11.875
flat angles P-C4'-P energy: -6.378
tors. eta vs tors. theta energy: -15.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -218.123862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.123862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.178316 (E_RNA)
where:
Base-Base interactions energy: -160.900
where: short stacking energy: -60.103
Base-Backbone interact. energy: -0.008
local terms energy: -57.270030
where:
bonds (distance) C4'-P energy: -7.729
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -6.611
tors. eta vs tors. theta energy: -15.840
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: 5
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -212.703180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.703180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.743766 (E_RNA)
where:
Base-Base interactions energy: -148.483
where: short stacking energy: -62.420
Base-Backbone interact. energy: -0.001
local terms energy: -64.259889
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -12.973
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -15.649
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: 405
Temperature: 1.050000
Total energy: -209.695155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.695155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.707263 (E_RNA)
where:
Base-Base interactions energy: -142.762
where: short stacking energy: -59.710
Base-Backbone interact. energy: -0.239
local terms energy: -66.706891
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -14.228
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: 5, replica: 2
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -208.805202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.805202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.015576 (E_RNA)
where:
Base-Base interactions energy: -147.880
where: short stacking energy: -65.111
Base-Backbone interact. energy: -0.090
local terms energy: -61.046349
where:
bonds (distance) C4'-P energy: -9.036
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -10.303
flat angles P-C4'-P energy: -10.927
tors. eta vs tors. theta energy: -17.778
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: 6, replica: 3
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -208.601465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.601465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.601465 (E_RNA)
where:
Base-Base interactions energy: -153.125
where: short stacking energy: -56.746
Base-Backbone interact. energy: -0.087
local terms energy: -55.389520
where:
bonds (distance) C4'-P energy: -7.068
bonds (distance) P-C4' energy: -12.207
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -3.878
tors. eta vs tors. theta energy: -16.668
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -203.019967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.019967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.128839 (E_RNA)
where:
Base-Base interactions energy: -144.718
where: short stacking energy: -56.978
Base-Backbone interact. energy: -0.958
local terms energy: -57.453141
where:
bonds (distance) C4'-P energy: -10.587
bonds (distance) P-C4' energy: -10.394
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -6.154
tors. eta vs tors. theta energy: -17.406
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: 9
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -199.284889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.284889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.443949 (E_RNA)
where:
Base-Base interactions energy: -134.377
where: short stacking energy: -57.797
Base-Backbone interact. energy: -0.000
local terms energy: -65.066925
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -17.118
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: 9, replica: 6
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -200.036177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.036177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.095025 (E_RNA)
where:
Base-Base interactions energy: -138.416
where: short stacking energy: -54.984
Base-Backbone interact. energy: -0.092
local terms energy: -61.587131
where:
bonds (distance) C4'-P energy: -9.540
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -13.877
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: 10, replica: 4
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -179.623193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.623193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.338098 (E_RNA)
where:
Base-Base interactions energy: -132.550
where: short stacking energy: -58.065
Base-Backbone interact. energy: -0.680
local terms energy: -55.107978
where:
bonds (distance) C4'-P energy: -11.551
bonds (distance) P-C4' energy: -12.224
flat angles C4'-P-C4' energy: -10.571
flat angles P-C4'-P energy: -5.657
tors. eta vs tors. theta energy: -15.105
Dist. restrs. and SS energy: 8.715 (S_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: 406
Temperature: 0.900000
Total energy: -233.288757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.288757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.291122 (E_RNA)
where:
Base-Base interactions energy: -166.152
where: short stacking energy: -70.172
Base-Backbone interact. energy: -0.101
local terms energy: -67.037863
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -2.417
tors. eta vs tors. theta energy: -19.027
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: 10
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -218.045107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.045107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.050189 (E_RNA)
where:
Base-Base interactions energy: -152.856
where: short stacking energy: -66.225
Base-Backbone interact. energy: 0.103
local terms energy: -65.297078
where:
bonds (distance) C4'-P energy: -8.551
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -17.704
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: 406
Temperature: 1.000000
Total energy: -215.068795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.068795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.093260 (E_RNA)
where:
Base-Base interactions energy: -155.071
where: short stacking energy: -59.118
Base-Backbone interact. energy: -0.054
local terms energy: -59.968253
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -3.006
tors. eta vs tors. theta energy: -13.240
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: 5
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -215.826539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.826539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.833635 (E_RNA)
where:
Base-Base interactions energy: -144.385
where: short stacking energy: -56.918
Base-Backbone interact. energy: -0.608
local terms energy: -70.840736
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -15.465
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -17.716
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: 406
Temperature: 1.100000
Total energy: -207.923453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.923453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.948575 (E_RNA)
where:
Base-Base interactions energy: -148.453
where: short stacking energy: -60.890
Base-Backbone interact. energy: -0.553
local terms energy: -58.942077
where:
bonds (distance) C4'-P energy: -11.953
bonds (distance) P-C4' energy: -11.682
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -12.613
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: 2
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -208.426856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.426856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.473982 (E_RNA)
where:
Base-Base interactions energy: -146.377
where: short stacking energy: -59.554
Base-Backbone interact. energy: -0.021
local terms energy: -62.075825
where:
bonds (distance) C4'-P energy: -5.993
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -18.370
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: 9
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -198.580328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.580328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.601314 (E_RNA)
where:
Base-Base interactions energy: -141.312
where: short stacking energy: -56.815
Base-Backbone interact. energy: -0.002
local terms energy: -57.287440
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -11.031
flat angles C4'-P-C4' energy: -9.826
flat angles P-C4'-P energy: -5.736
tors. eta vs tors. theta energy: -16.820
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: 8
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -201.456920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.456920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.517285 (E_RNA)
where:
Base-Base interactions energy: -144.653
where: short stacking energy: -57.410
Base-Backbone interact. energy: -0.019
local terms energy: -56.845048
where:
bonds (distance) C4'-P energy: -8.597
bonds (distance) P-C4' energy: -12.123
flat angles C4'-P-C4' energy: -11.338
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -13.909
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: 4
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -188.667508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.667508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.480726 (E_RNA)
where:
Base-Base interactions energy: -134.748
where: short stacking energy: -59.576
Base-Backbone interact. energy: -0.222
local terms energy: -61.510553
where:
bonds (distance) C4'-P energy: -11.101
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -11.083
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -15.579
Dist. restrs. and SS energy: 7.813 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -191.594793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.594793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.799531 (E_RNA)
where:
Base-Base interactions energy: -133.953
where: short stacking energy: -53.484
Base-Backbone interact. energy: -0.001
local terms energy: -57.846392
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -12.892
flat angles P-C4'-P energy: -4.433
tors. eta vs tors. theta energy: -13.361
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: 1, replica: 1
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -229.393818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.393818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.393818 (E_RNA)
where:
Base-Base interactions energy: -169.098
where: short stacking energy: -68.266
Base-Backbone interact. energy: -0.001
local terms energy: -60.294272
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -11.731
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -2.001
tors. eta vs tors. theta energy: -19.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -217.933899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.933899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.942473 (E_RNA)
where:
Base-Base interactions energy: -157.440
where: short stacking energy: -64.144
Base-Backbone interact. energy: -0.002
local terms energy: -60.500665
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -4.535
tors. eta vs tors. theta energy: -16.216
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: 7
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -211.140309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.140309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.168196 (E_RNA)
where:
Base-Base interactions energy: -148.061
where: short stacking energy: -59.012
Base-Backbone interact. energy: 0.587
local terms energy: -63.694217
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -12.819
flat angles C4'-P-C4' energy: -11.870
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -15.621
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: 3
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -212.708344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.708344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.736485 (E_RNA)
where:
Base-Base interactions energy: -156.855
where: short stacking energy: -62.593
Base-Backbone interact. energy: -0.047
local terms energy: -55.834363
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -11.978
flat angles P-C4'-P energy: -2.653
tors. eta vs tors. theta energy: -14.945
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: 5
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -207.805711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.805711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.806815 (E_RNA)
where:
Base-Base interactions energy: -147.831
where: short stacking energy: -61.705
Base-Backbone interact. energy: 2.829
local terms energy: -62.804073
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -11.702
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -17.503
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: 407
Temperature: 1.150000
Total energy: -206.280887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.280887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.320396 (E_RNA)
where:
Base-Base interactions energy: -142.412
where: short stacking energy: -60.491
Base-Backbone interact. energy: -0.415
local terms energy: -63.493919
where:
bonds (distance) C4'-P energy: -6.100
bonds (distance) P-C4' energy: -14.397
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -18.582
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: 2
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -199.314042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.314042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.336012 (E_RNA)
where:
Base-Base interactions energy: -145.899
where: short stacking energy: -52.909
Base-Backbone interact. energy: -0.107
local terms energy: -53.329463
where:
bonds (distance) C4'-P energy: -11.523
bonds (distance) P-C4' energy: -11.244
flat angles C4'-P-C4' energy: -10.733
flat angles P-C4'-P energy: -4.713
tors. eta vs tors. theta energy: -15.117
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: 4
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -188.827655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.827655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.700755 (E_RNA)
where:
Base-Base interactions energy: -136.964
where: short stacking energy: -57.438
Base-Backbone interact. energy: -0.131
local terms energy: -60.605333
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -2.695
tors. eta vs tors. theta energy: -17.050
Dist. restrs. and SS energy: 8.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -194.937189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.937189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.041625 (E_RNA)
where:
Base-Base interactions energy: -137.105
where: short stacking energy: -58.390
Base-Backbone interact. energy: -0.123
local terms energy: -57.813339
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -7.525
flat angles P-C4'-P energy: -6.167
tors. eta vs tors. theta energy: -17.477
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: 6
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -194.251819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.251819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.301205 (E_RNA)
where:
Base-Base interactions energy: -141.151
where: short stacking energy: -55.450
Base-Backbone interact. energy: -0.027
local terms energy: -53.123197
where:
bonds (distance) C4'-P energy: -7.184
bonds (distance) P-C4' energy: -10.471
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: -13.352
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: 1, replica: 10
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -219.961994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.961994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.027360 (E_RNA)
where:
Base-Base interactions energy: -159.928
where: short stacking energy: -61.162
Base-Backbone interact. energy: -0.003
local terms energy: -60.096265
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: 0.133
tors. eta vs tors. theta energy: -16.155
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: 1
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -216.345619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.345619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.363698 (E_RNA)
where:
Base-Base interactions energy: -153.272
where: short stacking energy: -62.640
Base-Backbone interact. energy: -0.535
local terms energy: -62.557251
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -11.328
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -15.180
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: 3
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -209.639175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.639175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.659341 (E_RNA)
where:
Base-Base interactions energy: -146.515
where: short stacking energy: -59.914
Base-Backbone interact. energy: -0.220
local terms energy: -62.923670
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -13.971
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -15.222
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: 7
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -213.817056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.817056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.019417 (E_RNA)
where:
Base-Base interactions energy: -150.205
where: short stacking energy: -64.813
Base-Backbone interact. energy: -0.004
local terms energy: -63.809773
where:
bonds (distance) C4'-P energy: -8.786
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -11.887
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -18.245
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: 5, replica: 9
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -214.626020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.626020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.871039 (E_RNA)
where:
Base-Base interactions energy: -147.778
where: short stacking energy: -58.701
Base-Backbone interact. energy: -0.217
local terms energy: -66.875591
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -16.000
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: 5
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -206.302425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.302425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.348060 (E_RNA)
where:
Base-Base interactions energy: -149.763
where: short stacking energy: -63.236
Base-Backbone interact. energy: 0.709
local terms energy: -57.294203
where:
bonds (distance) C4'-P energy: -9.183
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -11.176
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -12.118
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: 2
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -199.985575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.985575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.000787 (E_RNA)
where:
Base-Base interactions energy: -140.087
where: short stacking energy: -56.321
Base-Backbone interact. energy: -0.647
local terms energy: -59.266669
where:
bonds (distance) C4'-P energy: -11.042
bonds (distance) P-C4' energy: -12.809
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -7.213
tors. eta vs tors. theta energy: -13.816
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: 408
Temperature: 1.250000
Total energy: -185.817880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.817880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.173254 (E_RNA)
where:
Base-Base interactions energy: -135.495
where: short stacking energy: -60.713
Base-Backbone interact. energy: -0.028
local terms energy: -57.650190
where:
bonds (distance) C4'-P energy: -7.318
bonds (distance) P-C4' energy: -11.492
flat angles C4'-P-C4' energy: -10.870
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -19.065
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: 9, replica: 6
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -194.147778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.147778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.285307 (E_RNA)
where:
Base-Base interactions energy: -141.187
where: short stacking energy: -61.095
Base-Backbone interact. energy: 0.166
local terms energy: -53.264806
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -8.119
flat angles C4'-P-C4' energy: -9.938
flat angles P-C4'-P energy: -6.318
tors. eta vs tors. theta energy: -17.533
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: 10, replica: 8
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -193.744691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.744691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.790858 (E_RNA)
where:
Base-Base interactions energy: -135.310
where: short stacking energy: -55.958
Base-Backbone interact. energy: -0.025
local terms energy: -58.455925
where:
bonds (distance) C4'-P energy: -7.267
bonds (distance) P-C4' energy: -12.064
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -13.394
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: 409
Temperature: 0.900000
Total energy: -215.056311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.056311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.155025 (E_RNA)
where:
Base-Base interactions energy: -148.095
where: short stacking energy: -60.830
Base-Backbone interact. energy: -0.205
local terms energy: -66.854942
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -10.353
tors. eta vs tors. theta energy: -13.866
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: 2, replica: 3
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -214.687977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.687977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.687977 (E_RNA)
where:
Base-Base interactions energy: -148.724
where: short stacking energy: -60.591
Base-Backbone interact. energy: 0.071
local terms energy: -66.034398
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -10.508
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -18.098
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: 3, replica: 1
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -226.612608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.612608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.612608 (E_RNA)
where:
Base-Base interactions energy: -167.531
where: short stacking energy: -68.365
Base-Backbone interact. energy: -0.290
local terms energy: -58.791999
where:
bonds (distance) C4'-P energy: -10.612
bonds (distance) P-C4' energy: -10.409
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -4.479
tors. eta vs tors. theta energy: -18.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -208.009691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.009691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.165048 (E_RNA)
where:
Base-Base interactions energy: -143.493
where: short stacking energy: -55.677
Base-Backbone interact. energy: -0.029
local terms energy: -64.643614
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -15.290
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: 409
Temperature: 1.100000
Total energy: -207.175898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.175898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.348863 (E_RNA)
where:
Base-Base interactions energy: -144.834
where: short stacking energy: -64.881
Base-Backbone interact. energy: -0.577
local terms energy: -61.938037
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -11.915
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -7.718
tors. eta vs tors. theta energy: -17.079
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: 6, replica: 2
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -201.856054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.856054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.921025 (E_RNA)
where:
Base-Base interactions energy: -138.194
where: short stacking energy: -52.476
Base-Backbone interact. energy: -0.001
local terms energy: -63.726289
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -6.680
tors. eta vs tors. theta energy: -13.748
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: 5
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -198.807239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.807239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.872456 (E_RNA)
where:
Base-Base interactions energy: -138.708
where: short stacking energy: -57.753
Base-Backbone interact. energy: -0.123
local terms energy: -60.041755
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -9.948
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -18.026
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: 6
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -192.480091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.480091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.550069 (E_RNA)
where:
Base-Base interactions energy: -135.543
where: short stacking energy: -49.400
Base-Backbone interact. energy: 0.561
local terms energy: -57.568009
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -10.369
flat angles C4'-P-C4' energy: -13.689
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -11.237
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: 9, replica: 4
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -180.678061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.678061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.422248 (E_RNA)
where:
Base-Base interactions energy: -139.585
where: short stacking energy: -54.596
Base-Backbone interact. energy: -0.488
local terms energy: -51.349398
where:
bonds (distance) C4'-P energy: -8.207
bonds (distance) P-C4' energy: -9.341
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -8.461
tors. eta vs tors. theta energy: -10.934
Dist. restrs. and SS energy: 10.744 (S_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: 409
Temperature: 1.350000
Total energy: -197.216853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.216853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.258893 (E_RNA)
where:
Base-Base interactions energy: -136.869
where: short stacking energy: -53.953
Base-Backbone interact. energy: -0.306
local terms energy: -60.083961
where:
bonds (distance) C4'-P energy: -8.882
bonds (distance) P-C4' energy: -13.348
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -13.750
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: 410
Temperature: 0.900000
Total energy: -227.427841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.427841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.467180 (E_RNA)
where:
Base-Base interactions energy: -164.595
where: short stacking energy: -63.498
Base-Backbone interact. energy: -0.335
local terms energy: -62.537160
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -12.308
flat angles C4'-P-C4' energy: -12.224
flat angles P-C4'-P energy: -6.469
tors. eta vs tors. theta energy: -16.180
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: 10
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -228.591766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.591766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.591766 (E_RNA)
where:
Base-Base interactions energy: -171.728
where: short stacking energy: -66.838
Base-Backbone interact. energy: -0.082
local terms energy: -56.781711
where:
bonds (distance) C4'-P energy: -7.943
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -4.632
tors. eta vs tors. theta energy: -17.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -215.822638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.822638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.822638 (E_RNA)
where:
Base-Base interactions energy: -161.645
where: short stacking energy: -63.880
Base-Backbone interact. energy: -0.024
local terms energy: -54.153905
where:
bonds (distance) C4'-P energy: -12.184
bonds (distance) P-C4' energy: -8.644
flat angles C4'-P-C4' energy: -11.044
flat angles P-C4'-P energy: -5.866
tors. eta vs tors. theta energy: -16.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -206.704178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.704178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.748843 (E_RNA)
where:
Base-Base interactions energy: -141.494
where: short stacking energy: -54.755
Base-Backbone interact. energy: -0.095
local terms energy: -65.160155
where:
bonds (distance) C4'-P energy: -10.239
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: -15.149
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: 7
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -217.886342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.886342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.886342 (E_RNA)
where:
Base-Base interactions energy: -154.389
where: short stacking energy: -62.453
Base-Backbone interact. energy: -0.108
local terms energy: -63.390013
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -12.307
flat angles P-C4'-P energy: -8.283
tors. eta vs tors. theta energy: -18.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -209.634103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.634103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.634103 (E_RNA)
where:
Base-Base interactions energy: -147.307
where: short stacking energy: -62.223
Base-Backbone interact. energy: -0.001
local terms energy: -62.326199
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -6.955
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -8.998
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: 7, replica: 5
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -204.361279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.361279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.383149 (E_RNA)
where:
Base-Base interactions energy: -141.024
where: short stacking energy: -58.575
Base-Backbone interact. energy: -0.124
local terms energy: -63.235333
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -8.887
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -16.286
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: 6
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -207.100599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.100599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.167310 (E_RNA)
where:
Base-Base interactions energy: -147.073
where: short stacking energy: -56.869
Base-Backbone interact. energy: -0.194
local terms energy: -59.899665
where:
bonds (distance) C4'-P energy: -11.063
bonds (distance) P-C4' energy: -13.181
flat angles C4'-P-C4' energy: -11.955
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: -15.632
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: 410
Temperature: 1.300000
Total energy: -197.529744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.529744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.749423 (E_RNA)
where:
Base-Base interactions energy: -135.861
where: short stacking energy: -53.894
Base-Backbone interact. energy: -0.000
local terms energy: -61.887961
where:
bonds (distance) C4'-P energy: -11.320
bonds (distance) P-C4' energy: -11.244
flat angles C4'-P-C4' energy: -11.941
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -18.987
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: 10, replica: 4
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -174.633393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.633393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.365386 (E_RNA)
where:
Base-Base interactions energy: -126.475
where: short stacking energy: -51.851
Base-Backbone interact. energy: -0.761
local terms energy: -55.128905
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -10.271
flat angles C4'-P-C4' energy: -10.977
flat angles P-C4'-P energy: -6.394
tors. eta vs tors. theta energy: -15.582
Dist. restrs. and SS energy: 7.732 (S_DIST_RNA)
chem. 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: -225.537486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.537486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.539542 (E_RNA)
where:
Base-Base interactions energy: -165.266
where: short stacking energy: -65.553
Base-Backbone interact. energy: -0.074
local terms energy: -60.199550
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -5.443
tors. eta vs tors. theta energy: -14.160
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: 411
Temperature: 0.950000
Total energy: -216.040063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.040063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.040063 (E_RNA)
where:
Base-Base interactions energy: -150.672
where: short stacking energy: -61.935
Base-Backbone interact. energy: 0.556
local terms energy: -65.923639
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -13.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -214.977495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.977495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.118929 (E_RNA)
where:
Base-Base interactions energy: -150.914
where: short stacking energy: -60.392
Base-Backbone interact. energy: -0.118
local terms energy: -64.086762
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -7.085
tors. eta vs tors. theta energy: -14.024
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: 7
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -225.743055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.743055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.779651 (E_RNA)
where:
Base-Base interactions energy: -161.996
where: short stacking energy: -62.634
Base-Backbone interact. energy: -0.000
local terms energy: -63.783192
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -13.358
flat angles C4'-P-C4' energy: -12.302
flat angles P-C4'-P energy: -6.905
tors. eta vs tors. theta energy: -16.565
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: 411
Temperature: 1.100000
Total energy: -208.662630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.662630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.743534 (E_RNA)
where:
Base-Base interactions energy: -148.930
where: short stacking energy: -58.628
Base-Backbone interact. energy: 1.384
local terms energy: -61.197179
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -9.589
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -16.697
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: 5
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -203.187395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.187395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.346487 (E_RNA)
where:
Base-Base interactions energy: -142.631
where: short stacking energy: -61.440
Base-Backbone interact. energy: -0.011
local terms energy: -60.705245
where:
bonds (distance) C4'-P energy: -9.769
bonds (distance) P-C4' energy: -11.462
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -10.051
tors. eta vs tors. theta energy: -17.030
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: 7, replica: 2
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -201.703083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.703083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.732240 (E_RNA)
where:
Base-Base interactions energy: -131.874
where: short stacking energy: -52.857
Base-Backbone interact. energy: -0.001
local terms energy: -69.856656
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -15.839
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: 8
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -193.655553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.655553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.677305 (E_RNA)
where:
Base-Base interactions energy: -140.064
where: short stacking energy: -53.130
Base-Backbone interact. energy: -0.116
local terms energy: -53.496760
where:
bonds (distance) C4'-P energy: -10.613
bonds (distance) P-C4' energy: -12.103
flat angles C4'-P-C4' energy: -9.828
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -11.616
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: 6
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -198.278422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.278422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.291121 (E_RNA)
where:
Base-Base interactions energy: -136.916
where: short stacking energy: -52.111
Base-Backbone interact. energy: -0.131
local terms energy: -61.243834
where:
bonds (distance) C4'-P energy: -9.705
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -13.162
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: 4
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -167.501712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.501712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.311383 (E_RNA)
where:
Base-Base interactions energy: -129.446
where: short stacking energy: -57.772
Base-Backbone interact. energy: -0.057
local terms energy: -45.807627
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -11.259
flat angles C4'-P-C4' energy: -7.438
flat angles P-C4'-P energy: -1.729
tors. eta vs tors. theta energy: -11.498
Dist. restrs. and SS energy: 7.810 (S_DIST_RNA)
chem. 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: -229.239835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.239835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.298348 (E_RNA)
where:
Base-Base interactions energy: -164.844
where: short stacking energy: -65.318
Base-Backbone interact. energy: -0.003
local terms energy: -64.451834
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -5.881
tors. eta vs tors. theta energy: -17.297
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: 412
Temperature: 0.950000
Total energy: -220.794062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.794062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.959343 (E_RNA)
where:
Base-Base interactions energy: -150.629
where: short stacking energy: -62.914
Base-Backbone interact. energy: -0.003
local terms energy: -70.327398
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -18.214
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: 7
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -223.118581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.118581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.118581 (E_RNA)
where:
Base-Base interactions energy: -154.375
where: short stacking energy: -64.954
Base-Backbone interact. energy: -0.075
local terms energy: -68.668505
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -11.621
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -17.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -215.110278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.110278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.267751 (E_RNA)
where:
Base-Base interactions energy: -147.043
where: short stacking energy: -62.750
Base-Backbone interact. energy: -0.320
local terms energy: -67.904426
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -6.609
tors. eta vs tors. theta energy: -20.291
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: 5
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -216.070305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.070305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.284553 (E_RNA)
where:
Base-Base interactions energy: -155.774
where: short stacking energy: -66.944
Base-Backbone interact. energy: -0.002
local terms energy: -60.508374
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -1.230
tors. eta vs tors. theta energy: -17.249
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: 6, replica: 9
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -205.782459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.782459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.921353 (E_RNA)
where:
Base-Base interactions energy: -147.505
where: short stacking energy: -61.751
Base-Backbone interact. energy: 0.451
local terms energy: -58.867015
where:
bonds (distance) C4'-P energy: -10.008
bonds (distance) P-C4' energy: -11.553
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -8.157
tors. eta vs tors. theta energy: -14.632
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: 8
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -191.438744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.438744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.528218 (E_RNA)
where:
Base-Base interactions energy: -140.585
where: short stacking energy: -59.185
Base-Backbone interact. energy: -0.041
local terms energy: -50.902436
where:
bonds (distance) C4'-P energy: -12.228
bonds (distance) P-C4' energy: -9.244
flat angles C4'-P-C4' energy: -10.143
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: -11.634
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: 2
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -202.198401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.198401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.297027 (E_RNA)
where:
Base-Base interactions energy: -141.150
where: short stacking energy: -56.681
Base-Backbone interact. energy: -0.102
local terms energy: -61.045299
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -12.617
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: -14.893
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: 412
Temperature: 1.300000
Total energy: -174.694987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.694987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.582667 (E_RNA)
where:
Base-Base interactions energy: -133.108
where: short stacking energy: -56.080
Base-Backbone interact. energy: -1.999
local terms energy: -47.475573
where:
bonds (distance) C4'-P energy: -6.966
bonds (distance) P-C4' energy: -10.223
flat angles C4'-P-C4' energy: -8.446
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -12.125
Dist. restrs. and SS energy: 7.888 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -192.719348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.719348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.920261 (E_RNA)
where:
Base-Base interactions energy: -138.701
where: short stacking energy: -56.718
Base-Backbone interact. energy: -0.001
local terms energy: -54.217278
where:
bonds (distance) C4'-P energy: -9.903
bonds (distance) P-C4' energy: -11.386
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -7.415
tors. eta vs tors. theta energy: -10.474
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: 3
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -227.895496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.895496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.936886 (E_RNA)
where:
Base-Base interactions energy: -162.487
where: short stacking energy: -63.499
Base-Backbone interact. energy: -0.095
local terms energy: -65.354664
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -12.384
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: -16.671
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: 7
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -228.815914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.815914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.862932 (E_RNA)
where:
Base-Base interactions energy: -166.551
where: short stacking energy: -69.635
Base-Backbone interact. energy: -0.002
local terms energy: -62.309916
where:
bonds (distance) C4'-P energy: -11.598
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -5.710
tors. eta vs tors. theta energy: -16.954
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: 413
Temperature: 1.000000
Total energy: -216.275125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.275125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.340837 (E_RNA)
where:
Base-Base interactions energy: -148.473
where: short stacking energy: -62.045
Base-Backbone interact. energy: -0.000
local terms energy: -67.867585
where:
bonds (distance) C4'-P energy: -12.069
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -16.780
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: 5
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -212.313359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.313359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.351233 (E_RNA)
where:
Base-Base interactions energy: -149.301
where: short stacking energy: -63.048
Base-Backbone interact. energy: -0.006
local terms energy: -63.044185
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -9.733
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -15.365
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: 413
Temperature: 1.100000
Total energy: -201.954594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.954594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.002453 (E_RNA)
where:
Base-Base interactions energy: -145.508
where: short stacking energy: -51.878
Base-Backbone interact. energy: -0.019
local terms energy: -56.475854
where:
bonds (distance) C4'-P energy: -10.244
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -9.935
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -13.397
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: 8
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -203.359468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.359468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.567163 (E_RNA)
where:
Base-Base interactions energy: -143.442
where: short stacking energy: -63.678
Base-Backbone interact. energy: -0.000
local terms energy: -60.125028
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -10.425
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -6.534
tors. eta vs tors. theta energy: -18.119
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: 7, replica: 9
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -201.591072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.591072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.699682 (E_RNA)
where:
Base-Base interactions energy: -139.446
where: short stacking energy: -58.693
Base-Backbone interact. energy: -0.774
local terms energy: -61.480158
where:
bonds (distance) C4'-P energy: -11.598
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -11.357
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -14.656
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: 4
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -185.152136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.152136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.921089 (E_RNA)
where:
Base-Base interactions energy: -136.276
where: short stacking energy: -56.845
Base-Backbone interact. energy: -0.998
local terms energy: -55.646846
where:
bonds (distance) C4'-P energy: -9.791
bonds (distance) P-C4' energy: -12.319
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -6.530
tors. eta vs tors. theta energy: -13.353
Dist. restrs. and SS energy: 7.769 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -192.926141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.926141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.926141 (E_RNA)
where:
Base-Base interactions energy: -136.364
where: short stacking energy: -51.283
Base-Backbone interact. energy: -0.020
local terms energy: -56.543038
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -10.259
flat angles P-C4'-P energy: -7.336
tors. eta vs tors. theta energy: -13.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -186.058206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.058206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.179712 (E_RNA)
where:
Base-Base interactions energy: -132.495
where: short stacking energy: -52.519
Base-Backbone interact. energy: -0.049
local terms energy: -53.635838
where:
bonds (distance) C4'-P energy: -9.768
bonds (distance) P-C4' energy: -8.138
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -6.771
tors. eta vs tors. theta energy: -15.129
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: 1, replica: 3
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -228.166862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.166862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.166862 (E_RNA)
where:
Base-Base interactions energy: -164.164
where: short stacking energy: -63.738
Base-Backbone interact. energy: -0.005
local terms energy: -63.997805
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -7.146
tors. eta vs tors. theta energy: -15.649
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -226.929113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.929113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.970212 (E_RNA)
where:
Base-Base interactions energy: -163.162
where: short stacking energy: -68.617
Base-Backbone interact. energy: -0.001
local terms energy: -63.806739
where:
bonds (distance) C4'-P energy: -13.803
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -5.984
tors. eta vs tors. theta energy: -17.345
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: 3, replica: 1
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -223.834577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.834577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.851901 (E_RNA)
where:
Base-Base interactions energy: -163.181
where: short stacking energy: -61.643
Base-Backbone interact. energy: -0.011
local terms energy: -60.660341
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -5.528
tors. eta vs tors. theta energy: -15.064
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: 5
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -211.611555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.611555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.628008 (E_RNA)
where:
Base-Base interactions energy: -149.349
where: short stacking energy: -59.463
Base-Backbone interact. energy: -0.000
local terms energy: -62.278518
where:
bonds (distance) C4'-P energy: -13.799
bonds (distance) P-C4' energy: -13.647
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -13.688
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: 8
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -211.021876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.021876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.266336 (E_RNA)
where:
Base-Base interactions energy: -143.058
where: short stacking energy: -59.166
Base-Backbone interact. energy: 0.304
local terms energy: -68.512621
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -12.783
tors. eta vs tors. theta energy: -14.428
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: 6, replica: 10
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -209.245233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.245233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.245233 (E_RNA)
where:
Base-Base interactions energy: -151.468
where: short stacking energy: -58.418
Base-Backbone interact. energy: 0.736
local terms energy: -58.512921
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -8.937
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -6.434
tors. eta vs tors. theta energy: -15.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -202.725518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.725518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.916677 (E_RNA)
where:
Base-Base interactions energy: -145.972
where: short stacking energy: -62.519
Base-Backbone interact. energy: -0.087
local terms energy: -64.857759
where:
bonds (distance) C4'-P energy: -10.319
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: -16.694
Dist. restrs. and SS energy: 8.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -204.682505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.682505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.728791 (E_RNA)
where:
Base-Base interactions energy: -146.694
where: short stacking energy: -68.865
Base-Backbone interact. energy: -0.027
local terms energy: -58.008321
where:
bonds (distance) C4'-P energy: -8.952
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -14.592
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: 9, replica: 6
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -198.693005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.693005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.777747 (E_RNA)
where:
Base-Base interactions energy: -136.341
where: short stacking energy: -50.125
Base-Backbone interact. energy: -0.000
local terms energy: -62.436402
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -8.699
tors. eta vs tors. theta energy: -13.202
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: 10, replica: 2
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -194.826675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.826675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.934689 (E_RNA)
where:
Base-Base interactions energy: -134.544
where: short stacking energy: -51.878
Base-Backbone interact. energy: -0.032
local terms energy: -60.358854
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -10.681
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -12.686
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: 3
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -232.820094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.820094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.828924 (E_RNA)
where:
Base-Base interactions energy: -168.423
where: short stacking energy: -70.129
Base-Backbone interact. energy: -0.011
local terms energy: -64.394796
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -12.175
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -4.659
tors. eta vs tors. theta energy: -18.475
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: 2, replica: 7
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -221.046684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.046684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.133148 (E_RNA)
where:
Base-Base interactions energy: -154.174
where: short stacking energy: -65.585
Base-Backbone interact. energy: -0.276
local terms energy: -66.683789
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -6.220
tors. eta vs tors. theta energy: -18.980
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: 1
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -223.524112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.524112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.555453 (E_RNA)
where:
Base-Base interactions energy: -163.398
where: short stacking energy: -60.446
Base-Backbone interact. energy: -0.004
local terms energy: -60.153933
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -2.455
tors. eta vs tors. theta energy: -15.724
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: 415
Temperature: 1.050000
Total energy: -213.200588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.200588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.200588 (E_RNA)
where:
Base-Base interactions energy: -151.461
where: short stacking energy: -55.896
Base-Backbone interact. energy: -0.027
local terms energy: -61.712160
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -12.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -211.802672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.802672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.962099 (E_RNA)
where:
Base-Base interactions energy: -157.666
where: short stacking energy: -56.060
Base-Backbone interact. energy: -0.258
local terms energy: -54.038012
where:
bonds (distance) C4'-P energy: -9.266
bonds (distance) P-C4' energy: -11.356
flat angles C4'-P-C4' energy: -14.370
flat angles P-C4'-P energy: -6.321
tors. eta vs tors. theta energy: -12.725
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: 10
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -222.136972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.136972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.569258 (E_RNA)
where:
Base-Base interactions energy: -163.638
where: short stacking energy: -66.208
Base-Backbone interact. energy: -0.001
local terms energy: -58.930598
where:
bonds (distance) C4'-P energy: -10.224
bonds (distance) P-C4' energy: -11.362
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -3.975
tors. eta vs tors. theta energy: -18.203
Dist. restrs. and SS energy: 0.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -179.278391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.278391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.788968 (E_RNA)
where:
Base-Base interactions energy: -125.218
where: short stacking energy: -56.285
Base-Backbone interact. energy: -0.002
local terms energy: -63.569163
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -11.391
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -16.154
Dist. restrs. and SS energy: 9.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -194.772073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.772073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.940767 (E_RNA)
where:
Base-Base interactions energy: -138.181
where: short stacking energy: -58.145
Base-Backbone interact. energy: -0.008
local terms energy: -56.752222
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -9.988
flat angles P-C4'-P energy: -6.923
tors. eta vs tors. theta energy: -13.052
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: 9, replica: 9
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -191.644611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.644611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.687849 (E_RNA)
where:
Base-Base interactions energy: -134.157
where: short stacking energy: -52.077
Base-Backbone interact. energy: -0.105
local terms energy: -57.425685
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -5.578
tors. eta vs tors. theta energy: -13.718
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: 2
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -191.968900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.968900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.968900 (E_RNA)
where:
Base-Base interactions energy: -138.141
where: short stacking energy: -48.298
Base-Backbone interact. energy: -0.026
local terms energy: -53.802514
where:
bonds (distance) C4'-P energy: -9.067
bonds (distance) P-C4' energy: -11.859
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -4.951
tors. eta vs tors. theta energy: -13.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -219.089081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.089081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.216740 (E_RNA)
where:
Base-Base interactions energy: -151.433
where: short stacking energy: -61.301
Base-Backbone interact. energy: 0.077
local terms energy: -67.860679
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -12.938
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -15.427
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: 3
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -223.904401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.904401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.907659 (E_RNA)
where:
Base-Base interactions energy: -163.880
where: short stacking energy: -62.394
Base-Backbone interact. energy: -0.157
local terms energy: -59.869952
where:
bonds (distance) C4'-P energy: -8.597
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: -14.786
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: 416
Temperature: 1.000000
Total energy: -210.269530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.269530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.410539 (E_RNA)
where:
Base-Base interactions energy: -146.379
where: short stacking energy: -62.705
Base-Backbone interact. energy: -0.001
local terms energy: -64.031030
where:
bonds (distance) C4'-P energy: -9.693
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -14.998
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: 8
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -218.121218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.121218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.157114 (E_RNA)
where:
Base-Base interactions energy: -155.182
where: short stacking energy: -59.926
Base-Backbone interact. energy: -0.002
local terms energy: -62.972920
where:
bonds (distance) C4'-P energy: -9.995
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -15.795
flat angles P-C4'-P energy: -6.354
tors. eta vs tors. theta energy: -15.812
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: 10
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -209.019387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.019387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.067950 (E_RNA)
where:
Base-Base interactions energy: -151.118
where: short stacking energy: -65.519
Base-Backbone interact. energy: -0.001
local terms energy: -57.949740
where:
bonds (distance) C4'-P energy: -10.530
bonds (distance) P-C4' energy: -11.984
flat angles C4'-P-C4' energy: -11.663
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: -15.756
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: 6, replica: 5
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -202.265844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.265844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.403172 (E_RNA)
where:
Base-Base interactions energy: -134.747
where: short stacking energy: -54.018
Base-Backbone interact. energy: -0.281
local terms energy: -67.375695
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -12.528
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -11.859
tors. eta vs tors. theta energy: -14.737
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: 6
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -202.168113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.168113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.344906 (E_RNA)
where:
Base-Base interactions energy: -143.376
where: short stacking energy: -57.606
Base-Backbone interact. energy: -0.004
local terms energy: -58.964960
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -15.254
flat angles C4'-P-C4' energy: -10.501
flat angles P-C4'-P energy: -7.202
tors. eta vs tors. theta energy: -11.693
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: 4
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -180.160383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.160383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.293447 (E_RNA)
where:
Base-Base interactions energy: -121.039
where: short stacking energy: -50.883
Base-Backbone interact. energy: -0.057
local terms energy: -67.198073
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -12.848
flat angles C4'-P-C4' energy: -13.725
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -14.725
Dist. restrs. and SS energy: 8.133 (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: 9
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -196.077775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.077775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.207628 (E_RNA)
where:
Base-Base interactions energy: -146.900
where: short stacking energy: -52.725
Base-Backbone interact. energy: -0.345
local terms energy: -48.962438
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -8.459
flat angles P-C4'-P energy: -0.543
tors. eta vs tors. theta energy: -15.317
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: 2
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -198.813478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.813478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.875562 (E_RNA)
where:
Base-Base interactions energy: -134.863
where: short stacking energy: -53.010
Base-Backbone interact. energy: -0.080
local terms energy: -63.932306
where:
bonds (distance) C4'-P energy: -9.635
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -16.127
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: 1, replica: 7
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -216.068064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.068064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.118040 (E_RNA)
where:
Base-Base interactions energy: -155.676
where: short stacking energy: -58.157
Base-Backbone interact. energy: -0.008
local terms energy: -60.434831
where:
bonds (distance) C4'-P energy: -10.613
bonds (distance) P-C4' energy: -14.028
flat angles C4'-P-C4' energy: -12.475
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -14.767
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: 3
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -214.914789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.914789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.048831 (E_RNA)
where:
Base-Base interactions energy: -147.498
where: short stacking energy: -60.043
Base-Backbone interact. energy: -0.101
local terms energy: -67.450172
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -16.010
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: 1
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -218.488309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.488309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.698104 (E_RNA)
where:
Base-Base interactions energy: -154.193
where: short stacking energy: -66.824
Base-Backbone interact. energy: -0.003
local terms energy: -64.502686
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -4.439
tors. eta vs tors. theta energy: -16.851
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: 4, replica: 10
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -214.009229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.009229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.061602 (E_RNA)
where:
Base-Base interactions energy: -159.746
where: short stacking energy: -64.983
Base-Backbone interact. energy: -0.155
local terms energy: -54.160849
where:
bonds (distance) C4'-P energy: -10.099
bonds (distance) P-C4' energy: -10.851
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -2.170
tors. eta vs tors. theta energy: -16.435
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: 8
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -208.749234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.749234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.759240 (E_RNA)
where:
Base-Base interactions energy: -143.821
where: short stacking energy: -56.956
Base-Backbone interact. energy: -0.021
local terms energy: -64.916499
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -11.909
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -15.786
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: 417
Temperature: 1.150000
Total energy: -214.572266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.572266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.630582 (E_RNA)
where:
Base-Base interactions energy: -149.840
where: short stacking energy: -60.122
Base-Backbone interact. energy: -0.001
local terms energy: -64.789583
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -6.930
tors. eta vs tors. theta energy: -15.379
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: 5
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -206.818138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.818138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.856217 (E_RNA)
where:
Base-Base interactions energy: -145.583
where: short stacking energy: -57.748
Base-Backbone interact. energy: -0.004
local terms energy: -61.269108
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -12.051
flat angles P-C4'-P energy: -6.775
tors. eta vs tors. theta energy: -14.368
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: 9
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -194.187241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.187241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.226410 (E_RNA)
where:
Base-Base interactions energy: -140.044
where: short stacking energy: -59.860
Base-Backbone interact. energy: 0.395
local terms energy: -54.577000
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -10.044
flat angles C4'-P-C4' energy: -8.584
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -15.731
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: 9, replica: 4
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -176.951799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.951799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.319799 (E_RNA)
where:
Base-Base interactions energy: -133.498
where: short stacking energy: -59.437
Base-Backbone interact. energy: -0.013
local terms energy: -50.808671
where:
bonds (distance) C4'-P energy: -6.783
bonds (distance) P-C4' energy: -13.774
flat angles C4'-P-C4' energy: -9.191
flat angles P-C4'-P energy: -7.595
tors. eta vs tors. theta energy: -13.466
Dist. restrs. and SS energy: 7.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -187.003012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.003012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.059971 (E_RNA)
where:
Base-Base interactions energy: -138.311
where: short stacking energy: -54.396
Base-Backbone interact. energy: -0.183
local terms energy: -48.565183
where:
bonds (distance) C4'-P energy: -10.087
bonds (distance) P-C4' energy: -7.079
flat angles C4'-P-C4' energy: -9.922
flat angles P-C4'-P energy: -6.539
tors. eta vs tors. theta energy: -14.938
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: 3
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -223.899911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.899911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.964105 (E_RNA)
where:
Base-Base interactions energy: -160.415
where: short stacking energy: -63.064
Base-Backbone interact. energy: -1.429
local terms energy: -62.120197
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -6.253
tors. eta vs tors. theta energy: -15.042
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: 7
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -213.639930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.639930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.862623 (E_RNA)
where:
Base-Base interactions energy: -148.039
where: short stacking energy: -58.267
Base-Backbone interact. energy: -0.166
local terms energy: -65.657497
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -11.846
flat angles C4'-P-C4' energy: -13.711
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -14.901
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: 3, replica: 10
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -219.464043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.464043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.557707 (E_RNA)
where:
Base-Base interactions energy: -147.780
where: short stacking energy: -62.216
Base-Backbone interact. energy: -0.289
local terms energy: -71.488980
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -12.511
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -20.033
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: 4, replica: 1
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -213.481805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.481805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.591304 (E_RNA)
where:
Base-Base interactions energy: -143.935
where: short stacking energy: -62.320
Base-Backbone interact. energy: 0.610
local terms energy: -70.266354
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -17.654
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: 418
Temperature: 1.100000
Total energy: -206.998770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.998770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.998770 (E_RNA)
where:
Base-Base interactions energy: -148.369
where: short stacking energy: -62.344
Base-Backbone interact. energy: -0.010
local terms energy: -58.619695
where:
bonds (distance) C4'-P energy: -8.804
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -12.153
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -17.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -199.139000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.139000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.166990 (E_RNA)
where:
Base-Base interactions energy: -143.769
where: short stacking energy: -59.108
Base-Backbone interact. energy: -0.136
local terms energy: -55.262057
where:
bonds (distance) C4'-P energy: -8.170
bonds (distance) P-C4' energy: -9.675
flat angles C4'-P-C4' energy: -14.004
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -13.986
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: 7, replica: 9
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -200.651006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.651006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.860113 (E_RNA)
where:
Base-Base interactions energy: -141.707
where: short stacking energy: -59.310
Base-Backbone interact. energy: -0.070
local terms energy: -59.083256
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -10.387
flat angles C4'-P-C4' energy: -10.293
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -15.147
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: 8, replica: 5
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -205.438820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.438820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.699788 (E_RNA)
where:
Base-Base interactions energy: -149.058
where: short stacking energy: -61.309
Base-Backbone interact. energy: -0.016
local terms energy: -56.625744
where:
bonds (distance) C4'-P energy: -7.388
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -13.106
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: 9, replica: 2
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -198.341797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.341797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.341797 (E_RNA)
where:
Base-Base interactions energy: -141.159
where: short stacking energy: -53.392
Base-Backbone interact. energy: -0.446
local terms energy: -56.737023
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -9.810
flat angles P-C4'-P energy: -6.325
tors. eta vs tors. theta energy: -16.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -179.928894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.928894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.467504 (E_RNA)
where:
Base-Base interactions energy: -127.292
where: short stacking energy: -59.474
Base-Backbone interact. energy: -0.151
local terms energy: -60.024187
where:
bonds (distance) C4'-P energy: -10.765
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -7.363
tors. eta vs tors. theta energy: -13.425
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: 3
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -225.531217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.531217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.629700 (E_RNA)
where:
Base-Base interactions energy: -160.849
where: short stacking energy: -63.666
Base-Backbone interact. energy: -0.094
local terms energy: -64.687137
where:
bonds (distance) C4'-P energy: -9.779
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -7.283
tors. eta vs tors. theta energy: -16.677
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: 2, replica: 7
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -239.436163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.436163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.441485 (E_RNA)
where:
Base-Base interactions energy: -174.440
where: short stacking energy: -71.066
Base-Backbone interact. energy: -0.293
local terms energy: -64.708350
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -4.839
tors. eta vs tors. theta energy: -15.470
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: 10
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -217.166269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.166269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.332616 (E_RNA)
where:
Base-Base interactions energy: -150.765
where: short stacking energy: -60.941
Base-Backbone interact. energy: -0.029
local terms energy: -66.538873
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -13.741
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: 4, replica: 8
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -207.428965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.428965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.428965 (E_RNA)
where:
Base-Base interactions energy: -145.681
where: short stacking energy: -59.435
Base-Backbone interact. energy: -0.250
local terms energy: -61.497546
where:
bonds (distance) C4'-P energy: -9.479
bonds (distance) P-C4' energy: -9.800
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -18.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -212.868828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.868828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.919552 (E_RNA)
where:
Base-Base interactions energy: -148.986
where: short stacking energy: -61.936
Base-Backbone interact. energy: -0.123
local terms energy: -63.810057
where:
bonds (distance) C4'-P energy: -10.086
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -16.771
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: 419
Temperature: 1.150000
Total energy: -209.065819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.065819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.599136 (E_RNA)
where:
Base-Base interactions energy: -145.429
where: short stacking energy: -60.577
Base-Backbone interact. energy: -0.320
local terms energy: -63.849562
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -7.827
tors. eta vs tors. theta energy: -13.099
Dist. restrs. and SS energy: 0.533 (S_DIST_RNA)
chem. 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: -196.869567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.869567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.882397 (E_RNA)
where:
Base-Base interactions energy: -144.498
where: short stacking energy: -52.828
Base-Backbone interact. energy: -0.061
local terms energy: -52.323005
where:
bonds (distance) C4'-P energy: -8.605
bonds (distance) P-C4' energy: -10.746
flat angles C4'-P-C4' energy: -10.417
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: -13.165
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: 419
Temperature: 1.250000
Total energy: -196.000956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.000956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.004510 (E_RNA)
where:
Base-Base interactions energy: -136.902
where: short stacking energy: -52.023
Base-Backbone interact. energy: -0.003
local terms energy: -59.099164
where:
bonds (distance) C4'-P energy: -9.494
bonds (distance) P-C4' energy: -11.070
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -13.301
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: 419
Temperature: 1.300000
Total energy: -200.900873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.900873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.925522 (E_RNA)
where:
Base-Base interactions energy: -137.601
where: short stacking energy: -57.357
Base-Backbone interact. energy: -0.651
local terms energy: -62.674279
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -11.744
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -13.569
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: 419
Temperature: 1.350000
Total energy: -176.249175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.249175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.791361 (E_RNA)
where:
Base-Base interactions energy: -121.884
where: short stacking energy: -46.644
Base-Backbone interact. energy: -0.192
local terms energy: -62.715103
where:
bonds (distance) C4'-P energy: -11.312
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -12.984
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -13.919
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: 7
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -230.712377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.712377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.748990 (E_RNA)
where:
Base-Base interactions energy: -169.272
where: short stacking energy: -69.785
Base-Backbone interact. energy: -0.090
local terms energy: -61.387098
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -10.605
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -7.089
tors. eta vs tors. theta energy: -16.288
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: 420
Temperature: 0.950000
Total energy: -218.058110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.058110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.058110 (E_RNA)
where:
Base-Base interactions energy: -156.088
where: short stacking energy: -58.547
Base-Backbone interact. energy: -0.000
local terms energy: -61.969182
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -13.362
flat angles C4'-P-C4' energy: -13.076
flat angles P-C4'-P energy: -6.856
tors. eta vs tors. theta energy: -16.834
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -219.290137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.290137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.372611 (E_RNA)
where:
Base-Base interactions energy: -152.483
where: short stacking energy: -63.095
Base-Backbone interact. energy: -0.044
local terms energy: -66.845311
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -16.261
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -14.760
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: 420
Temperature: 1.050000
Total energy: -210.868348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.868348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.017509 (E_RNA)
where:
Base-Base interactions energy: -141.893
where: short stacking energy: -59.907
Base-Backbone interact. energy: -0.011
local terms energy: -69.113540
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -16.116
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: 5, replica: 1
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -227.391393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.391393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.391393 (E_RNA)
where:
Base-Base interactions energy: -169.524
where: short stacking energy: -67.263
Base-Backbone interact. energy: -0.007
local terms energy: -57.860221
where:
bonds (distance) C4'-P energy: -9.044
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -1.919
tors. eta vs tors. theta energy: -18.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -208.264156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.264156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.451073 (E_RNA)
where:
Base-Base interactions energy: -143.323
where: short stacking energy: -62.538
Base-Backbone interact. energy: -0.190
local terms energy: -64.937557
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -16.253
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -16.718
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: 420
Temperature: 1.200000
Total energy: -204.493396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.493396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.493396 (E_RNA)
where:
Base-Base interactions energy: -152.838
where: short stacking energy: -57.741
Base-Backbone interact. energy: -0.310
local terms energy: -51.345727
where:
bonds (distance) C4'-P energy: -10.815
bonds (distance) P-C4' energy: -12.057
flat angles C4'-P-C4' energy: -10.747
flat angles P-C4'-P energy: -3.348
tors. eta vs tors. theta energy: -14.379
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: 2
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -202.514555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.514555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.713896 (E_RNA)
where:
Base-Base interactions energy: -149.703
where: short stacking energy: -57.440
Base-Backbone interact. energy: -0.007
local terms energy: -53.003985
where:
bonds (distance) C4'-P energy: -6.556
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -9.622
flat angles P-C4'-P energy: -8.645
tors. eta vs tors. theta energy: -12.982
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: 9, replica: 4
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -179.251569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.251569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.102053 (E_RNA)
where:
Base-Base interactions energy: -129.447
where: short stacking energy: -52.777
Base-Backbone interact. energy: -0.022
local terms energy: -57.633226
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -10.560
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -11.946
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: 420
Temperature: 1.350000
Total energy: -196.860447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.860447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.902597 (E_RNA)
where:
Base-Base interactions energy: -148.739
where: short stacking energy: -54.743
Base-Backbone interact. energy: -0.061
local terms energy: -48.102258
where:
bonds (distance) C4'-P energy: -10.352
bonds (distance) P-C4' energy: -11.613
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -1.240
tors. eta vs tors. theta energy: -10.663
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: 421
Temperature: 0.900000
Total energy: -234.893412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.893412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.901160 (E_RNA)
where:
Base-Base interactions energy: -171.786
where: short stacking energy: -67.022
Base-Backbone interact. energy: -0.079
local terms energy: -63.036007
where:
bonds (distance) C4'-P energy: -11.624
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -15.713
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: 8
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -220.193371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.193371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.193371 (E_RNA)
where:
Base-Base interactions energy: -152.899
where: short stacking energy: -59.852
Base-Backbone interact. energy: -0.001
local terms energy: -67.293134
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -15.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -217.227733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.227733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.227733 (E_RNA)
where:
Base-Base interactions energy: -155.690
where: short stacking energy: -61.532
Base-Backbone interact. energy: -0.122
local terms energy: -61.415416
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -17.137
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -219.364798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.364798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.574458 (E_RNA)
where:
Base-Base interactions energy: -157.759
where: short stacking energy: -59.098
Base-Backbone interact. energy: -0.454
local terms energy: -61.361766
where:
bonds (distance) C4'-P energy: -12.139
bonds (distance) P-C4' energy: -11.468
flat angles C4'-P-C4' energy: -13.529
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: -16.043
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: 5, replica: 10
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -206.472281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.472281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.621447 (E_RNA)
where:
Base-Base interactions energy: -151.354
where: short stacking energy: -62.716
Base-Backbone interact. energy: -0.158
local terms energy: -55.109459
where:
bonds (distance) C4'-P energy: -8.261
bonds (distance) P-C4' energy: -13.255
flat angles C4'-P-C4' energy: -12.208
flat angles P-C4'-P energy: -6.248
tors. eta vs tors. theta energy: -15.137
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: 6
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -208.496474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.496474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.732290 (E_RNA)
where:
Base-Base interactions energy: -149.475
where: short stacking energy: -63.244
Base-Backbone interact. energy: 0.369
local terms energy: -59.626125
where:
bonds (distance) C4'-P energy: -10.525
bonds (distance) P-C4' energy: -6.860
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -18.142
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: 9
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -199.406977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.406977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.448373 (E_RNA)
where:
Base-Base interactions energy: -139.858
where: short stacking energy: -51.111
Base-Backbone interact. energy: -0.011
local terms energy: -59.578562
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -12.327
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -8.038
tors. eta vs tors. theta energy: -12.866
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: 2
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -208.839265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.839265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.297621 (E_RNA)
where:
Base-Base interactions energy: -149.137
where: short stacking energy: -61.823
Base-Backbone interact. energy: -0.004
local terms energy: -60.156445
where:
bonds (distance) C4'-P energy: -10.820
bonds (distance) P-C4' energy: -11.783
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -5.118
tors. eta vs tors. theta energy: -17.973
Dist. restrs. and SS energy: 0.458 (S_DIST_RNA)
chem. 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: -178.544313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.544313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.031932 (E_RNA)
where:
Base-Base interactions energy: -138.486
where: short stacking energy: -57.068
Base-Backbone interact. energy: -0.362
local terms energy: -47.184433
where:
bonds (distance) C4'-P energy: -10.339
bonds (distance) P-C4' energy: -3.902
flat angles C4'-P-C4' energy: -6.455
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -17.150
Dist. restrs. and SS energy: 7.488 (S_DIST_RNA)
chem. 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: -195.204179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.204179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.243271 (E_RNA)
where:
Base-Base interactions energy: -141.705
where: short stacking energy: -58.328
Base-Backbone interact. energy: -0.066
local terms energy: -53.472663
where:
bonds (distance) C4'-P energy: -5.425
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -12.915
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: 1, replica: 8
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -218.916998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.916998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.925575 (E_RNA)
where:
Base-Base interactions energy: -155.499
where: short stacking energy: -65.956
Base-Backbone interact. energy: -0.168
local terms energy: -63.258747
where:
bonds (distance) C4'-P energy: -10.160
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -15.181
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: 7
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -233.058892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.058892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.071042 (E_RNA)
where:
Base-Base interactions energy: -169.739
where: short stacking energy: -67.839
Base-Backbone interact. energy: -0.091
local terms energy: -63.240658
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -6.320
tors. eta vs tors. theta energy: -17.091
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: 1
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -212.365143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.365143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.474308 (E_RNA)
where:
Base-Base interactions energy: -144.502
where: short stacking energy: -59.431
Base-Backbone interact. energy: -0.027
local terms energy: -67.945160
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -11.269
flat angles P-C4'-P energy: -11.754
tors. eta vs tors. theta energy: -16.279
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: 422
Temperature: 1.050000
Total energy: -214.419579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.419579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.556206 (E_RNA)
where:
Base-Base interactions energy: -152.829
where: short stacking energy: -61.230
Base-Backbone interact. energy: 0.388
local terms energy: -62.116103
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -13.672
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -6.992
tors. eta vs tors. theta energy: -16.269
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: 6
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -222.266024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.266024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.437699 (E_RNA)
where:
Base-Base interactions energy: -163.852
where: short stacking energy: -63.231
Base-Backbone interact. energy: -0.048
local terms energy: -58.538333
where:
bonds (distance) C4'-P energy: -10.563
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -7.069
tors. eta vs tors. theta energy: -14.358
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: 6, replica: 10
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -204.542468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.542468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.582779 (E_RNA)
where:
Base-Base interactions energy: -143.197
where: short stacking energy: -56.974
Base-Backbone interact. energy: -0.059
local terms energy: -61.326562
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -12.842
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -15.301
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: 9
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -200.778807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.778807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.912624 (E_RNA)
where:
Base-Base interactions energy: -141.937
where: short stacking energy: -55.550
Base-Backbone interact. energy: 2.379
local terms energy: -61.355343
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -11.062
flat angles P-C4'-P energy: -8.452
tors. eta vs tors. theta energy: -14.541
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: 2
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -191.203395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.203395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.203395 (E_RNA)
where:
Base-Base interactions energy: -134.730
where: short stacking energy: -53.191
Base-Backbone interact. energy: 0.637
local terms energy: -57.110552
where:
bonds (distance) C4'-P energy: -9.573
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -12.368
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -11.879
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -207.354884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.354884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.430689 (E_RNA)
where:
Base-Base interactions energy: -153.768
where: short stacking energy: -55.821
Base-Backbone interact. energy: -0.242
local terms energy: -53.420308
where:
bonds (distance) C4'-P energy: -8.074
bonds (distance) P-C4' energy: -11.114
flat angles C4'-P-C4' energy: -13.324
flat angles P-C4'-P energy: -4.676
tors. eta vs tors. theta energy: -16.232
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: 422
Temperature: 1.350000
Total energy: -162.809551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.809551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.671798 (E_RNA)
where:
Base-Base interactions energy: -118.037
where: short stacking energy: -44.765
Base-Backbone interact. energy: -0.005
local terms energy: -51.629287
where:
bonds (distance) C4'-P energy: -7.668
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -10.320
flat angles P-C4'-P energy: -6.688
tors. eta vs tors. theta energy: -11.477
Dist. restrs. and SS energy: 6.862 (S_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: 423
Temperature: 0.900000
Total energy: -219.841732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.841732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.850110 (E_RNA)
where:
Base-Base interactions energy: -150.781
where: short stacking energy: -61.425
Base-Backbone interact. energy: -0.009
local terms energy: -69.060260
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -14.623
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: 7
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -227.021128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.021128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.035012 (E_RNA)
where:
Base-Base interactions energy: -166.885
where: short stacking energy: -66.587
Base-Backbone interact. energy: -0.360
local terms energy: -59.789271
where:
bonds (distance) C4'-P energy: -10.980
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -4.784
tors. eta vs tors. theta energy: -16.200
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: 1
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -217.092859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.092859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.130897 (E_RNA)
where:
Base-Base interactions energy: -155.402
where: short stacking energy: -63.671
Base-Backbone interact. energy: -0.041
local terms energy: -61.688140
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -10.853
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -16.795
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: 423
Temperature: 1.050000
Total energy: -225.581005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.581005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.651401 (E_RNA)
where:
Base-Base interactions energy: -165.704
where: short stacking energy: -65.406
Base-Backbone interact. energy: -0.114
local terms energy: -59.833792
where:
bonds (distance) C4'-P energy: -10.475
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -12.300
flat angles P-C4'-P energy: -7.811
tors. eta vs tors. theta energy: -14.066
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: 3
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -208.274426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.274426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.291854 (E_RNA)
where:
Base-Base interactions energy: -149.702
where: short stacking energy: -61.225
Base-Backbone interact. energy: -0.081
local terms energy: -58.508878
where:
bonds (distance) C4'-P energy: -10.138
bonds (distance) P-C4' energy: -12.655
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -12.992
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: 423
Temperature: 1.150000
Total energy: -206.862919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.862919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.867504 (E_RNA)
where:
Base-Base interactions energy: -143.815
where: short stacking energy: -56.653
Base-Backbone interact. energy: -0.000
local terms energy: -63.052722
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -11.215
flat angles P-C4'-P energy: -9.049
tors. eta vs tors. theta energy: -15.369
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: 10
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -199.076306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.076306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.092757 (E_RNA)
where:
Base-Base interactions energy: -149.506
where: short stacking energy: -54.427
Base-Backbone interact. energy: -0.052
local terms energy: -49.535244
where:
bonds (distance) C4'-P energy: -9.740
bonds (distance) P-C4' energy: -12.309
flat angles C4'-P-C4' energy: -11.994
flat angles P-C4'-P energy: -4.378
tors. eta vs tors. theta energy: -11.114
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: 423
Temperature: 1.250000
Total energy: -212.235813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.235813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.261005 (E_RNA)
where:
Base-Base interactions energy: -153.280
where: short stacking energy: -59.278
Base-Backbone interact. energy: -0.187
local terms energy: -58.793558
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -9.815
flat angles P-C4'-P energy: -6.598
tors. eta vs tors. theta energy: -14.993
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: 2
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -190.243354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.243354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.359064 (E_RNA)
where:
Base-Base interactions energy: -127.094
where: short stacking energy: -45.355
Base-Backbone interact. energy: -0.396
local terms energy: -62.869414
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -12.817
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: -13.392
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: 4
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -174.215452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.215452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.523933 (E_RNA)
where:
Base-Base interactions energy: -125.180
where: short stacking energy: -53.620
Base-Backbone interact. energy: -0.337
local terms energy: -60.006273
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -4.504
tors. eta vs tors. theta energy: -13.399
Dist. restrs. and SS energy: 11.308 (S_DIST_RNA)
chem. 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: -235.686149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.686149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.690235 (E_RNA)
where:
Base-Base interactions energy: -173.739
where: short stacking energy: -72.542
Base-Backbone interact. energy: -0.211
local terms energy: -61.740328
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -13.330
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -2.604
tors. eta vs tors. theta energy: -18.788
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: 8
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -226.372211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.372211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.457426 (E_RNA)
where:
Base-Base interactions energy: -163.207
where: short stacking energy: -68.649
Base-Backbone interact. energy: -0.006
local terms energy: -63.244622
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -12.648
flat angles P-C4'-P energy: -5.096
tors. eta vs tors. theta energy: -17.923
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: 3, replica: 6
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -216.541567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.541567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.549357 (E_RNA)
where:
Base-Base interactions energy: -160.877
where: short stacking energy: -65.461
Base-Backbone interact. energy: -0.243
local terms energy: -55.429778
where:
bonds (distance) C4'-P energy: -8.179
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -10.384
flat angles P-C4'-P energy: -5.271
tors. eta vs tors. theta energy: -17.886
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: 1
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -217.291727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.291727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.296888 (E_RNA)
where:
Base-Base interactions energy: -149.980
where: short stacking energy: -64.486
Base-Backbone interact. energy: -0.006
local terms energy: -67.310641
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -10.970
tors. eta vs tors. theta energy: -17.221
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: 3
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -203.538535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.538535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.620676 (E_RNA)
where:
Base-Base interactions energy: -140.787
where: short stacking energy: -54.935
Base-Backbone interact. energy: -0.639
local terms energy: -62.195014
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -12.709
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -13.995
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: 9
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -207.529394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.529394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.546909 (E_RNA)
where:
Base-Base interactions energy: -142.655
where: short stacking energy: -58.090
Base-Backbone interact. energy: -0.002
local terms energy: -64.890075
where:
bonds (distance) C4'-P energy: -13.849
bonds (distance) P-C4' energy: -11.461
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -16.482
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: 424
Temperature: 1.200000
Total energy: -205.689130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.689130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.699232 (E_RNA)
where:
Base-Base interactions energy: -154.686
where: short stacking energy: -57.456
Base-Backbone interact. energy: -0.061
local terms energy: -50.952092
where:
bonds (distance) C4'-P energy: -10.020
bonds (distance) P-C4' energy: -11.054
flat angles C4'-P-C4' energy: -10.897
flat angles P-C4'-P energy: -2.177
tors. eta vs tors. theta energy: -16.804
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: 10
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -202.480382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.480382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.783844 (E_RNA)
where:
Base-Base interactions energy: -141.196
where: short stacking energy: -59.233
Base-Backbone interact. energy: -0.006
local terms energy: -61.582426
where:
bonds (distance) C4'-P energy: -10.940
bonds (distance) P-C4' energy: -13.974
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -7.243
tors. eta vs tors. theta energy: -16.498
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: 9, replica: 2
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -194.074154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.074154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.102011 (E_RNA)
where:
Base-Base interactions energy: -130.704
where: short stacking energy: -52.791
Base-Backbone interact. energy: -0.648
local terms energy: -62.749730
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -12.149
flat angles C4'-P-C4' energy: -14.028
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -14.833
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: 10, replica: 4
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -167.939166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.939166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.065400 (E_RNA)
where:
Base-Base interactions energy: -122.997
where: short stacking energy: -53.622
Base-Backbone interact. energy: -0.258
local terms energy: -51.810795
where:
bonds (distance) C4'-P energy: -10.152
bonds (distance) P-C4' energy: -9.673
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -5.895
tors. eta vs tors. theta energy: -13.374
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: 1, replica: 7
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -234.978174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.978174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.028972 (E_RNA)
where:
Base-Base interactions energy: -170.308
where: short stacking energy: -73.146
Base-Backbone interact. energy: -0.164
local terms energy: -64.557147
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -4.423
tors. eta vs tors. theta energy: -18.930
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: 425
Temperature: 0.950000
Total energy: -220.692571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.692571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.746288 (E_RNA)
where:
Base-Base interactions energy: -156.289
where: short stacking energy: -61.856
Base-Backbone interact. energy: -0.009
local terms energy: -64.447629
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -11.802
flat angles P-C4'-P energy: -5.253
tors. eta vs tors. theta energy: -17.670
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: 425
Temperature: 1.000000
Total energy: -233.094728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.094728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.147000 (E_RNA)
where:
Base-Base interactions energy: -171.858
where: short stacking energy: -71.501
Base-Backbone interact. energy: -0.292
local terms energy: -60.996859
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -12.587
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -5.920
tors. eta vs tors. theta energy: -16.086
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: 425
Temperature: 1.050000
Total energy: -214.810178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.810178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.813651 (E_RNA)
where:
Base-Base interactions energy: -155.887
where: short stacking energy: -63.137
Base-Backbone interact. energy: -0.060
local terms energy: -58.866008
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -8.777
tors. eta vs tors. theta energy: -11.386
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: 1
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -203.815016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.815016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.900117 (E_RNA)
where:
Base-Base interactions energy: -142.822
where: short stacking energy: -63.130
Base-Backbone interact. energy: -0.360
local terms energy: -60.718438
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -11.435
flat angles C4'-P-C4' energy: -13.085
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: -17.056
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: 6, replica: 5
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -202.804321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.804321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.857930 (E_RNA)
where:
Base-Base interactions energy: -142.767
where: short stacking energy: -59.920
Base-Backbone interact. energy: -0.704
local terms energy: -59.387058
where:
bonds (distance) C4'-P energy: -9.764
bonds (distance) P-C4' energy: -14.672
flat angles C4'-P-C4' energy: -11.696
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -14.083
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: 9
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -206.464562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.464562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.464562 (E_RNA)
where:
Base-Base interactions energy: -146.534
where: short stacking energy: -55.048
Base-Backbone interact. energy: -0.066
local terms energy: -59.864383
where:
bonds (distance) C4'-P energy: -11.715
bonds (distance) P-C4' energy: -11.669
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -6.931
tors. eta vs tors. theta energy: -16.667
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -202.502179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.502179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.797616 (E_RNA)
where:
Base-Base interactions energy: -144.204
where: short stacking energy: -53.670
Base-Backbone interact. energy: -0.049
local terms energy: -58.544661
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -9.990
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -12.593
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: 9, replica: 10
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -212.204125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.204125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.204125 (E_RNA)
where:
Base-Base interactions energy: -151.711
where: short stacking energy: -63.912
Base-Backbone interact. energy: 0.133
local terms energy: -60.626145
where:
bonds (distance) C4'-P energy: -7.988
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -16.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -169.493841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.493841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.841863 (E_RNA)
where:
Base-Base interactions energy: -120.328
where: short stacking energy: -47.648
Base-Backbone interact. energy: -0.857
local terms energy: -54.656984
where:
bonds (distance) C4'-P energy: -8.853
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -9.338
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -12.117
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: 8
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -229.020867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.020867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.020867 (E_RNA)
where:
Base-Base interactions energy: -168.098
where: short stacking energy: -66.484
Base-Backbone interact. energy: -0.008
local terms energy: -60.914731
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -11.067
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -4.709
tors. eta vs tors. theta energy: -18.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -227.694190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.694190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.765632 (E_RNA)
where:
Base-Base interactions energy: -168.124
where: short stacking energy: -63.434
Base-Backbone interact. energy: -0.003
local terms energy: -59.638365
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -1.620
tors. eta vs tors. theta energy: -16.714
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: 6
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -226.760125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.760125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.779959 (E_RNA)
where:
Base-Base interactions energy: -166.382
where: short stacking energy: -65.025
Base-Backbone interact. energy: -0.001
local terms energy: -60.397037
where:
bonds (distance) C4'-P energy: -11.682
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -11.805
flat angles P-C4'-P energy: -5.376
tors. eta vs tors. theta energy: -17.459
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: 3
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -207.968591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.968591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.002093 (E_RNA)
where:
Base-Base interactions energy: -143.067
where: short stacking energy: -57.227
Base-Backbone interact. energy: -0.040
local terms energy: -64.895034
where:
bonds (distance) C4'-P energy: -9.105
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -15.294
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: 426
Temperature: 1.100000
Total energy: -207.239641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.239641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.243739 (E_RNA)
where:
Base-Base interactions energy: -143.571
where: short stacking energy: -56.714
Base-Backbone interact. energy: -0.952
local terms energy: -62.721414
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -10.855
flat angles C4'-P-C4' energy: -10.044
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -17.260
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: 5
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -203.751155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.751155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.775775 (E_RNA)
where:
Base-Base interactions energy: -143.543
where: short stacking energy: -58.948
Base-Backbone interact. energy: -0.024
local terms energy: -60.209012
where:
bonds (distance) C4'-P energy: -10.148
bonds (distance) P-C4' energy: -10.961
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -14.590
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: 2
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -197.176342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.176342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.177213 (E_RNA)
where:
Base-Base interactions energy: -132.032
where: short stacking energy: -54.215
Base-Backbone interact. energy: -0.337
local terms energy: -64.808265
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -12.630
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -13.714
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: 9
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -201.097357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.097357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.329702 (E_RNA)
where:
Base-Base interactions energy: -138.339
where: short stacking energy: -54.876
Base-Backbone interact. energy: -0.030
local terms energy: -62.960900
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -7.123
tors. eta vs tors. theta energy: -15.491
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: 426
Temperature: 1.300000
Total energy: -195.110084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.110084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.110084 (E_RNA)
where:
Base-Base interactions energy: -142.587
where: short stacking energy: -59.264
Base-Backbone interact. energy: -0.017
local terms energy: -52.505578
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -8.642
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -5.605
tors. eta vs tors. theta energy: -12.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -198.878475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.878475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.223419 (E_RNA)
where:
Base-Base interactions energy: -137.932
where: short stacking energy: -57.399
Base-Backbone interact. energy: -0.003
local terms energy: -61.288751
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -8.964
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: -15.351
Dist. restrs. and SS energy: 0.345 (S_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: 427
Temperature: 0.900000
Total energy: -235.104963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.104963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.104963 (E_RNA)
where:
Base-Base interactions energy: -169.604
where: short stacking energy: -67.848
Base-Backbone interact. energy: -0.046
local terms energy: -65.455339
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -14.276
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -5.496
tors. eta vs tors. theta energy: -18.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -234.426986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.426986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.491890 (E_RNA)
where:
Base-Base interactions energy: -170.832
where: short stacking energy: -72.855
Base-Backbone interact. energy: -0.751
local terms energy: -62.908882
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -10.990
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -7.070
tors. eta vs tors. theta energy: -16.503
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: 7
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -224.316713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.316713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.329758 (E_RNA)
where:
Base-Base interactions energy: -166.481
where: short stacking energy: -64.937
Base-Backbone interact. energy: -0.206
local terms energy: -57.642796
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -9.785
flat angles P-C4'-P energy: -2.926
tors. eta vs tors. theta energy: -15.763
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: 427
Temperature: 1.050000
Total energy: -211.983118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.983118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.988739 (E_RNA)
where:
Base-Base interactions energy: -148.677
where: short stacking energy: -61.103
Base-Backbone interact. energy: -0.055
local terms energy: -63.257022
where:
bonds (distance) C4'-P energy: -8.655
bonds (distance) P-C4' energy: -11.038
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -16.850
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: 427
Temperature: 1.100000
Total energy: -210.008517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.008517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.230375 (E_RNA)
where:
Base-Base interactions energy: -143.957
where: short stacking energy: -58.054
Base-Backbone interact. energy: -0.623
local terms energy: -65.650205
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: -16.256
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: 427
Temperature: 1.150000
Total energy: -194.026575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.026575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.137047 (E_RNA)
where:
Base-Base interactions energy: -134.636
where: short stacking energy: -50.416
Base-Backbone interact. energy: -0.268
local terms energy: -59.232659
where:
bonds (distance) C4'-P energy: -11.998
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -6.619
tors. eta vs tors. theta energy: -10.480
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: 5
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -202.430187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.430187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.452747 (E_RNA)
where:
Base-Base interactions energy: -140.885
where: short stacking energy: -56.750
Base-Backbone interact. energy: -0.002
local terms energy: -61.566100
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -11.154
flat angles C4'-P-C4' energy: -13.100
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -13.334
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: 9
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -206.749043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.749043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.769922 (E_RNA)
where:
Base-Base interactions energy: -145.986
where: short stacking energy: -62.289
Base-Backbone interact. energy: -0.172
local terms energy: -60.612266
where:
bonds (distance) C4'-P energy: -8.468
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -11.455
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -17.832
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: 427
Temperature: 1.300000
Total energy: -198.322184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.322184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.322184 (E_RNA)
where:
Base-Base interactions energy: -148.184
where: short stacking energy: -61.839
Base-Backbone interact. energy: -0.607
local terms energy: -49.531477
where:
bonds (distance) C4'-P energy: -7.951
bonds (distance) P-C4' energy: -9.542
flat angles C4'-P-C4' energy: -11.953
flat angles P-C4'-P energy: -3.902
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: 10, replica: 10
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -197.027883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.027883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.035514 (E_RNA)
where:
Base-Base interactions energy: -141.720
where: short stacking energy: -57.164
Base-Backbone interact. energy: -0.003
local terms energy: -55.312523
where:
bonds (distance) C4'-P energy: -11.076
bonds (distance) P-C4' energy: -8.445
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -6.495
tors. eta vs tors. theta energy: -14.274
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: 1, replica: 6
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -243.004679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.004679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.004679 (E_RNA)
where:
Base-Base interactions energy: -178.448
where: short stacking energy: -68.652
Base-Backbone interact. energy: -0.216
local terms energy: -64.340668
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -4.542
tors. eta vs tors. theta energy: -18.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -217.354566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.354566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.434249 (E_RNA)
where:
Base-Base interactions energy: -151.108
where: short stacking energy: -63.133
Base-Backbone interact. energy: -0.002
local terms energy: -66.324323
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -18.588
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: 3
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -216.423112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.423112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.453788 (E_RNA)
where:
Base-Base interactions energy: -154.884
where: short stacking energy: -64.622
Base-Backbone interact. energy: -0.501
local terms energy: -61.068766
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -10.242
flat angles P-C4'-P energy: -4.961
tors. eta vs tors. theta energy: -16.040
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: 428
Temperature: 1.050000
Total energy: -220.442201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.442201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.514649 (E_RNA)
where:
Base-Base interactions energy: -164.825
where: short stacking energy: -61.070
Base-Backbone interact. energy: -0.007
local terms energy: -55.682132
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -9.344
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -6.385
tors. eta vs tors. theta energy: -12.918
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: 2
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -206.446093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.446093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.593265 (E_RNA)
where:
Base-Base interactions energy: -147.973
where: short stacking energy: -57.494
Base-Backbone interact. energy: -0.000
local terms energy: -58.620310
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -12.068
flat angles P-C4'-P energy: -5.361
tors. eta vs tors. theta energy: -14.815
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: 6, replica: 1
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -203.149132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.149132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.168161 (E_RNA)
where:
Base-Base interactions energy: -144.443
where: short stacking energy: -53.972
Base-Backbone interact. energy: -0.293
local terms energy: -58.432413
where:
bonds (distance) C4'-P energy: -8.409
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -7.738
tors. eta vs tors. theta energy: -15.241
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: 9
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -208.671648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.671648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.811389 (E_RNA)
where:
Base-Base interactions energy: -145.428
where: short stacking energy: -52.106
Base-Backbone interact. energy: -0.057
local terms energy: -63.326373
where:
bonds (distance) C4'-P energy: -10.520
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: -15.915
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: 5
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -204.355043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.355043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.397974 (E_RNA)
where:
Base-Base interactions energy: -145.678
where: short stacking energy: -62.027
Base-Backbone interact. energy: -0.001
local terms energy: -58.718858
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -7.529
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -5.608
tors. eta vs tors. theta energy: -17.064
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: 10
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -204.835440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.835440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.940524 (E_RNA)
where:
Base-Base interactions energy: -154.517
where: short stacking energy: -59.332
Base-Backbone interact. energy: -0.428
local terms energy: -49.995316
where:
bonds (distance) C4'-P energy: -6.216
bonds (distance) P-C4' energy: -10.521
flat angles C4'-P-C4' energy: -11.651
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: -13.886
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: 10, replica: 4
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -199.614700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.614700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.671686 (E_RNA)
where:
Base-Base interactions energy: -134.165
where: short stacking energy: -49.249
Base-Backbone interact. energy: -0.098
local terms energy: -65.408832
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -14.662
flat angles C4'-P-C4' energy: -11.534
flat angles P-C4'-P energy: -11.593
tors. eta vs tors. theta energy: -12.804
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: 6
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -226.063484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.063484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.204122 (E_RNA)
where:
Base-Base interactions energy: -162.381
where: short stacking energy: -63.656
Base-Backbone interact. energy: -0.005
local terms energy: -63.818175
where:
bonds (distance) C4'-P energy: -12.306
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -6.399
tors. eta vs tors. theta energy: -15.239
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: 3
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -221.336821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.336821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.345593 (E_RNA)
where:
Base-Base interactions energy: -164.029
where: short stacking energy: -70.129
Base-Backbone interact. energy: -0.000
local terms energy: -57.316744
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -11.157
flat angles C4'-P-C4' energy: -10.787
flat angles P-C4'-P energy: -4.378
tors. eta vs tors. theta energy: -15.653
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: 429
Temperature: 1.000000
Total energy: -221.463838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.463838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.552601 (E_RNA)
where:
Base-Base interactions energy: -162.703
where: short stacking energy: -67.506
Base-Backbone interact. energy: 0.082
local terms energy: -58.932144
where:
bonds (distance) C4'-P energy: -9.908
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -14.639
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: 7
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -219.110925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.110925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.110925 (E_RNA)
where:
Base-Base interactions energy: -167.004
where: short stacking energy: -65.637
Base-Backbone interact. energy: -0.004
local terms energy: -52.103284
where:
bonds (distance) C4'-P energy: -6.547
bonds (distance) P-C4' energy: -12.693
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -4.507
tors. eta vs tors. theta energy: -15.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -210.515101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.515101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.553850 (E_RNA)
where:
Base-Base interactions energy: -152.860
where: short stacking energy: -61.077
Base-Backbone interact. energy: -0.001
local terms energy: -57.693712
where:
bonds (distance) C4'-P energy: -10.189
bonds (distance) P-C4' energy: -10.787
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: -15.214
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: 6, replica: 1
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -208.317643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.317643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.317643 (E_RNA)
where:
Base-Base interactions energy: -151.620
where: short stacking energy: -57.975
Base-Backbone interact. energy: -0.019
local terms energy: -56.677938
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -9.023
flat angles C4'-P-C4' energy: -12.424
flat angles P-C4'-P energy: -5.992
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: 7, replica: 9
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -200.259744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.259744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.261140 (E_RNA)
where:
Base-Base interactions energy: -149.228
where: short stacking energy: -58.901
Base-Backbone interact. energy: 0.002
local terms energy: -51.035016
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -9.751
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -1.645
tors. eta vs tors. theta energy: -15.500
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: 10
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -195.197346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.197346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.197346 (E_RNA)
where:
Base-Base interactions energy: -138.575
where: short stacking energy: -56.336
Base-Backbone interact. energy: -0.003
local terms energy: -56.619547
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -7.489
flat angles C4'-P-C4' energy: -11.741
flat angles P-C4'-P energy: -7.650
tors. eta vs tors. theta energy: -17.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -199.572471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.572471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.812293 (E_RNA)
where:
Base-Base interactions energy: -135.911
where: short stacking energy: -58.005
Base-Backbone interact. energy: -0.000
local terms energy: -63.900854
where:
bonds (distance) C4'-P energy: -9.242
bonds (distance) P-C4' energy: -16.010
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -15.761
Dist. restrs. and SS energy: 0.240 (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: 429
Temperature: 1.350000
Total energy: -191.733125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.733125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.164423 (E_RNA)
where:
Base-Base interactions energy: -137.484
where: short stacking energy: -56.474
Base-Backbone interact. energy: -0.377
local terms energy: -54.303605
where:
bonds (distance) C4'-P energy: -9.884
bonds (distance) P-C4' energy: -9.893
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -7.132
tors. eta vs tors. theta energy: -15.471
Dist. restrs. and SS energy: 0.431 (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: 6
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -237.349877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.349877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.417562 (E_RNA)
where:
Base-Base interactions energy: -172.801
where: short stacking energy: -74.990
Base-Backbone interact. energy: -1.391
local terms energy: -63.225488
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -4.999
tors. eta vs tors. theta energy: -17.802
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: 430
Temperature: 0.950000
Total energy: -227.847972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.847972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.878031 (E_RNA)
where:
Base-Base interactions energy: -163.771
where: short stacking energy: -64.774
Base-Backbone interact. energy: -0.000
local terms energy: -64.106670
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -11.008
flat angles C4'-P-C4' energy: -16.914
flat angles P-C4'-P energy: -7.074
tors. eta vs tors. theta energy: -16.288
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: 7
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -218.578981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.578981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.620342 (E_RNA)
where:
Base-Base interactions energy: -160.988
where: short stacking energy: -63.542
Base-Backbone interact. energy: -0.049
local terms energy: -57.583528
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -10.191
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -3.353
tors. eta vs tors. theta energy: -19.549
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: 8
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -217.153705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.153705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.194164 (E_RNA)
where:
Base-Base interactions energy: -151.282
where: short stacking energy: -65.947
Base-Backbone interact. energy: -0.037
local terms energy: -65.875061
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -7.450
tors. eta vs tors. theta energy: -17.868
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: 1
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -215.303948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.303948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.320731 (E_RNA)
where:
Base-Base interactions energy: -150.052
where: short stacking energy: -65.898
Base-Backbone interact. energy: -0.000
local terms energy: -65.268578
where:
bonds (distance) C4'-P energy: -14.375
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -10.152
flat angles P-C4'-P energy: -7.347
tors. eta vs tors. theta energy: -17.846
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: 2
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -205.166450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.166450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.250997 (E_RNA)
where:
Base-Base interactions energy: -149.957
where: short stacking energy: -56.966
Base-Backbone interact. energy: -0.609
local terms energy: -54.684675
where:
bonds (distance) C4'-P energy: -4.193
bonds (distance) P-C4' energy: -12.934
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -14.809
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: 7, replica: 10
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -202.576880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.576880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.576880 (E_RNA)
where:
Base-Base interactions energy: -142.907
where: short stacking energy: -59.047
Base-Backbone interact. energy: -0.118
local terms energy: -59.551996
where:
bonds (distance) C4'-P energy: -10.111
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -6.325
tors. eta vs tors. theta energy: -14.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -194.406798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.406798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.595722 (E_RNA)
where:
Base-Base interactions energy: -135.906
where: short stacking energy: -49.792
Base-Backbone interact. energy: -0.001
local terms energy: -58.688929
where:
bonds (distance) C4'-P energy: -8.066
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -13.839
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: 9, replica: 4
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -203.502253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.502253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.636944 (E_RNA)
where:
Base-Base interactions energy: -140.382
where: short stacking energy: -62.273
Base-Backbone interact. energy: -0.001
local terms energy: -63.253761
where:
bonds (distance) C4'-P energy: -8.848
bonds (distance) P-C4' energy: -13.337
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -16.935
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: 10, replica: 5
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -198.509492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.509492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.668444 (E_RNA)
where:
Base-Base interactions energy: -132.713
where: short stacking energy: -54.173
Base-Backbone interact. energy: -0.013
local terms energy: -65.941891
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -11.451
flat angles P-C4'-P energy: -8.092
tors. eta vs tors. theta energy: -15.068
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: 1, replica: 6
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -228.689957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.689957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.698728 (E_RNA)
where:
Base-Base interactions energy: -166.063
where: short stacking energy: -65.481
Base-Backbone interact. energy: 0.418
local terms energy: -63.054076
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -13.067
flat angles P-C4'-P energy: -6.592
tors. eta vs tors. theta energy: -15.901
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: 3
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -231.558269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.558269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.573840 (E_RNA)
where:
Base-Base interactions energy: -163.628
where: short stacking energy: -68.519
Base-Backbone interact. energy: 0.386
local terms energy: -68.331105
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -6.670
tors. eta vs tors. theta energy: -19.357
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: 7
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -220.722311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.722311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.722311 (E_RNA)
where:
Base-Base interactions energy: -160.897
where: short stacking energy: -64.387
Base-Backbone interact. energy: -0.002
local terms energy: -59.823658
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -14.562
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -4.138
tors. eta vs tors. theta energy: -15.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -216.247374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.247374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.300014 (E_RNA)
where:
Base-Base interactions energy: -146.181
where: short stacking energy: -64.768
Base-Backbone interact. energy: -0.000
local terms energy: -70.118452
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -11.498
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -19.558
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: 431
Temperature: 1.100000
Total energy: -208.007206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.007206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.065618 (E_RNA)
where:
Base-Base interactions energy: -144.335
where: short stacking energy: -59.557
Base-Backbone interact. energy: 0.030
local terms energy: -63.760959
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -10.987
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: -15.695
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: 10
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -202.613326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.613326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.760790 (E_RNA)
where:
Base-Base interactions energy: -137.922
where: short stacking energy: -56.831
Base-Backbone interact. energy: -0.005
local terms energy: -64.834424
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -11.406
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -15.723
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: 7, replica: 2
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -203.215489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.215489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.267980 (E_RNA)
where:
Base-Base interactions energy: -143.694
where: short stacking energy: -58.013
Base-Backbone interact. energy: -0.004
local terms energy: -59.570703
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -5.744
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -15.575
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: 431
Temperature: 1.250000
Total energy: -201.033814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.033814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.211574 (E_RNA)
where:
Base-Base interactions energy: -137.410
where: short stacking energy: -54.272
Base-Backbone interact. energy: 0.107
local terms energy: -63.909277
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -13.082
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: 9
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -193.322798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.322798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.469270 (E_RNA)
where:
Base-Base interactions energy: -134.156
where: short stacking energy: -50.587
Base-Backbone interact. energy: -0.657
local terms energy: -58.655931
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -8.043
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -14.865
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: 5
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -192.273928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.273928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.379267 (E_RNA)
where:
Base-Base interactions energy: -134.828
where: short stacking energy: -55.726
Base-Backbone interact. energy: -0.281
local terms energy: -57.270269
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -12.330
flat angles C4'-P-C4' energy: -11.343
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -12.468
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: 6
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -227.686826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.686826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.733647 (E_RNA)
where:
Base-Base interactions energy: -162.503
where: short stacking energy: -68.970
Base-Backbone interact. energy: -0.001
local terms energy: -65.230253
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -4.751
tors. eta vs tors. theta energy: -17.348
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: 432
Temperature: 0.950000
Total energy: -220.803924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.803924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.803924 (E_RNA)
where:
Base-Base interactions energy: -153.369
where: short stacking energy: -63.930
Base-Backbone interact. energy: -0.002
local terms energy: -67.433088
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -12.496
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -16.203
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -211.365818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.365818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.366775 (E_RNA)
where:
Base-Base interactions energy: -142.766
where: short stacking energy: -54.604
Base-Backbone interact. energy: -0.069
local terms energy: -68.531675
where:
bonds (distance) C4'-P energy: -11.853
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -15.650
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: 1
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -224.167816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.167816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.179677 (E_RNA)
where:
Base-Base interactions energy: -168.485
where: short stacking energy: -70.758
Base-Backbone interact. energy: 0.008
local terms energy: -55.702483
where:
bonds (distance) C4'-P energy: -10.119
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -2.336
tors. eta vs tors. theta energy: -16.122
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: 10
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -197.215426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.215426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.287435 (E_RNA)
where:
Base-Base interactions energy: -141.019
where: short stacking energy: -56.505
Base-Backbone interact. energy: -0.010
local terms energy: -56.258169
where:
bonds (distance) C4'-P energy: -10.971
bonds (distance) P-C4' energy: -11.218
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -5.390
tors. eta vs tors. theta energy: -14.723
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: 8
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -209.900837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.900837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.981019 (E_RNA)
where:
Base-Base interactions energy: -155.698
where: short stacking energy: -63.730
Base-Backbone interact. energy: -0.177
local terms energy: -54.106579
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: 1.123
tors. eta vs tors. theta energy: -16.107
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: 4
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -201.461548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.461548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.531039 (E_RNA)
where:
Base-Base interactions energy: -141.473
where: short stacking energy: -55.569
Base-Backbone interact. energy: -0.099
local terms energy: -59.958756
where:
bonds (distance) C4'-P energy: -11.190
bonds (distance) P-C4' energy: -11.610
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -13.289
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: 432
Temperature: 1.250000
Total energy: -204.625846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.625846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.626849 (E_RNA)
where:
Base-Base interactions energy: -150.795
where: short stacking energy: -65.120
Base-Backbone interact. energy: -0.000
local terms energy: -53.831797
where:
bonds (distance) C4'-P energy: -10.354
bonds (distance) P-C4' energy: -10.465
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -2.452
tors. eta vs tors. theta energy: -17.016
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: 432
Temperature: 1.300000
Total energy: -205.280183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.280183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.319315 (E_RNA)
where:
Base-Base interactions energy: -140.598
where: short stacking energy: -57.046
Base-Backbone interact. energy: -0.097
local terms energy: -64.624522
where:
bonds (distance) C4'-P energy: -12.586
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -15.248
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: 10, replica: 9
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -190.379125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.379125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.379125 (E_RNA)
where:
Base-Base interactions energy: -135.578
where: short stacking energy: -53.759
Base-Backbone interact. energy: -0.211
local terms energy: -54.590107
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -10.006
flat angles C4'-P-C4' energy: -11.985
flat angles P-C4'-P energy: -7.549
tors. eta vs tors. theta energy: -13.966
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: 1, replica: 6
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -218.861080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.861080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.945955 (E_RNA)
where:
Base-Base interactions energy: -149.836
where: short stacking energy: -64.425
Base-Backbone interact. energy: -0.002
local terms energy: -69.108620
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -12.818
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -17.363
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: 433
Temperature: 0.950000
Total energy: -220.732514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.732514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.758428 (E_RNA)
where:
Base-Base interactions energy: -148.655
where: short stacking energy: -61.608
Base-Backbone interact. energy: -0.041
local terms energy: -72.062029
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -16.734
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: 3
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -216.503779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.503779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.821864 (E_RNA)
where:
Base-Base interactions energy: -148.698
where: short stacking energy: -68.687
Base-Backbone interact. energy: -0.713
local terms energy: -67.410506
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -13.147
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -18.480
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: 4, replica: 1
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -229.393830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.393830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.400938 (E_RNA)
where:
Base-Base interactions energy: -167.809
where: short stacking energy: -66.268
Base-Backbone interact. energy: -0.131
local terms energy: -61.460789
where:
bonds (distance) C4'-P energy: -12.500
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -12.999
flat angles P-C4'-P energy: -5.270
tors. eta vs tors. theta energy: -15.642
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: 433
Temperature: 1.100000
Total energy: -203.180727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.180727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.361964 (E_RNA)
where:
Base-Base interactions energy: -140.137
where: short stacking energy: -51.125
Base-Backbone interact. energy: -0.055
local terms energy: -63.169761
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -12.319
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -13.312
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: 6, replica: 4
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -211.026309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.026309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.123152 (E_RNA)
where:
Base-Base interactions energy: -159.406
where: short stacking energy: -63.484
Base-Backbone interact. energy: -0.006
local terms energy: -51.710542
where:
bonds (distance) C4'-P energy: -8.705
bonds (distance) P-C4' energy: -13.646
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -3.790
tors. eta vs tors. theta energy: -12.508
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: 8
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -200.732078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.732078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.919938 (E_RNA)
where:
Base-Base interactions energy: -142.563
where: short stacking energy: -58.786
Base-Backbone interact. energy: -0.069
local terms energy: -58.287595
where:
bonds (distance) C4'-P energy: -9.619
bonds (distance) P-C4' energy: -10.345
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -13.061
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: 8, replica: 5
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -194.807044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.807044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.809504 (E_RNA)
where:
Base-Base interactions energy: -135.903
where: short stacking energy: -52.788
Base-Backbone interact. energy: -0.056
local terms energy: -58.850420
where:
bonds (distance) C4'-P energy: -8.278
bonds (distance) P-C4' energy: -9.378
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -18.343
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: 9, replica: 2
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -196.251895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.251895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.473187 (E_RNA)
where:
Base-Base interactions energy: -136.981
where: short stacking energy: -58.490
Base-Backbone interact. energy: -0.030
local terms energy: -59.462045
where:
bonds (distance) C4'-P energy: -8.514
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -12.187
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -14.209
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: 10, replica: 9
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -194.273989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.273989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.315859 (E_RNA)
where:
Base-Base interactions energy: -137.379
where: short stacking energy: -56.468
Base-Backbone interact. energy: -0.199
local terms energy: -56.738515
where:
bonds (distance) C4'-P energy: -8.154
bonds (distance) P-C4' energy: -13.588
flat angles C4'-P-C4' energy: -11.828
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -14.227
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: 434
Temperature: 0.900000
Total energy: -224.120453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.120453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.129430 (E_RNA)
where:
Base-Base interactions energy: -152.385
where: short stacking energy: -57.329
Base-Backbone interact. energy: 0.390
local terms energy: -72.134752
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: -16.982
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: 434
Temperature: 0.950000
Total energy: -212.663922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.663922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.682611 (E_RNA)
where:
Base-Base interactions energy: -157.346
where: short stacking energy: -63.529
Base-Backbone interact. energy: -0.063
local terms energy: -55.273407
where:
bonds (distance) C4'-P energy: -9.478
bonds (distance) P-C4' energy: -12.853
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -6.488
tors. eta vs tors. theta energy: -12.078
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: 1
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -230.102015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.102015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.102015 (E_RNA)
where:
Base-Base interactions energy: -167.529
where: short stacking energy: -65.897
Base-Backbone interact. energy: -0.333
local terms energy: -62.239606
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -15.992
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -2.467
tors. eta vs tors. theta energy: -15.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -214.026202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.026202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.141185 (E_RNA)
where:
Base-Base interactions energy: -156.232
where: short stacking energy: -61.041
Base-Backbone interact. energy: -0.574
local terms energy: -57.334575
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -13.142
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -2.075
tors. eta vs tors. theta energy: -15.835
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: 4
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -219.159141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.159141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.164275 (E_RNA)
where:
Base-Base interactions energy: -152.308
where: short stacking energy: -65.075
Base-Backbone interact. energy: -0.002
local terms energy: -66.854477
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -7.320
tors. eta vs tors. theta energy: -18.839
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: 10
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -206.359662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.359662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.463140 (E_RNA)
where:
Base-Base interactions energy: -143.210
where: short stacking energy: -59.195
Base-Backbone interact. energy: 1.046
local terms energy: -64.299702
where:
bonds (distance) C4'-P energy: -10.840
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -10.324
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -18.109
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: 8
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -198.401336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.401336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.408188 (E_RNA)
where:
Base-Base interactions energy: -139.794
where: short stacking energy: -55.173
Base-Backbone interact. energy: -0.406
local terms energy: -58.207683
where:
bonds (distance) C4'-P energy: -10.219
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -12.268
flat angles P-C4'-P energy: -6.365
tors. eta vs tors. theta energy: -16.971
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: 434
Temperature: 1.250000
Total energy: -204.667980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.667980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.710419 (E_RNA)
where:
Base-Base interactions energy: -143.469
where: short stacking energy: -59.144
Base-Backbone interact. energy: -0.050
local terms energy: -61.191303
where:
bonds (distance) C4'-P energy: -9.318
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: -15.140
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: 9
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -193.203712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.203712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.301882 (E_RNA)
where:
Base-Base interactions energy: -131.913
where: short stacking energy: -50.091
Base-Backbone interact. energy: -0.083
local terms energy: -61.306674
where:
bonds (distance) C4'-P energy: -11.634
bonds (distance) P-C4' energy: -11.848
flat angles C4'-P-C4' energy: -13.074
flat angles P-C4'-P energy: -11.515
tors. eta vs tors. theta energy: -13.235
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: 2
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -189.257176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.257176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.393252 (E_RNA)
where:
Base-Base interactions energy: -127.350
where: short stacking energy: -55.398
Base-Backbone interact. energy: -0.020
local terms energy: -62.023432
where:
bonds (distance) C4'-P energy: -10.807
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -15.464
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: 1, replica: 7
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -222.613631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.613631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.634177 (E_RNA)
where:
Base-Base interactions energy: -159.241
where: short stacking energy: -67.956
Base-Backbone interact. energy: -0.002
local terms energy: -63.390988
where:
bonds (distance) C4'-P energy: -7.598
bonds (distance) P-C4' energy: -13.142
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -17.953
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: 435
Temperature: 0.950000
Total energy: -230.158888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.158888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.223176 (E_RNA)
where:
Base-Base interactions energy: -165.732
where: short stacking energy: -65.496
Base-Backbone interact. energy: -1.493
local terms energy: -62.998062
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -10.597
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -6.138
tors. eta vs tors. theta energy: -17.455
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: 6
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -211.204606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.204606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.244747 (E_RNA)
where:
Base-Base interactions energy: -145.576
where: short stacking energy: -57.793
Base-Backbone interact. energy: -0.008
local terms energy: -65.660993
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -11.069
flat angles C4'-P-C4' energy: -11.551
flat angles P-C4'-P energy: -11.285
tors. eta vs tors. theta energy: -16.470
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: 3
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -214.816225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.816225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.897810 (E_RNA)
where:
Base-Base interactions energy: -158.088
where: short stacking energy: -62.207
Base-Backbone interact. energy: 2.229
local terms energy: -59.038615
where:
bonds (distance) C4'-P energy: -11.158
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -11.579
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: 4
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -208.716582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.716582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.738928 (E_RNA)
where:
Base-Base interactions energy: -140.015
where: short stacking energy: -58.741
Base-Backbone interact. energy: -0.002
local terms energy: -68.722019
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -15.819
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: 8
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -207.316191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.316191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.372261 (E_RNA)
where:
Base-Base interactions energy: -152.960
where: short stacking energy: -59.288
Base-Backbone interact. energy: -0.047
local terms energy: -54.365101
where:
bonds (distance) C4'-P energy: -9.300
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -10.781
flat angles P-C4'-P energy: -6.267
tors. eta vs tors. theta energy: -13.935
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: 10
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -201.609483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.609483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.691866 (E_RNA)
where:
Base-Base interactions energy: -141.125
where: short stacking energy: -56.809
Base-Backbone interact. energy: -0.008
local terms energy: -60.558857
where:
bonds (distance) C4'-P energy: -6.787
bonds (distance) P-C4' energy: -9.890
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -18.027
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: 8, replica: 9
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -200.727311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.727311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.082123 (E_RNA)
where:
Base-Base interactions energy: -141.421
where: short stacking energy: -60.774
Base-Backbone interact. energy: -0.046
local terms energy: -59.614556
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -6.640
tors. eta vs tors. theta energy: -14.437
Dist. restrs. and SS energy: 0.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -187.392756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.392756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.599992 (E_RNA)
where:
Base-Base interactions energy: -139.354
where: short stacking energy: -56.184
Base-Backbone interact. energy: -0.004
local terms energy: -48.242205
where:
bonds (distance) C4'-P energy: -5.473
bonds (distance) P-C4' energy: -6.501
flat angles C4'-P-C4' energy: -11.799
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -15.074
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: 10, replica: 2
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -190.786644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.786644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.830699 (E_RNA)
where:
Base-Base interactions energy: -131.242
where: short stacking energy: -50.486
Base-Backbone interact. energy: -0.009
local terms energy: -59.579558
where:
bonds (distance) C4'-P energy: -11.080
bonds (distance) P-C4' energy: -11.672
flat angles C4'-P-C4' energy: -11.819
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -15.678
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: 1
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -237.246228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.246228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.298036 (E_RNA)
where:
Base-Base interactions energy: -176.433
where: short stacking energy: -69.017
Base-Backbone interact. energy: 0.455
local terms energy: -61.320122
where:
bonds (distance) C4'-P energy: -10.562
bonds (distance) P-C4' energy: -12.318
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -4.402
tors. eta vs tors. theta energy: -18.477
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: 436
Temperature: 0.950000
Total energy: -219.079261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.079261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.101392 (E_RNA)
where:
Base-Base interactions energy: -153.270
where: short stacking energy: -68.077
Base-Backbone interact. energy: -0.012
local terms energy: -65.819668
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -11.750
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -17.725
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: 3
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -212.782981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.782981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.859740 (E_RNA)
where:
Base-Base interactions energy: -146.638
where: short stacking energy: -58.698
Base-Backbone interact. energy: -0.158
local terms energy: -66.063798
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: -12.081
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: 4, replica: 6
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -207.932806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.932806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.031549 (E_RNA)
where:
Base-Base interactions energy: -145.757
where: short stacking energy: -52.766
Base-Backbone interact. energy: -0.078
local terms energy: -62.197050
where:
bonds (distance) C4'-P energy: -11.162
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -11.130
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -14.947
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: 4
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -215.051682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.051682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.097512 (E_RNA)
where:
Base-Base interactions energy: -152.865
where: short stacking energy: -65.894
Base-Backbone interact. energy: -0.190
local terms energy: -62.042855
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -12.533
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -6.061
tors. eta vs tors. theta energy: -16.432
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: 8
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -211.505911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.505911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.516224 (E_RNA)
where:
Base-Base interactions energy: -149.582
where: short stacking energy: -61.798
Base-Backbone interact. energy: 0.225
local terms energy: -62.159094
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -13.972
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: 10
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -195.580285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.580285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.711546 (E_RNA)
where:
Base-Base interactions energy: -138.585
where: short stacking energy: -49.513
Base-Backbone interact. energy: -0.103
local terms energy: -57.023831
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -7.276
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -12.193
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: 9
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -196.597622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.597622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.667728 (E_RNA)
where:
Base-Base interactions energy: -137.877
where: short stacking energy: -54.628
Base-Backbone interact. energy: -0.163
local terms energy: -58.627679
where:
bonds (distance) C4'-P energy: -9.891
bonds (distance) P-C4' energy: -12.347
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -5.562
tors. eta vs tors. theta energy: -16.562
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: 9, replica: 2
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -198.484259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.484259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.541202 (E_RNA)
where:
Base-Base interactions energy: -146.811
where: short stacking energy: -55.629
Base-Backbone interact. energy: -0.165
local terms energy: -51.564767
where:
bonds (distance) C4'-P energy: -9.958
bonds (distance) P-C4' energy: -12.944
flat angles C4'-P-C4' energy: -11.351
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -8.237
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: 10, replica: 5
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -190.551606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.551606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.658111 (E_RNA)
where:
Base-Base interactions energy: -135.545
where: short stacking energy: -49.368
Base-Backbone interact. energy: -0.048
local terms energy: -55.064316
where:
bonds (distance) C4'-P energy: -9.777
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -10.858
flat angles P-C4'-P energy: -6.331
tors. eta vs tors. theta energy: -13.284
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: 1, replica: 1
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -235.988887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.988887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.033098 (E_RNA)
where:
Base-Base interactions energy: -167.104
where: short stacking energy: -70.166
Base-Backbone interact. energy: -0.012
local terms energy: -68.917470
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -11.717
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -17.977
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: 3
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -207.857701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.857701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.932190 (E_RNA)
where:
Base-Base interactions energy: -143.176
where: short stacking energy: -60.697
Base-Backbone interact. energy: -0.086
local terms energy: -64.670216
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -11.692
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: -14.520
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: 437
Temperature: 1.000000
Total energy: -211.235339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.235339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.284664 (E_RNA)
where:
Base-Base interactions energy: -148.590
where: short stacking energy: -59.715
Base-Backbone interact. energy: -0.153
local terms energy: -62.541861
where:
bonds (distance) C4'-P energy: -11.448
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -12.897
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: 4
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -210.684384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.684384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.724315 (E_RNA)
where:
Base-Base interactions energy: -142.483
where: short stacking energy: -55.523
Base-Backbone interact. energy: -0.156
local terms energy: -68.084886
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -12.456
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -17.227
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: 437
Temperature: 1.100000
Total energy: -210.025730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.025730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.066048 (E_RNA)
where:
Base-Base interactions energy: -146.841
where: short stacking energy: -60.304
Base-Backbone interact. energy: -0.023
local terms energy: -63.202771
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -11.290
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: -16.813
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: 10
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -200.916011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.916011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.941080 (E_RNA)
where:
Base-Base interactions energy: -143.498
where: short stacking energy: -55.640
Base-Backbone interact. energy: -0.229
local terms energy: -57.214309
where:
bonds (distance) C4'-P energy: -12.991
bonds (distance) P-C4' energy: -13.355
flat angles C4'-P-C4' energy: -9.927
flat angles P-C4'-P energy: -6.943
tors. eta vs tors. theta energy: -13.998
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: 8
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -199.586286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.586286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.598382 (E_RNA)
where:
Base-Base interactions energy: -142.580
where: short stacking energy: -60.548
Base-Backbone interact. energy: 0.430
local terms energy: -57.447691
where:
bonds (distance) C4'-P energy: -9.189
bonds (distance) P-C4' energy: -11.011
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -7.604
tors. eta vs tors. theta energy: -16.814
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: 437
Temperature: 1.250000
Total energy: -193.214339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.214339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.248601 (E_RNA)
where:
Base-Base interactions energy: -133.765
where: short stacking energy: -51.622
Base-Backbone interact. energy: -0.039
local terms energy: -59.444096
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -6.733
tors. eta vs tors. theta energy: -16.706
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: 2
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -196.807114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.807114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.871765 (E_RNA)
where:
Base-Base interactions energy: -134.445
where: short stacking energy: -57.673
Base-Backbone interact. energy: -0.102
local terms energy: -62.324657
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: -13.724
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: 10, replica: 5
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -200.993357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.993357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.000017 (E_RNA)
where:
Base-Base interactions energy: -138.562
where: short stacking energy: -56.028
Base-Backbone interact. energy: -0.386
local terms energy: -62.052627
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -10.419
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -5.790
tors. eta vs tors. theta energy: -16.318
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: 1, replica: 3
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -215.977897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.977897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.044523 (E_RNA)
where:
Base-Base interactions energy: -147.933
where: short stacking energy: -59.890
Base-Backbone interact. energy: -0.026
local terms energy: -68.085592
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -15.362
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: 438
Temperature: 0.950000
Total energy: -237.910285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.910285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.910285 (E_RNA)
where:
Base-Base interactions energy: -176.964
where: short stacking energy: -74.922
Base-Backbone interact. energy: -0.124
local terms energy: -60.821543
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -3.584
tors. eta vs tors. theta energy: -17.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -212.890856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.890856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.931557 (E_RNA)
where:
Base-Base interactions energy: -152.535
where: short stacking energy: -59.020
Base-Backbone interact. energy: 0.344
local terms energy: -60.740570
where:
bonds (distance) C4'-P energy: -11.857
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -10.849
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: -12.931
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: 4
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -217.205729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.205729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.239093 (E_RNA)
where:
Base-Base interactions energy: -154.640
where: short stacking energy: -61.021
Base-Backbone interact. energy: -0.320
local terms energy: -62.278763
where:
bonds (distance) C4'-P energy: -11.125
bonds (distance) P-C4' energy: -11.568
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -16.431
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: 10
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -207.883975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.883975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.955241 (E_RNA)
where:
Base-Base interactions energy: -147.132
where: short stacking energy: -56.799
Base-Backbone interact. energy: -0.724
local terms energy: -60.099974
where:
bonds (distance) C4'-P energy: -8.700
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -11.751
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -15.504
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: 6
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -206.354702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.354702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.535137 (E_RNA)
where:
Base-Base interactions energy: -144.888
where: short stacking energy: -57.796
Base-Backbone interact. energy: -0.026
local terms energy: -61.620990
where:
bonds (distance) C4'-P energy: -12.367
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -13.711
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -15.228
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: 7, replica: 9
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -209.960396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.960396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.105410 (E_RNA)
where:
Base-Base interactions energy: -142.952
where: short stacking energy: -59.951
Base-Backbone interact. energy: -0.001
local terms energy: -67.152452
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -12.232
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -14.528
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: 8, replica: 8
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -201.543224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.543224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.561974 (E_RNA)
where:
Base-Base interactions energy: -139.804
where: short stacking energy: -52.587
Base-Backbone interact. energy: -0.091
local terms energy: -61.667051
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -11.407
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -14.138
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: 438
Temperature: 1.300000
Total energy: -194.422056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.422056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.428973 (E_RNA)
where:
Base-Base interactions energy: -136.671
where: short stacking energy: -50.422
Base-Backbone interact. energy: -0.148
local terms energy: -57.610018
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -4.924
tors. eta vs tors. theta energy: -12.745
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: 2
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -190.461796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.461796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.683309 (E_RNA)
where:
Base-Base interactions energy: -129.789
where: short stacking energy: -50.947
Base-Backbone interact. energy: -0.244
local terms energy: -60.650693
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -13.192
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -5.967
tors. eta vs tors. theta energy: -13.591
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: 1, replica: 3
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -231.231680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.231680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.292239 (E_RNA)
where:
Base-Base interactions energy: -164.779
where: short stacking energy: -63.930
Base-Backbone interact. energy: -0.000
local terms energy: -66.512354
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -7.703
tors. eta vs tors. theta energy: -18.974
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: 1
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -231.162479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.162479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.167935 (E_RNA)
where:
Base-Base interactions energy: -170.336
where: short stacking energy: -70.103
Base-Backbone interact. energy: -0.001
local terms energy: -60.830456
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -1.213
tors. eta vs tors. theta energy: -18.910
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: 439
Temperature: 1.000000
Total energy: -205.379578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.379578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.456827 (E_RNA)
where:
Base-Base interactions energy: -139.285
where: short stacking energy: -56.416
Base-Backbone interact. energy: -0.039
local terms energy: -66.132808
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: -15.026
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: 4, replica: 4
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -209.656778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.656778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.660720 (E_RNA)
where:
Base-Base interactions energy: -143.773
where: short stacking energy: -58.665
Base-Backbone interact. energy: -0.012
local terms energy: -65.875211
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -11.572
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -17.771
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: 10
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -206.328758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.328758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.456933 (E_RNA)
where:
Base-Base interactions energy: -141.771
where: short stacking energy: -57.320
Base-Backbone interact. energy: -0.046
local terms energy: -64.639808
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -12.091
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -11.164
tors. eta vs tors. theta energy: -13.718
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: 9
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -201.672143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.672143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.699411 (E_RNA)
where:
Base-Base interactions energy: -140.936
where: short stacking energy: -59.063
Base-Backbone interact. energy: -0.017
local terms energy: -60.746783
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -7.149
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -15.444
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: 6
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -204.084040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.084040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.117420 (E_RNA)
where:
Base-Base interactions energy: -146.164
where: short stacking energy: -59.835
Base-Backbone interact. energy: -0.003
local terms energy: -57.950468
where:
bonds (distance) C4'-P energy: -10.637
bonds (distance) P-C4' energy: -9.746
flat angles C4'-P-C4' energy: -12.744
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -15.958
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: 8, replica: 5
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -200.257437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.257437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.294404 (E_RNA)
where:
Base-Base interactions energy: -144.200
where: short stacking energy: -53.537
Base-Backbone interact. energy: -0.098
local terms energy: -55.996490
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -11.145
flat angles C4'-P-C4' energy: -10.328
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: -14.614
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: 8
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -194.951635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.951635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.162336 (E_RNA)
where:
Base-Base interactions energy: -138.697
where: short stacking energy: -59.060
Base-Backbone interact. energy: -0.102
local terms energy: -56.363773
where:
bonds (distance) C4'-P energy: -8.687
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -9.027
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: -16.087
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: 2
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -194.162971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.162971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.213241 (E_RNA)
where:
Base-Base interactions energy: -137.543
where: short stacking energy: -56.413
Base-Backbone interact. energy: -0.002
local terms energy: -56.668187
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -7.621
flat angles C4'-P-C4' energy: -10.233
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -16.147
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: 1, replica: 1
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -236.669166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.669166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.755654 (E_RNA)
where:
Base-Base interactions energy: -174.046
where: short stacking energy: -73.300
Base-Backbone interact. energy: -0.007
local terms energy: -62.702782
where:
bonds (distance) C4'-P energy: -8.783
bonds (distance) P-C4' energy: -16.704
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -5.738
tors. eta vs tors. theta energy: -17.641
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: 3
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -222.109610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.109610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.298089 (E_RNA)
where:
Base-Base interactions energy: -153.118
where: short stacking energy: -62.603
Base-Backbone interact. energy: -0.102
local terms energy: -69.078142
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -17.648
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: 3, replica: 4
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -212.872539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.872539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.036754 (E_RNA)
where:
Base-Base interactions energy: -146.063
where: short stacking energy: -57.855
Base-Backbone interact. energy: -0.249
local terms energy: -66.725611
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -7.206
tors. eta vs tors. theta energy: -17.447
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: 4, replica: 7
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -222.813650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.813650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.185001 (E_RNA)
where:
Base-Base interactions energy: -160.437
where: short stacking energy: -64.016
Base-Backbone interact. energy: -0.030
local terms energy: -62.717661
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -4.982
tors. eta vs tors. theta energy: -15.373
Dist. restrs. and SS energy: 0.371 (S_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: 440
Temperature: 1.100000
Total energy: -210.307360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.307360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.407941 (E_RNA)
where:
Base-Base interactions energy: -146.823
where: short stacking energy: -62.816
Base-Backbone interact. energy: -0.206
local terms energy: -63.378938
where:
bonds (distance) C4'-P energy: -10.915
bonds (distance) P-C4' energy: -12.037
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -14.173
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: 6, replica: 10
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -202.060994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.060994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.066037 (E_RNA)
where:
Base-Base interactions energy: -143.268
where: short stacking energy: -55.784
Base-Backbone interact. energy: -0.283
local terms energy: -58.514835
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -10.656
flat angles P-C4'-P energy: -5.883
tors. eta vs tors. theta energy: -16.941
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: 5
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -200.257090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.257090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.358567 (E_RNA)
where:
Base-Base interactions energy: -137.394
where: short stacking energy: -59.002
Base-Backbone interact. energy: -0.008
local terms energy: -62.956706
where:
bonds (distance) C4'-P energy: -10.261
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -14.925
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: 6
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -201.128125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.128125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.469265 (E_RNA)
where:
Base-Base interactions energy: -148.020
where: short stacking energy: -62.051
Base-Backbone interact. energy: 0.481
local terms energy: -53.930849
where:
bonds (distance) C4'-P energy: -7.420
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -6.920
flat angles P-C4'-P energy: -8.159
tors. eta vs tors. theta energy: -16.871
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: 9, replica: 2
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -193.139360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.139360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.198841 (E_RNA)
where:
Base-Base interactions energy: -129.219
where: short stacking energy: -48.441
Base-Backbone interact. energy: -0.118
local terms energy: -63.862161
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -12.669
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: 10, replica: 8
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -197.986569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.986569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.064819 (E_RNA)
where:
Base-Base interactions energy: -128.663
where: short stacking energy: -49.808
Base-Backbone interact. energy: -0.004
local terms energy: -69.398191
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -10.848
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: -17.673
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: 1, replica: 1
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -230.534583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.534583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.564723 (E_RNA)
where:
Base-Base interactions energy: -173.131
where: short stacking energy: -71.305
Base-Backbone interact. energy: -0.028
local terms energy: -57.405905
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -10.910
flat angles C4'-P-C4' energy: -11.743
flat angles P-C4'-P energy: -1.970
tors. eta vs tors. theta energy: -18.623
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: 4
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -220.479686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.479686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.567134 (E_RNA)
where:
Base-Base interactions energy: -151.198
where: short stacking energy: -62.998
Base-Backbone interact. energy: -0.003
local terms energy: -69.366245
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: -17.675
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: 3, replica: 3
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -217.978263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.978263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.979251 (E_RNA)
where:
Base-Base interactions energy: -167.226
where: short stacking energy: -65.578
Base-Backbone interact. energy: -0.051
local terms energy: -50.702819
where:
bonds (distance) C4'-P energy: -10.686
bonds (distance) P-C4' energy: -10.774
flat angles C4'-P-C4' energy: -10.313
flat angles P-C4'-P energy: -1.741
tors. eta vs tors. theta energy: -17.188
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: 7
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -223.607711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.607711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.616814 (E_RNA)
where:
Base-Base interactions energy: -159.842
where: short stacking energy: -60.019
Base-Backbone interact. energy: -0.287
local terms energy: -63.488045
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -10.455
flat angles P-C4'-P energy: -7.983
tors. eta vs tors. theta energy: -17.293
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: 9
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -211.451465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.451465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.540371 (E_RNA)
where:
Base-Base interactions energy: -144.918
where: short stacking energy: -60.842
Base-Backbone interact. energy: -0.002
local terms energy: -66.620732
where:
bonds (distance) C4'-P energy: -10.745
bonds (distance) P-C4' energy: -12.099
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -17.406
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: 5
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -212.297534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.297534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.478013 (E_RNA)
where:
Base-Base interactions energy: -152.163
where: short stacking energy: -64.611
Base-Backbone interact. energy: -0.006
local terms energy: -60.308806
where:
bonds (distance) C4'-P energy: -9.060
bonds (distance) P-C4' energy: -16.218
flat angles C4'-P-C4' energy: -11.466
flat angles P-C4'-P energy: -4.954
tors. eta vs tors. theta energy: -18.611
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: 7, replica: 10
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -211.700073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.700073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.800844 (E_RNA)
where:
Base-Base interactions energy: -151.650
where: short stacking energy: -58.600
Base-Backbone interact. energy: -0.169
local terms energy: -59.981676
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -12.821
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -4.994
tors. eta vs tors. theta energy: -14.265
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: 2
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -207.824330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.824330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.840355 (E_RNA)
where:
Base-Base interactions energy: -147.420
where: short stacking energy: -55.959
Base-Backbone interact. energy: -0.110
local terms energy: -60.310536
where:
bonds (distance) C4'-P energy: -10.609
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -8.516
tors. eta vs tors. theta energy: -13.109
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: 6
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -192.685360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.685360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.911220 (E_RNA)
where:
Base-Base interactions energy: -132.529
where: short stacking energy: -51.285
Base-Backbone interact. energy: -0.054
local terms energy: -60.328521
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -13.404
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: 441
Temperature: 1.350000
Total energy: -197.653052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.653052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.750673 (E_RNA)
where:
Base-Base interactions energy: -137.213
where: short stacking energy: -58.592
Base-Backbone interact. energy: -0.330
local terms energy: -60.208279
where:
bonds (distance) C4'-P energy: -10.410
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -4.205
tors. eta vs tors. theta energy: -18.987
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: 1, replica: 1
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -234.060594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.060594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.115019 (E_RNA)
where:
Base-Base interactions energy: -168.771
where: short stacking energy: -71.017
Base-Backbone interact. energy: -0.021
local terms energy: -65.323310
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -7.147
tors. eta vs tors. theta energy: -16.881
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: 4
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -229.100015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.100015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.163850 (E_RNA)
where:
Base-Base interactions energy: -167.528
where: short stacking energy: -67.048
Base-Backbone interact. energy: -0.077
local terms energy: -61.559495
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -11.499
flat angles P-C4'-P energy: -7.254
tors. eta vs tors. theta energy: -16.954
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: 7
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -229.496226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.496226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.510726 (E_RNA)
where:
Base-Base interactions energy: -163.542
where: short stacking energy: -65.377
Base-Backbone interact. energy: -0.010
local terms energy: -65.959358
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -12.888
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -2.295
tors. eta vs tors. theta energy: -20.832
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: 442
Temperature: 1.050000
Total energy: -225.655390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.655390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.685786 (E_RNA)
where:
Base-Base interactions energy: -168.554
where: short stacking energy: -71.164
Base-Backbone interact. energy: -0.426
local terms energy: -56.706301
where:
bonds (distance) C4'-P energy: -9.468
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -11.186
flat angles P-C4'-P energy: -5.895
tors. eta vs tors. theta energy: -16.879
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: 9
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -208.067078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.067078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.093899 (E_RNA)
where:
Base-Base interactions energy: -139.201
where: short stacking energy: -58.278
Base-Backbone interact. energy: 0.688
local terms energy: -69.580285
where:
bonds (distance) C4'-P energy: -8.791
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -15.674
flat angles P-C4'-P energy: -12.956
tors. eta vs tors. theta energy: -18.695
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: 5
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -212.120232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.120232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.139354 (E_RNA)
where:
Base-Base interactions energy: -152.088
where: short stacking energy: -60.506
Base-Backbone interact. energy: -0.021
local terms energy: -60.030803
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -4.272
tors. eta vs tors. theta energy: -15.002
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: 2
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -204.190734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.190734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.418249 (E_RNA)
where:
Base-Base interactions energy: -145.751
where: short stacking energy: -59.910
Base-Backbone interact. energy: -0.805
local terms energy: -57.861930
where:
bonds (distance) C4'-P energy: -11.336
bonds (distance) P-C4' energy: -10.075
flat angles C4'-P-C4' energy: -11.944
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -14.623
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: 8, replica: 10
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -202.088788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.088788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.169713 (E_RNA)
where:
Base-Base interactions energy: -143.966
where: short stacking energy: -57.913
Base-Backbone interact. energy: -0.084
local terms energy: -58.119876
where:
bonds (distance) C4'-P energy: -11.197
bonds (distance) P-C4' energy: -8.853
flat angles C4'-P-C4' energy: -12.146
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -15.207
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: 8
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -195.434484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.434484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.561372 (E_RNA)
where:
Base-Base interactions energy: -141.493
where: short stacking energy: -57.667
Base-Backbone interact. energy: -0.299
local terms energy: -53.769874
where:
bonds (distance) C4'-P energy: -10.411
bonds (distance) P-C4' energy: -11.486
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -4.588
tors. eta vs tors. theta energy: -14.962
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: 10, replica: 6
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -193.484902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.484902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.584393 (E_RNA)
where:
Base-Base interactions energy: -132.297
where: short stacking energy: -54.852
Base-Backbone interact. energy: -0.001
local terms energy: -61.286623
where:
bonds (distance) C4'-P energy: -9.424
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: -14.158
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: 1
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -239.497272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.497272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.497272 (E_RNA)
where:
Base-Base interactions energy: -176.010
where: short stacking energy: -72.721
Base-Backbone interact. energy: -0.006
local terms energy: -63.480990
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -4.221
tors. eta vs tors. theta energy: -17.741
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: 4
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -230.178571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.178571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.178571 (E_RNA)
where:
Base-Base interactions energy: -168.751
where: short stacking energy: -61.455
Base-Backbone interact. energy: -0.034
local terms energy: -61.393638
where:
bonds (distance) C4'-P energy: -9.578
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -5.228
tors. eta vs tors. theta energy: -18.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -222.879334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.879334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.879334 (E_RNA)
where:
Base-Base interactions energy: -163.763
where: short stacking energy: -65.343
Base-Backbone interact. energy: -0.369
local terms energy: -58.747487
where:
bonds (distance) C4'-P energy: -14.093
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -11.066
flat angles P-C4'-P energy: -3.828
tors. eta vs tors. theta energy: -17.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -214.101731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.101731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.188486 (E_RNA)
where:
Base-Base interactions energy: -151.749
where: short stacking energy: -64.827
Base-Backbone interact. energy: -0.004
local terms energy: -62.435276
where:
bonds (distance) C4'-P energy: -10.377
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -11.248
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -18.081
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: 443
Temperature: 1.100000
Total energy: -204.196299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.196299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.250866 (E_RNA)
where:
Base-Base interactions energy: -143.452
where: short stacking energy: -58.754
Base-Backbone interact. energy: -0.106
local terms energy: -60.692152
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -11.749
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -15.820
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: 2
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -202.599497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.599497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.748699 (E_RNA)
where:
Base-Base interactions energy: -144.197
where: short stacking energy: -59.382
Base-Backbone interact. energy: -0.417
local terms energy: -58.135351
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -8.670
flat angles C4'-P-C4' energy: -10.536
flat angles P-C4'-P energy: -11.673
tors. eta vs tors. theta energy: -12.389
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: 7, replica: 5
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -193.407442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.407442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.556006 (E_RNA)
where:
Base-Base interactions energy: -137.312
where: short stacking energy: -51.536
Base-Backbone interact. energy: -0.005
local terms energy: -56.238708
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -7.763
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -11.979
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: 8
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -198.015011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.015011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.021838 (E_RNA)
where:
Base-Base interactions energy: -136.643
where: short stacking energy: -51.932
Base-Backbone interact. energy: 0.074
local terms energy: -61.452948
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -10.909
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -14.109
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: 10
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -196.426799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.426799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.471567 (E_RNA)
where:
Base-Base interactions energy: -143.599
where: short stacking energy: -54.517
Base-Backbone interact. energy: -0.013
local terms energy: -52.859339
where:
bonds (distance) C4'-P energy: -8.835
bonds (distance) P-C4' energy: -9.649
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -5.777
tors. eta vs tors. theta energy: -13.577
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: 10, replica: 6
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -186.731126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.731126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.257130 (E_RNA)
where:
Base-Base interactions energy: -122.788
where: short stacking energy: -46.598
Base-Backbone interact. energy: -0.091
local terms energy: -64.378735
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -15.774
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -9.913
Dist. restrs. and SS energy: 0.526 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -217.811483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.811483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.821584 (E_RNA)
where:
Base-Base interactions energy: -150.789
where: short stacking energy: -59.661
Base-Backbone interact. energy: -0.000
local terms energy: -67.031947
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -6.171
tors. eta vs tors. theta energy: -16.449
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: 2, replica: 1
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -230.384945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.384945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.475584 (E_RNA)
where:
Base-Base interactions energy: -166.337
where: short stacking energy: -66.767
Base-Backbone interact. energy: -0.052
local terms energy: -64.086136
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -3.623
tors. eta vs tors. theta energy: -16.459
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: 9
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -214.964621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.964621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.971927 (E_RNA)
where:
Base-Base interactions energy: -144.797
where: short stacking energy: -59.812
Base-Backbone interact. energy: -0.161
local terms energy: -70.014362
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -17.652
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: 7
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -211.027600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.027600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.027600 (E_RNA)
where:
Base-Base interactions energy: -143.993
where: short stacking energy: -58.876
Base-Backbone interact. energy: -0.002
local terms energy: -67.033258
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -17.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -204.549979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.549979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.566378 (E_RNA)
where:
Base-Base interactions energy: -142.412
where: short stacking energy: -56.219
Base-Backbone interact. energy: -0.045
local terms energy: -62.108453
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -10.948
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -8.460
tors. eta vs tors. theta energy: -15.183
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: 3
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -202.838943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.838943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.852857 (E_RNA)
where:
Base-Base interactions energy: -152.219
where: short stacking energy: -59.702
Base-Backbone interact. energy: -0.001
local terms energy: -50.633562
where:
bonds (distance) C4'-P energy: -10.091
bonds (distance) P-C4' energy: -9.466
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -6.209
tors. eta vs tors. theta energy: -10.296
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: 8
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -211.790720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.790720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.793317 (E_RNA)
where:
Base-Base interactions energy: -154.178
where: short stacking energy: -63.940
Base-Backbone interact. energy: -0.023
local terms energy: -57.591815
where:
bonds (distance) C4'-P energy: -10.724
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -5.644
tors. eta vs tors. theta energy: -14.539
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: 444
Temperature: 1.250000
Total energy: -195.116009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.116009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.242045 (E_RNA)
where:
Base-Base interactions energy: -136.056
where: short stacking energy: -53.118
Base-Backbone interact. energy: -0.044
local terms energy: -59.142001
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -8.967
flat angles C4'-P-C4' energy: -12.202
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -14.758
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: 6
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -199.140989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.140989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.354672 (E_RNA)
where:
Base-Base interactions energy: -136.561
where: short stacking energy: -55.666
Base-Backbone interact. energy: -0.207
local terms energy: -62.586622
where:
bonds (distance) C4'-P energy: -11.897
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -6.479
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: 10, replica: 10
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -195.332567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.332567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.388977 (E_RNA)
where:
Base-Base interactions energy: -137.514
where: short stacking energy: -53.839
Base-Backbone interact. energy: -0.412
local terms energy: -57.463249
where:
bonds (distance) C4'-P energy: -9.083
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -13.106
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -10.866
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: 4
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -218.412547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.412547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.453614 (E_RNA)
where:
Base-Base interactions energy: -156.234
where: short stacking energy: -63.629
Base-Backbone interact. energy: 0.507
local terms energy: -62.727119
where:
bonds (distance) C4'-P energy: -10.484
bonds (distance) P-C4' energy: -12.220
flat angles C4'-P-C4' energy: -13.725
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -15.368
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: 1
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -226.139639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.139639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.186242 (E_RNA)
where:
Base-Base interactions energy: -164.141
where: short stacking energy: -66.791
Base-Backbone interact. energy: -0.007
local terms energy: -62.038245
where:
bonds (distance) C4'-P energy: -10.769
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -5.280
tors. eta vs tors. theta energy: -17.396
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: 445
Temperature: 1.000000
Total energy: -224.068162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.068162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.146163 (E_RNA)
where:
Base-Base interactions energy: -171.045
where: short stacking energy: -67.759
Base-Backbone interact. energy: -0.000
local terms energy: -53.100556
where:
bonds (distance) C4'-P energy: -9.942
bonds (distance) P-C4' energy: -9.993
flat angles C4'-P-C4' energy: -10.897
flat angles P-C4'-P energy: -7.084
tors. eta vs tors. theta energy: -15.185
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: 4, replica: 2
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -219.393877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.393877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.406042 (E_RNA)
where:
Base-Base interactions energy: -163.416
where: short stacking energy: -63.249
Base-Backbone interact. energy: -0.774
local terms energy: -55.215867
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -10.992
flat angles C4'-P-C4' energy: -9.609
flat angles P-C4'-P energy: -3.502
tors. eta vs tors. theta energy: -17.224
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: 7
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -209.291150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.291150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.291150 (E_RNA)
where:
Base-Base interactions energy: -144.817
where: short stacking energy: -58.704
Base-Backbone interact. energy: -0.009
local terms energy: -64.465742
where:
bonds (distance) C4'-P energy: -10.443
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -16.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -206.251282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.251282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.466725 (E_RNA)
where:
Base-Base interactions energy: -141.869
where: short stacking energy: -58.464
Base-Backbone interact. energy: -0.116
local terms energy: -64.481619
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -14.784
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: 3
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -197.654477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.654477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.669598 (E_RNA)
where:
Base-Base interactions energy: -138.028
where: short stacking energy: -52.562
Base-Backbone interact. energy: -0.004
local terms energy: -59.637816
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -11.453
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -13.979
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: 445
Temperature: 1.250000
Total energy: -205.353472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.353472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.478098 (E_RNA)
where:
Base-Base interactions energy: -145.468
where: short stacking energy: -57.422
Base-Backbone interact. energy: -0.303
local terms energy: -59.707626
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -8.551
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -12.514
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: 9, replica: 6
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -194.195720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.195720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.267471 (E_RNA)
where:
Base-Base interactions energy: -137.685
where: short stacking energy: -56.062
Base-Backbone interact. energy: -0.003
local terms energy: -56.578834
where:
bonds (distance) C4'-P energy: -10.170
bonds (distance) P-C4' energy: -13.090
flat angles C4'-P-C4' energy: -8.559
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -15.673
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: 10
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -188.823835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.823835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.198587 (E_RNA)
where:
Base-Base interactions energy: -135.117
where: short stacking energy: -55.636
Base-Backbone interact. energy: -0.589
local terms energy: -53.492355
where:
bonds (distance) C4'-P energy: -7.591
bonds (distance) P-C4' energy: -13.224
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -6.104
tors. eta vs tors. theta energy: -11.517
Dist. restrs. and SS energy: 0.375 (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: 4
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -226.944971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.944971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.951942 (E_RNA)
where:
Base-Base interactions energy: -170.429
where: short stacking energy: -69.274
Base-Backbone interact. energy: -0.001
local terms energy: -56.522005
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -12.736
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -4.959
tors. eta vs tors. theta energy: -13.150
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: 1
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -218.966089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.966089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.973161 (E_RNA)
where:
Base-Base interactions energy: -151.187
where: short stacking energy: -61.867
Base-Backbone interact. energy: -0.399
local terms energy: -67.386529
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -14.572
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: 2
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -222.865620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.865620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.126243 (E_RNA)
where:
Base-Base interactions energy: -164.226
where: short stacking energy: -64.607
Base-Backbone interact. energy: -0.019
local terms energy: -58.881199
where:
bonds (distance) C4'-P energy: -11.014
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -12.180
flat angles P-C4'-P energy: -5.026
tors. eta vs tors. theta energy: -16.203
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: 4, replica: 9
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -221.569406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.569406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.572730 (E_RNA)
where:
Base-Base interactions energy: -161.016
where: short stacking energy: -60.335
Base-Backbone interact. energy: -0.043
local terms energy: -60.513547
where:
bonds (distance) C4'-P energy: -10.866
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -4.769
tors. eta vs tors. theta energy: -17.626
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: 446
Temperature: 1.100000
Total energy: -206.498801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.498801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.635605 (E_RNA)
where:
Base-Base interactions energy: -149.309
where: short stacking energy: -62.335
Base-Backbone interact. energy: -0.063
local terms energy: -57.263591
where:
bonds (distance) C4'-P energy: -9.222
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -10.949
flat angles P-C4'-P energy: -5.872
tors. eta vs tors. theta energy: -17.005
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: 7
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -213.419439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.419439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.445348 (E_RNA)
where:
Base-Base interactions energy: -149.753
where: short stacking energy: -60.849
Base-Backbone interact. energy: 0.456
local terms energy: -64.148461
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -11.316
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: -16.590
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: 5
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -205.009598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.009598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.156525 (E_RNA)
where:
Base-Base interactions energy: -149.757
where: short stacking energy: -62.761
Base-Backbone interact. energy: -0.581
local terms energy: -54.819039
where:
bonds (distance) C4'-P energy: -11.030
bonds (distance) P-C4' energy: -10.831
flat angles C4'-P-C4' energy: -11.632
flat angles P-C4'-P energy: -7.392
tors. eta vs tors. theta energy: -13.934
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: 8, replica: 3
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -199.482971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.482971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.542691 (E_RNA)
where:
Base-Base interactions energy: -141.240
where: short stacking energy: -59.745
Base-Backbone interact. energy: -0.013
local terms energy: -58.289996
where:
bonds (distance) C4'-P energy: -8.145
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -11.507
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: -16.924
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: 10
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -191.518722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.518722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.636744 (E_RNA)
where:
Base-Base interactions energy: -135.227
where: short stacking energy: -50.573
Base-Backbone interact. energy: 0.250
local terms energy: -56.660338
where:
bonds (distance) C4'-P energy: -11.419
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -8.362
flat angles P-C4'-P energy: -5.518
tors. eta vs tors. theta energy: -15.111
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: 6
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -199.275514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.275514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.308598 (E_RNA)
where:
Base-Base interactions energy: -142.936
where: short stacking energy: -55.947
Base-Backbone interact. energy: -0.034
local terms energy: -56.338793
where:
bonds (distance) C4'-P energy: -10.381
bonds (distance) P-C4' energy: -12.023
flat angles C4'-P-C4' energy: -10.673
flat angles P-C4'-P energy: -7.314
tors. eta vs tors. theta energy: -15.947
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: 4
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -219.594825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.594825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.625514 (E_RNA)
where:
Base-Base interactions energy: -149.880
where: short stacking energy: -64.393
Base-Backbone interact. energy: -0.001
local terms energy: -69.743914
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -17.909
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: 447
Temperature: 0.950000
Total energy: -222.919679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.919679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.919679 (E_RNA)
where:
Base-Base interactions energy: -163.312
where: short stacking energy: -63.914
Base-Backbone interact. energy: -0.052
local terms energy: -59.555356
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -4.891
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: 3, replica: 1
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -209.221014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.221014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.315357 (E_RNA)
where:
Base-Base interactions energy: -145.281
where: short stacking energy: -58.548
Base-Backbone interact. energy: -0.387
local terms energy: -63.647083
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -11.777
flat angles P-C4'-P energy: -7.442
tors. eta vs tors. theta energy: -16.439
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: 4, replica: 8
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -210.097132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.097132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.123750 (E_RNA)
where:
Base-Base interactions energy: -148.695
where: short stacking energy: -54.230
Base-Backbone interact. energy: -0.100
local terms energy: -61.328519
where:
bonds (distance) C4'-P energy: -11.500
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -13.661
flat angles P-C4'-P energy: -6.367
tors. eta vs tors. theta energy: -15.486
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: 5, replica: 9
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -210.519069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.519069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.519069 (E_RNA)
where:
Base-Base interactions energy: -146.800
where: short stacking energy: -58.436
Base-Backbone interact. energy: -0.057
local terms energy: -63.662171
where:
bonds (distance) C4'-P energy: -8.593
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -15.955
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -205.351685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.351685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.574848 (E_RNA)
where:
Base-Base interactions energy: -138.948
where: short stacking energy: -55.398
Base-Backbone interact. energy: -0.080
local terms energy: -66.546134
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -6.683
tors. eta vs tors. theta energy: -17.346
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: 7, replica: 7
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -201.867593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.867593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.867593 (E_RNA)
where:
Base-Base interactions energy: -144.309
where: short stacking energy: -55.544
Base-Backbone interact. energy: 0.041
local terms energy: -57.599900
where:
bonds (distance) C4'-P energy: -11.114
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -12.891
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -12.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -199.095988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.095988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.133335 (E_RNA)
where:
Base-Base interactions energy: -133.019
where: short stacking energy: -50.210
Base-Backbone interact. energy: -0.235
local terms energy: -65.879838
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -14.708
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: 10
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -204.090031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.090031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.146572 (E_RNA)
where:
Base-Base interactions energy: -145.241
where: short stacking energy: -57.866
Base-Backbone interact. energy: -0.050
local terms energy: -58.855104
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -8.374
flat angles C4'-P-C4' energy: -11.629
flat angles P-C4'-P energy: -9.932
tors. eta vs tors. theta energy: -14.524
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: 10, replica: 6
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -179.121578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.121578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.352962 (E_RNA)
where:
Base-Base interactions energy: -126.897
where: short stacking energy: -48.352
Base-Backbone interact. energy: -0.070
local terms energy: -52.386306
where:
bonds (distance) C4'-P energy: -10.426
bonds (distance) P-C4' energy: -10.610
flat angles C4'-P-C4' energy: -11.777
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -10.577
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: 1, replica: 2
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -235.378533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.378533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.445440 (E_RNA)
where:
Base-Base interactions energy: -171.433
where: short stacking energy: -66.658
Base-Backbone interact. energy: -0.004
local terms energy: -64.008270
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -3.745
tors. eta vs tors. theta energy: -18.002
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: 4
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -212.448923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.448923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.508649 (E_RNA)
where:
Base-Base interactions energy: -146.486
where: short stacking energy: -61.409
Base-Backbone interact. energy: -0.522
local terms energy: -65.500783
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -10.971
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -16.224
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: 8
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -220.135839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.135839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.227761 (E_RNA)
where:
Base-Base interactions energy: -161.352
where: short stacking energy: -65.275
Base-Backbone interact. energy: -0.266
local terms energy: -58.609689
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -10.644
flat angles P-C4'-P energy: -5.560
tors. eta vs tors. theta energy: -17.125
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: 1
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -205.450863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.450863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.462320 (E_RNA)
where:
Base-Base interactions energy: -144.295
where: short stacking energy: -56.484
Base-Backbone interact. energy: -0.008
local terms energy: -61.158607
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -8.453
tors. eta vs tors. theta energy: -15.575
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: 9
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -207.170834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.170834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.172236 (E_RNA)
where:
Base-Base interactions energy: -150.130
where: short stacking energy: -63.109
Base-Backbone interact. energy: -0.034
local terms energy: -57.008116
where:
bonds (distance) C4'-P energy: -8.025
bonds (distance) P-C4' energy: -5.780
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -16.785
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: 5
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -212.150582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.150582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.169276 (E_RNA)
where:
Base-Base interactions energy: -153.032
where: short stacking energy: -59.828
Base-Backbone interact. energy: -0.042
local terms energy: -59.094871
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -10.563
flat angles C4'-P-C4' energy: -9.636
flat angles P-C4'-P energy: -5.690
tors. eta vs tors. theta energy: -18.918
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: 3
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -206.772241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.772241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.772241 (E_RNA)
where:
Base-Base interactions energy: -146.568
where: short stacking energy: -59.160
Base-Backbone interact. energy: -0.000
local terms energy: -60.203503
where:
bonds (distance) C4'-P energy: -12.470
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -10.434
flat angles P-C4'-P energy: -5.404
tors. eta vs tors. theta energy: -17.576
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -195.250194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.250194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.250194 (E_RNA)
where:
Base-Base interactions energy: -141.195
where: short stacking energy: -55.734
Base-Backbone interact. energy: 1.470
local terms energy: -55.525876
where:
bonds (distance) C4'-P energy: -8.496
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -8.846
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -14.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -200.695798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.695798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.700782 (E_RNA)
where:
Base-Base interactions energy: -145.372
where: short stacking energy: -59.001
Base-Backbone interact. energy: -0.044
local terms energy: -55.284371
where:
bonds (distance) C4'-P energy: -10.173
bonds (distance) P-C4' energy: -10.247
flat angles C4'-P-C4' energy: -10.266
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -14.677
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: 10
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -184.818849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.818849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.849685 (E_RNA)
where:
Base-Base interactions energy: -128.377
where: short stacking energy: -50.834
Base-Backbone interact. energy: -0.122
local terms energy: -56.351372
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -13.137
flat angles C4'-P-C4' energy: -11.269
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: -12.352
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: 1, replica: 2
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -237.236941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.236941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.271331 (E_RNA)
where:
Base-Base interactions energy: -171.083
where: short stacking energy: -69.342
Base-Backbone interact. energy: -0.531
local terms energy: -65.657238
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -3.767
tors. eta vs tors. theta energy: -18.464
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: 4
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -212.364136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.364136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.675865 (E_RNA)
where:
Base-Base interactions energy: -148.332
where: short stacking energy: -61.989
Base-Backbone interact. energy: -0.003
local terms energy: -64.340969
where:
bonds (distance) C4'-P energy: -10.061
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -11.914
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -16.643
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: 3, replica: 8
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -222.015110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.015110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.065476 (E_RNA)
where:
Base-Base interactions energy: -160.038
where: short stacking energy: -59.534
Base-Backbone interact. energy: -0.122
local terms energy: -61.905363
where:
bonds (distance) C4'-P energy: -10.682
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -4.283
tors. eta vs tors. theta energy: -16.928
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: 9
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -218.371453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.371453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.392140 (E_RNA)
where:
Base-Base interactions energy: -161.745
where: short stacking energy: -64.221
Base-Backbone interact. energy: -0.824
local terms energy: -55.822809
where:
bonds (distance) C4'-P energy: -11.150
bonds (distance) P-C4' energy: -10.398
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -8.431
tors. eta vs tors. theta energy: -14.080
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: 449
Temperature: 1.100000
Total energy: -206.590163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.590163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.661501 (E_RNA)
where:
Base-Base interactions energy: -142.516
where: short stacking energy: -59.784
Base-Backbone interact. energy: -0.099
local terms energy: -64.047192
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -15.396
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: 5
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -223.377424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.377424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.377424 (E_RNA)
where:
Base-Base interactions energy: -175.889
where: short stacking energy: -67.882
Base-Backbone interact. energy: 0.594
local terms energy: -48.082978
where:
bonds (distance) C4'-P energy: -7.300
bonds (distance) P-C4' energy: -10.253
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -4.067
tors. eta vs tors. theta energy: -14.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -199.455530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.455530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.547690 (E_RNA)
where:
Base-Base interactions energy: -143.065
where: short stacking energy: -56.772
Base-Backbone interact. energy: 0.158
local terms energy: -56.641247
where:
bonds (distance) C4'-P energy: -10.488
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -7.681
tors. eta vs tors. theta energy: -11.907
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: 8, replica: 6
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -196.713877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.713877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.713877 (E_RNA)
where:
Base-Base interactions energy: -145.389
where: short stacking energy: -58.799
Base-Backbone interact. energy: -0.009
local terms energy: -51.315790
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -11.502
flat angles C4'-P-C4' energy: -11.072
flat angles P-C4'-P energy: -5.018
tors. eta vs tors. theta energy: -11.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -194.034102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.034102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.046868 (E_RNA)
where:
Base-Base interactions energy: -130.248
where: short stacking energy: -48.459
Base-Backbone interact. energy: 0.507
local terms energy: -64.305794
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -10.881
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -16.678
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: 10
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -187.490569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.490569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.499606 (E_RNA)
where:
Base-Base interactions energy: -135.020
where: short stacking energy: -49.379
Base-Backbone interact. energy: -0.299
local terms energy: -52.180645
where:
bonds (distance) C4'-P energy: -11.162
bonds (distance) P-C4' energy: -10.682
flat angles C4'-P-C4' energy: -11.011
flat angles P-C4'-P energy: -9.292
tors. eta vs tors. theta energy: -10.033
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: 1, replica: 4
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -218.849578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.849578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.889643 (E_RNA)
where:
Base-Base interactions energy: -159.791
where: short stacking energy: -62.492
Base-Backbone interact. energy: 0.217
local terms energy: -59.315248
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -11.278
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -7.457
tors. eta vs tors. theta energy: -14.254
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: 450
Temperature: 0.950000
Total energy: -225.085135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.085135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.236932 (E_RNA)
where:
Base-Base interactions energy: -163.615
where: short stacking energy: -60.208
Base-Backbone interact. energy: -0.023
local terms energy: -61.599497
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -13.615
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -4.274
tors. eta vs tors. theta energy: -15.029
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: 3, replica: 9
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -212.169019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.169019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.219311 (E_RNA)
where:
Base-Base interactions energy: -148.769
where: short stacking energy: -63.945
Base-Backbone interact. energy: -0.001
local terms energy: -63.448718
where:
bonds (distance) C4'-P energy: -11.696
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -15.401
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: 8
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -211.981992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.981992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.061108 (E_RNA)
where:
Base-Base interactions energy: -146.206
where: short stacking energy: -58.994
Base-Backbone interact. energy: -0.261
local terms energy: -65.594659
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -5.832
tors. eta vs tors. theta energy: -19.831
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: 5
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -218.515327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.515327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.515327 (E_RNA)
where:
Base-Base interactions energy: -166.828
where: short stacking energy: -66.615
Base-Backbone interact. energy: -0.055
local terms energy: -51.633111
where:
bonds (distance) C4'-P energy: -9.958
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -11.343
flat angles P-C4'-P energy: -1.159
tors. eta vs tors. theta energy: -14.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -204.411488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.411488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.427284 (E_RNA)
where:
Base-Base interactions energy: -142.053
where: short stacking energy: -56.493
Base-Backbone interact. energy: -0.000
local terms energy: -62.374160
where:
bonds (distance) C4'-P energy: -12.639
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -8.660
tors. eta vs tors. theta energy: -14.152
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: 6
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -202.477843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.477843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.553461 (E_RNA)
where:
Base-Base interactions energy: -144.575
where: short stacking energy: -62.821
Base-Backbone interact. energy: -0.003
local terms energy: -57.975196
where:
bonds (distance) C4'-P energy: -8.197
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -12.301
flat angles P-C4'-P energy: -7.123
tors. eta vs tors. theta energy: -17.125
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: 3
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -200.828474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.828474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.915424 (E_RNA)
where:
Base-Base interactions energy: -150.171
where: short stacking energy: -57.121
Base-Backbone interact. energy: -0.081
local terms energy: -50.664209
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -10.035
flat angles C4'-P-C4' energy: -11.964
flat angles P-C4'-P energy: -2.408
tors. eta vs tors. theta energy: -14.251
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: 450
Temperature: 1.300000
Total energy: -192.747237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.747237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.756162 (E_RNA)
where:
Base-Base interactions energy: -140.924
where: short stacking energy: -55.837
Base-Backbone interact. energy: 2.379
local terms energy: -54.212051
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -13.112
flat angles C4'-P-C4' energy: -10.004
flat angles P-C4'-P energy: -4.909
tors. eta vs tors. theta energy: -14.390
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: 7
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -193.283474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.283474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.457037 (E_RNA)
where:
Base-Base interactions energy: -136.290
where: short stacking energy: -52.164
Base-Backbone interact. energy: -0.099
local terms energy: -57.067577
where:
bonds (distance) C4'-P energy: -9.672
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -11.459
flat angles P-C4'-P energy: -7.323
tors. eta vs tors. theta energy: -13.407
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: 1, replica: 4
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -223.222699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.222699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.235689 (E_RNA)
where:
Base-Base interactions energy: -154.455
where: short stacking energy: -69.339
Base-Backbone interact. energy: -0.241
local terms energy: -68.540398
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -17.730
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: 451
Temperature: 0.950000
Total energy: -233.502656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.502656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.502656 (E_RNA)
where:
Base-Base interactions energy: -167.986
where: short stacking energy: -66.174
Base-Backbone interact. energy: -0.031
local terms energy: -65.484764
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -6.263
tors. eta vs tors. theta energy: -14.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -214.445162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.445162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.654746 (E_RNA)
where:
Base-Base interactions energy: -144.396
where: short stacking energy: -62.902
Base-Backbone interact. energy: -0.577
local terms energy: -69.681680
where:
bonds (distance) C4'-P energy: -10.514
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -13.834
flat angles P-C4'-P energy: -12.510
tors. eta vs tors. theta energy: -17.059
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: 4, replica: 5
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -217.085693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.085693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.240498 (E_RNA)
where:
Base-Base interactions energy: -157.440
where: short stacking energy: -63.330
Base-Backbone interact. energy: -0.010
local terms energy: -59.790172
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -10.514
flat angles C4'-P-C4' energy: -12.317
flat angles P-C4'-P energy: -6.265
tors. eta vs tors. theta energy: -18.364
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: 8
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -210.320738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.320738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.325417 (E_RNA)
where:
Base-Base interactions energy: -146.003
where: short stacking energy: -56.391
Base-Backbone interact. energy: -0.062
local terms energy: -64.260290
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -16.800
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: 6
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -206.232557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.232557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.232557 (E_RNA)
where:
Base-Base interactions energy: -143.133
where: short stacking energy: -56.644
Base-Backbone interact. energy: -0.001
local terms energy: -63.098954
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -11.102
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -12.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -197.373937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.373937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.671811 (E_RNA)
where:
Base-Base interactions energy: -137.653
where: short stacking energy: -59.914
Base-Backbone interact. energy: -0.429
local terms energy: -59.589639
where:
bonds (distance) C4'-P energy: -11.001
bonds (distance) P-C4' energy: -9.993
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -16.379
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: 451
Temperature: 1.250000
Total energy: -200.808786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.808786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.847233 (E_RNA)
where:
Base-Base interactions energy: -150.865
where: short stacking energy: -56.102
Base-Backbone interact. energy: -0.056
local terms energy: -49.926436
where:
bonds (distance) C4'-P energy: -8.533
bonds (distance) P-C4' energy: -11.545
flat angles C4'-P-C4' energy: -8.837
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: -13.217
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: 10
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -208.301254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.301254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.358675 (E_RNA)
where:
Base-Base interactions energy: -153.363
where: short stacking energy: -62.315
Base-Backbone interact. energy: -0.030
local terms energy: -54.965466
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -1.546
tors. eta vs tors. theta energy: -17.521
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: 10, replica: 7
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -195.529727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.529727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.644402 (E_RNA)
where:
Base-Base interactions energy: -134.709
where: short stacking energy: -51.512
Base-Backbone interact. energy: 0.165
local terms energy: -61.100157
where:
bonds (distance) C4'-P energy: -10.845
bonds (distance) P-C4' energy: -12.525
flat angles C4'-P-C4' energy: -10.393
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -17.192
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: 2
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -225.607098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.607098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.668041 (E_RNA)
where:
Base-Base interactions energy: -165.624
where: short stacking energy: -67.532
Base-Backbone interact. energy: -0.016
local terms energy: -60.027581
where:
bonds (distance) C4'-P energy: -11.218
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: -13.732
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: 4
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -227.571058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.571058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.585152 (E_RNA)
where:
Base-Base interactions energy: -165.194
where: short stacking energy: -69.627
Base-Backbone interact. energy: -0.003
local terms energy: -62.388047
where:
bonds (distance) C4'-P energy: -12.015
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -12.675
flat angles P-C4'-P energy: -5.064
tors. eta vs tors. theta energy: -19.319
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: 5
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -230.436256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.436256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.436256 (E_RNA)
where:
Base-Base interactions energy: -168.446
where: short stacking energy: -69.998
Base-Backbone interact. energy: -0.097
local terms energy: -61.893275
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -12.547
flat angles C4'-P-C4' energy: -10.439
flat angles P-C4'-P energy: -7.319
tors. eta vs tors. theta energy: -17.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -221.447527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.447527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.536078 (E_RNA)
where:
Base-Base interactions energy: -167.540
where: short stacking energy: -66.526
Base-Backbone interact. energy: 0.044
local terms energy: -54.040368
where:
bonds (distance) C4'-P energy: -9.239
bonds (distance) P-C4' energy: -10.963
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -3.713
tors. eta vs tors. theta energy: -15.689
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: 452
Temperature: 1.100000
Total energy: -204.585197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.585197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.597302 (E_RNA)
where:
Base-Base interactions energy: -142.824
where: short stacking energy: -54.130
Base-Backbone interact. energy: -0.008
local terms energy: -61.765709
where:
bonds (distance) C4'-P energy: -9.619
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -7.438
tors. eta vs tors. theta energy: -16.413
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: 8
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -201.779116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.779116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.783657 (E_RNA)
where:
Base-Base interactions energy: -143.625
where: short stacking energy: -57.189
Base-Backbone interact. energy: 0.053
local terms energy: -58.212154
where:
bonds (distance) C4'-P energy: -12.229
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -11.326
flat angles P-C4'-P energy: -5.920
tors. eta vs tors. theta energy: -14.683
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: 1
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -205.017177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.017177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.032376 (E_RNA)
where:
Base-Base interactions energy: -143.083
where: short stacking energy: -56.498
Base-Backbone interact. energy: -0.161
local terms energy: -61.788400
where:
bonds (distance) C4'-P energy: -10.781
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -5.773
tors. eta vs tors. theta energy: -16.324
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: 3
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -202.800943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.800943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.886935 (E_RNA)
where:
Base-Base interactions energy: -133.655
where: short stacking energy: -55.843
Base-Backbone interact. energy: -0.053
local terms energy: -69.178808
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -10.951
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: 9, replica: 7
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -195.167892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.167892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.375427 (E_RNA)
where:
Base-Base interactions energy: -137.395
where: short stacking energy: -57.099
Base-Backbone interact. energy: -0.001
local terms energy: -57.979211
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -7.672
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -18.034
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: 10, replica: 10
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -205.021578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.021578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.048931 (E_RNA)
where:
Base-Base interactions energy: -144.278
where: short stacking energy: -57.431
Base-Backbone interact. energy: -0.002
local terms energy: -60.768391
where:
bonds (distance) C4'-P energy: -10.667
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -4.116
tors. eta vs tors. theta energy: -17.237
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: 1, replica: 2
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -242.230924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.230924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.233989 (E_RNA)
where:
Base-Base interactions energy: -179.501
where: short stacking energy: -71.562
Base-Backbone interact. energy: -0.295
local terms energy: -62.438155
where:
bonds (distance) C4'-P energy: -10.095
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -5.074
tors. eta vs tors. theta energy: -16.090
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: 5
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -236.437182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.437182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.439772 (E_RNA)
where:
Base-Base interactions energy: -171.661
where: short stacking energy: -70.413
Base-Backbone interact. energy: -0.167
local terms energy: -64.612283
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -16.036
flat angles P-C4'-P energy: -2.035
tors. eta vs tors. theta energy: -18.471
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: 4
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -222.731644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.731644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.867066 (E_RNA)
where:
Base-Base interactions energy: -161.025
where: short stacking energy: -64.929
Base-Backbone interact. energy: -0.290
local terms energy: -61.552072
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -13.118
flat angles P-C4'-P energy: -3.333
tors. eta vs tors. theta energy: -17.215
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: 6
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -213.161640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.161640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.267796 (E_RNA)
where:
Base-Base interactions energy: -147.719
where: short stacking energy: -61.257
Base-Backbone interact. energy: -0.579
local terms energy: -64.969274
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -15.744
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: 5, replica: 9
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -207.120214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.120214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.171295 (E_RNA)
where:
Base-Base interactions energy: -156.073
where: short stacking energy: -59.435
Base-Backbone interact. energy: -0.029
local terms energy: -51.068827
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -11.074
flat angles C4'-P-C4' energy: -10.174
flat angles P-C4'-P energy: -2.933
tors. eta vs tors. theta energy: -15.500
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: 1
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -211.326763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.326763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.403833 (E_RNA)
where:
Base-Base interactions energy: -148.141
where: short stacking energy: -66.097
Base-Backbone interact. energy: -0.575
local terms energy: -62.687047
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -10.055
flat angles C4'-P-C4' energy: -12.354
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: -16.877
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: 453
Temperature: 1.200000
Total energy: -206.667133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.667133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.780762 (E_RNA)
where:
Base-Base interactions energy: -138.444
where: short stacking energy: -56.230
Base-Backbone interact. energy: 0.140
local terms energy: -68.476899
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -15.250
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: 7
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -198.716033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.716033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.847103 (E_RNA)
where:
Base-Base interactions energy: -138.048
where: short stacking energy: -58.067
Base-Backbone interact. energy: -0.022
local terms energy: -60.776541
where:
bonds (distance) C4'-P energy: -11.381
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -8.745
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -16.623
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: 3
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -189.032601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.032601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.086017 (E_RNA)
where:
Base-Base interactions energy: -137.753
where: short stacking energy: -58.310
Base-Backbone interact. energy: -0.002
local terms energy: -51.330939
where:
bonds (distance) C4'-P energy: -6.591
bonds (distance) P-C4' energy: -9.830
flat angles C4'-P-C4' energy: -10.600
flat angles P-C4'-P energy: -7.969
tors. eta vs tors. theta energy: -16.341
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: 10
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -190.496750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.496750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.700540 (E_RNA)
where:
Base-Base interactions energy: -132.936
where: short stacking energy: -46.862
Base-Backbone interact. energy: -1.358
local terms energy: -56.406668
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -6.902
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -12.420
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: 1, replica: 5
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -237.764198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.764198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.806378 (E_RNA)
where:
Base-Base interactions energy: -172.575
where: short stacking energy: -69.185
Base-Backbone interact. energy: -0.135
local terms energy: -65.096420
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -10.668
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -7.759
tors. eta vs tors. theta energy: -18.378
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: 454
Temperature: 0.950000
Total energy: -237.093169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.093169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.103292 (E_RNA)
where:
Base-Base interactions energy: -174.125
where: short stacking energy: -67.202
Base-Backbone interact. energy: -0.009
local terms energy: -62.969081
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -5.473
tors. eta vs tors. theta energy: -18.079
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: 4
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -229.526874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.526874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.588797 (E_RNA)
where:
Base-Base interactions energy: -165.248
where: short stacking energy: -66.363
Base-Backbone interact. energy: -0.418
local terms energy: -63.922685
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -7.886
tors. eta vs tors. theta energy: -15.991
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: 6
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -210.050928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.050928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.125705 (E_RNA)
where:
Base-Base interactions energy: -152.202
where: short stacking energy: -56.278
Base-Backbone interact. energy: -0.679
local terms energy: -57.243917
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -11.394
flat angles C4'-P-C4' energy: -10.914
flat angles P-C4'-P energy: -6.057
tors. eta vs tors. theta energy: -16.466
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: 1
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -206.188240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.188240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.258537 (E_RNA)
where:
Base-Base interactions energy: -144.010
where: short stacking energy: -57.674
Base-Backbone interact. energy: -0.001
local terms energy: -62.247581
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -14.091
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -5.495
tors. eta vs tors. theta energy: -17.328
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: 9
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -204.157476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.157476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.351358 (E_RNA)
where:
Base-Base interactions energy: -148.372
where: short stacking energy: -58.241
Base-Backbone interact. energy: -0.262
local terms energy: -55.716852
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -11.891
flat angles P-C4'-P energy: -3.131
tors. eta vs tors. theta energy: -15.647
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: 7, replica: 7
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -200.002259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.002259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.080782 (E_RNA)
where:
Base-Base interactions energy: -143.487
where: short stacking energy: -59.053
Base-Backbone interact. energy: -0.021
local terms energy: -56.573312
where:
bonds (distance) C4'-P energy: -10.566
bonds (distance) P-C4' energy: -12.112
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -5.859
tors. eta vs tors. theta energy: -14.606
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: 8
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -202.162913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.162913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.192543 (E_RNA)
where:
Base-Base interactions energy: -140.280
where: short stacking energy: -53.078
Base-Backbone interact. energy: -0.017
local terms energy: -61.895900
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -12.234
flat angles C4'-P-C4' energy: -11.903
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -13.913
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: 10
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -193.915172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.915172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.102954 (E_RNA)
where:
Base-Base interactions energy: -132.119
where: short stacking energy: -49.023
Base-Backbone interact. energy: -0.181
local terms energy: -61.802453
where:
bonds (distance) C4'-P energy: -9.804
bonds (distance) P-C4' energy: -12.997
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -11.620
tors. eta vs tors. theta energy: -13.701
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: 10, replica: 3
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -179.813996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.813996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.846012 (E_RNA)
where:
Base-Base interactions energy: -139.553
where: short stacking energy: -50.880
Base-Backbone interact. energy: -0.195
local terms energy: -40.097310
where:
bonds (distance) C4'-P energy: -2.739
bonds (distance) P-C4' energy: -11.103
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -5.685
tors. eta vs tors. theta energy: -8.530
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: 5
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -233.895325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.895325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.105529 (E_RNA)
where:
Base-Base interactions energy: -168.037
where: short stacking energy: -69.364
Base-Backbone interact. energy: -1.051
local terms energy: -65.016775
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -6.503
tors. eta vs tors. theta energy: -17.927
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: 2, replica: 4
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -229.859501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.859501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.926378 (E_RNA)
where:
Base-Base interactions energy: -163.743
where: short stacking energy: -63.882
Base-Backbone interact. energy: -0.161
local terms energy: -66.022085
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -7.022
tors. eta vs tors. theta energy: -16.103
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: 455
Temperature: 1.000000
Total energy: -232.392812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.392812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.439098 (E_RNA)
where:
Base-Base interactions energy: -169.446
where: short stacking energy: -66.804
Base-Backbone interact. energy: -0.321
local terms energy: -62.671590
where:
bonds (distance) C4'-P energy: -10.967
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -4.956
tors. eta vs tors. theta energy: -16.357
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: 6
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -210.496415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.496415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.638558 (E_RNA)
where:
Base-Base interactions energy: -148.081
where: short stacking energy: -62.329
Base-Backbone interact. energy: -0.016
local terms energy: -62.541073
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -11.137
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: -17.260
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: 1
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -218.114282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.114282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.148996 (E_RNA)
where:
Base-Base interactions energy: -154.872
where: short stacking energy: -63.527
Base-Backbone interact. energy: -0.249
local terms energy: -63.028366
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -11.019
flat angles P-C4'-P energy: -8.046
tors. eta vs tors. theta energy: -16.169
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: 9
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -205.163122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.163122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.233479 (E_RNA)
where:
Base-Base interactions energy: -139.539
where: short stacking energy: -57.722
Base-Backbone interact. energy: -0.988
local terms energy: -64.706862
where:
bonds (distance) C4'-P energy: -8.510
bonds (distance) P-C4' energy: -15.337
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -12.719
tors. eta vs tors. theta energy: -14.209
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: 7
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -199.974001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.974001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.019050 (E_RNA)
where:
Base-Base interactions energy: -142.172
where: short stacking energy: -56.644
Base-Backbone interact. energy: -0.004
local terms energy: -57.842906
where:
bonds (distance) C4'-P energy: -10.368
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -11.414
flat angles P-C4'-P energy: -7.435
tors. eta vs tors. theta energy: -15.464
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: 8
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -201.184365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.184365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.234192 (E_RNA)
where:
Base-Base interactions energy: -141.917
where: short stacking energy: -53.046
Base-Backbone interact. energy: -0.124
local terms energy: -59.193368
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -5.726
tors. eta vs tors. theta energy: -12.782
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: 10
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -194.642956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.642956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.800848 (E_RNA)
where:
Base-Base interactions energy: -134.370
where: short stacking energy: -52.046
Base-Backbone interact. energy: -0.250
local terms energy: -60.180989
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -11.127
flat angles C4'-P-C4' energy: -12.334
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -13.546
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: 3
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -188.164294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.164294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.302114 (E_RNA)
where:
Base-Base interactions energy: -132.762
where: short stacking energy: -54.688
Base-Backbone interact. energy: 0.268
local terms energy: -55.808462
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -10.194
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -6.137
tors. eta vs tors. theta energy: -13.082
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: 4
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -238.983762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.983762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.010914 (E_RNA)
where:
Base-Base interactions energy: -169.908
where: short stacking energy: -67.483
Base-Backbone interact. energy: -0.002
local terms energy: -69.100751
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -7.291
tors. eta vs tors. theta energy: -16.739
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: 5
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -228.889575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.889575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.910416 (E_RNA)
where:
Base-Base interactions energy: -168.416
where: short stacking energy: -69.902
Base-Backbone interact. energy: -0.508
local terms energy: -59.985786
where:
bonds (distance) C4'-P energy: -14.652
bonds (distance) P-C4' energy: -8.502
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -5.386
tors. eta vs tors. theta energy: -17.109
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: 6
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -212.271273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.271273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.300712 (E_RNA)
where:
Base-Base interactions energy: -145.354
where: short stacking energy: -63.310
Base-Backbone interact. energy: -0.001
local terms energy: -66.945777
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -6.956
tors. eta vs tors. theta energy: -18.090
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: 2
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -225.160426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.160426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.160426 (E_RNA)
where:
Base-Base interactions energy: -164.201
where: short stacking energy: -65.312
Base-Backbone interact. energy: -0.049
local terms energy: -60.910080
where:
bonds (distance) C4'-P energy: -9.011
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -7.292
tors. eta vs tors. theta energy: -17.513
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -210.623735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.623735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.623735 (E_RNA)
where:
Base-Base interactions energy: -142.565
where: short stacking energy: -60.062
Base-Backbone interact. energy: -0.028
local terms energy: -68.030214
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -18.186
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -206.013659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.013659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.102193 (E_RNA)
where:
Base-Base interactions energy: -143.890
where: short stacking energy: -58.441
Base-Backbone interact. energy: -0.084
local terms energy: -62.128636
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -13.033
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -13.822
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: 8
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -197.291941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.291941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.370941 (E_RNA)
where:
Base-Base interactions energy: -139.756
where: short stacking energy: -57.003
Base-Backbone interact. energy: -0.582
local terms energy: -57.033090
where:
bonds (distance) C4'-P energy: -13.774
bonds (distance) P-C4' energy: -6.985
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -7.929
tors. eta vs tors. theta energy: -16.114
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: 7
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -200.426186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.426186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.613085 (E_RNA)
where:
Base-Base interactions energy: -143.035
where: short stacking energy: -61.451
Base-Backbone interact. energy: -0.200
local terms energy: -57.378462
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -10.592
flat angles C4'-P-C4' energy: -12.518
flat angles P-C4'-P energy: -6.430
tors. eta vs tors. theta energy: -16.070
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: 9, replica: 3
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -200.667415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.667415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.800855 (E_RNA)
where:
Base-Base interactions energy: -144.838
where: short stacking energy: -60.607
Base-Backbone interact. energy: -0.182
local terms energy: -55.781734
where:
bonds (distance) C4'-P energy: -10.741
bonds (distance) P-C4' energy: -11.598
flat angles C4'-P-C4' energy: -13.064
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -12.647
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: 456
Temperature: 1.350000
Total energy: -197.837811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.837811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.850940 (E_RNA)
where:
Base-Base interactions energy: -138.363
where: short stacking energy: -53.652
Base-Backbone interact. energy: -0.104
local terms energy: -59.383916
where:
bonds (distance) C4'-P energy: -10.443
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: -13.526
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: 1, replica: 4
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -235.260188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.260188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.321380 (E_RNA)
where:
Base-Base interactions energy: -169.604
where: short stacking energy: -64.551
Base-Backbone interact. energy: -0.014
local terms energy: -65.703452
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -12.580
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -5.395
tors. eta vs tors. theta energy: -19.911
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: 5
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -218.244206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.244206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.263043 (E_RNA)
where:
Base-Base interactions energy: -153.205
where: short stacking energy: -63.469
Base-Backbone interact. energy: -0.063
local terms energy: -64.994914
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -16.286
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: 6
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -222.266344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.266344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.295663 (E_RNA)
where:
Base-Base interactions energy: -168.808
where: short stacking energy: -68.675
Base-Backbone interact. energy: -0.602
local terms energy: -52.885555
where:
bonds (distance) C4'-P energy: -10.989
bonds (distance) P-C4' energy: -8.982
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -4.418
tors. eta vs tors. theta energy: -15.898
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: 9
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -211.913267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.913267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.927406 (E_RNA)
where:
Base-Base interactions energy: -150.811
where: short stacking energy: -56.783
Base-Backbone interact. energy: -0.253
local terms energy: -60.863912
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -12.650
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -5.942
tors. eta vs tors. theta energy: -14.674
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: 457
Temperature: 1.100000
Total energy: -224.160582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.160582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.160582 (E_RNA)
where:
Base-Base interactions energy: -160.710
where: short stacking energy: -61.625
Base-Backbone interact. energy: -1.193
local terms energy: -62.257925
where:
bonds (distance) C4'-P energy: -11.569
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -5.454
tors. eta vs tors. theta energy: -16.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -208.466924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.466924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.490961 (E_RNA)
where:
Base-Base interactions energy: -148.702
where: short stacking energy: -57.882
Base-Backbone interact. energy: -0.774
local terms energy: -59.014327
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -6.431
tors. eta vs tors. theta energy: -14.214
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: 8
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -199.090694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.090694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.311421 (E_RNA)
where:
Base-Base interactions energy: -142.112
where: short stacking energy: -60.093
Base-Backbone interact. energy: -0.041
local terms energy: -57.158664
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -9.123
flat angles C4'-P-C4' energy: -10.620
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -16.593
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: 7
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -196.660730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.660730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.848550 (E_RNA)
where:
Base-Base interactions energy: -134.586
where: short stacking energy: -49.450
Base-Backbone interact. energy: -0.102
local terms energy: -62.160377
where:
bonds (distance) C4'-P energy: -11.981
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -16.250
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: 3
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -189.487213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.487213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.801616 (E_RNA)
where:
Base-Base interactions energy: -138.963
where: short stacking energy: -58.239
Base-Backbone interact. energy: -0.022
local terms energy: -50.816161
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -11.698
flat angles C4'-P-C4' energy: -10.814
flat angles P-C4'-P energy: -3.367
tors. eta vs tors. theta energy: -12.015
Dist. restrs. and SS energy: 0.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -188.505388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.505388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.647178 (E_RNA)
where:
Base-Base interactions energy: -132.529
where: short stacking energy: -49.978
Base-Backbone interact. energy: -0.134
local terms energy: -55.984857
where:
bonds (distance) C4'-P energy: -8.178
bonds (distance) P-C4' energy: -10.421
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -7.850
tors. eta vs tors. theta energy: -14.808
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: 5
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -222.712921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.712921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.712921 (E_RNA)
where:
Base-Base interactions energy: -163.263
where: short stacking energy: -61.575
Base-Backbone interact. energy: -0.004
local terms energy: -59.445635
where:
bonds (distance) C4'-P energy: -10.361
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -12.710
flat angles P-C4'-P energy: -6.875
tors. eta vs tors. theta energy: -16.905
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: 4
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -226.090521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.090521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.136613 (E_RNA)
where:
Base-Base interactions energy: -162.195
where: short stacking energy: -60.443
Base-Backbone interact. energy: -0.054
local terms energy: -63.888236
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -14.519
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -6.567
tors. eta vs tors. theta energy: -14.005
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: 6
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -234.717479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.717479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.793152 (E_RNA)
where:
Base-Base interactions energy: -173.041
where: short stacking energy: -71.695
Base-Backbone interact. energy: -0.016
local terms energy: -61.736935
where:
bonds (distance) C4'-P energy: -11.733
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -13.522
flat angles P-C4'-P energy: -4.302
tors. eta vs tors. theta energy: -17.197
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: 9
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -203.098222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.098222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.111198 (E_RNA)
where:
Base-Base interactions energy: -146.538
where: short stacking energy: -65.459
Base-Backbone interact. energy: -0.004
local terms energy: -56.569015
where:
bonds (distance) C4'-P energy: -6.167
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -6.203
tors. eta vs tors. theta energy: -16.278
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: 1
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -206.068761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.068761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.313210 (E_RNA)
where:
Base-Base interactions energy: -138.161
where: short stacking energy: -58.870
Base-Backbone interact. energy: -0.126
local terms energy: -68.026129
where:
bonds (distance) C4'-P energy: -11.135
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: -15.367
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: 6, replica: 2
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -219.890487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.890487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.974547 (E_RNA)
where:
Base-Base interactions energy: -166.215
where: short stacking energy: -63.136
Base-Backbone interact. energy: -0.192
local terms energy: -53.566951
where:
bonds (distance) C4'-P energy: -7.752
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -4.260
tors. eta vs tors. theta energy: -14.581
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: 7
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -200.394480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.394480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.407092 (E_RNA)
where:
Base-Base interactions energy: -136.863
where: short stacking energy: -56.602
Base-Backbone interact. energy: 0.176
local terms energy: -63.720412
where:
bonds (distance) C4'-P energy: -9.843
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -17.353
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: 8
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -195.379248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.379248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.379248 (E_RNA)
where:
Base-Base interactions energy: -140.098
where: short stacking energy: -53.324
Base-Backbone interact. energy: -0.058
local terms energy: -55.223141
where:
bonds (distance) C4'-P energy: -12.483
bonds (distance) P-C4' energy: -12.708
flat angles C4'-P-C4' energy: -11.839
flat angles P-C4'-P energy: -4.675
tors. eta vs tors. theta energy: -13.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -187.403638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.403638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.528291 (E_RNA)
where:
Base-Base interactions energy: -137.522
where: short stacking energy: -58.570
Base-Backbone interact. energy: -0.045
local terms energy: -49.961808
where:
bonds (distance) C4'-P energy: -8.844
bonds (distance) P-C4' energy: -8.310
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -3.786
tors. eta vs tors. theta energy: -14.168
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: 3
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -192.403645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.403645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.439126 (E_RNA)
where:
Base-Base interactions energy: -140.180
where: short stacking energy: -56.319
Base-Backbone interact. energy: -0.046
local terms energy: -52.213394
where:
bonds (distance) C4'-P energy: -10.056
bonds (distance) P-C4' energy: -6.395
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -7.216
tors. eta vs tors. theta energy: -15.843
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: 5
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -215.378112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.378112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.391428 (E_RNA)
where:
Base-Base interactions energy: -148.081
where: short stacking energy: -59.628
Base-Backbone interact. energy: -0.071
local terms energy: -67.239494
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -18.081
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: 6
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -230.604676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.604676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.613204 (E_RNA)
where:
Base-Base interactions energy: -171.831
where: short stacking energy: -66.574
Base-Backbone interact. energy: -0.114
local terms energy: -58.668554
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -10.092
flat angles P-C4'-P energy: -5.456
tors. eta vs tors. theta energy: -16.382
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: 4
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -211.972065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.972065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.987036 (E_RNA)
where:
Base-Base interactions energy: -150.647
where: short stacking energy: -61.628
Base-Backbone interact. energy: -0.004
local terms energy: -61.335672
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -11.192
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -14.897
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: 1
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -214.140184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.140184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.170678 (E_RNA)
where:
Base-Base interactions energy: -149.040
where: short stacking energy: -61.790
Base-Backbone interact. energy: -0.000
local terms energy: -65.129996
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -11.894
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -17.922
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: 9
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -207.980878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.980878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.017390 (E_RNA)
where:
Base-Base interactions energy: -143.066
where: short stacking energy: -61.271
Base-Backbone interact. energy: -0.005
local terms energy: -64.945663
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -16.987
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: 2
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -213.617340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.617340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.725746 (E_RNA)
where:
Base-Base interactions energy: -152.963
where: short stacking energy: -55.153
Base-Backbone interact. energy: -0.259
local terms energy: -60.503675
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -11.618
flat angles C4'-P-C4' energy: -11.270
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -16.548
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: 7, replica: 7
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -210.343843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.343843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.498070 (E_RNA)
where:
Base-Base interactions energy: -161.508
where: short stacking energy: -63.929
Base-Backbone interact. energy: 0.758
local terms energy: -49.747991
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -8.076
flat angles C4'-P-C4' energy: -9.039
flat angles P-C4'-P energy: -4.244
tors. eta vs tors. theta energy: -16.113
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: 10
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -197.430184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.430184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.477027 (E_RNA)
where:
Base-Base interactions energy: -140.238
where: short stacking energy: -53.162
Base-Backbone interact. energy: -0.002
local terms energy: -57.237002
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -11.621
flat angles P-C4'-P energy: -4.424
tors. eta vs tors. theta energy: -11.779
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: 9, replica: 8
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -191.307886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.307886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.307886 (E_RNA)
where:
Base-Base interactions energy: -136.513
where: short stacking energy: -56.289
Base-Backbone interact. energy: -0.116
local terms energy: -54.679256
where:
bonds (distance) C4'-P energy: -9.664
bonds (distance) P-C4' energy: -9.576
flat angles C4'-P-C4' energy: -12.364
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -12.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -191.690101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.690101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.743361 (E_RNA)
where:
Base-Base interactions energy: -136.017
where: short stacking energy: -53.011
Base-Backbone interact. energy: -0.005
local terms energy: -55.721386
where:
bonds (distance) C4'-P energy: -8.402
bonds (distance) P-C4' energy: -12.263
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -6.592
tors. eta vs tors. theta energy: -15.309
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: 1, replica: 6
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -235.793600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.793600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.850326 (E_RNA)
where:
Base-Base interactions energy: -171.629
where: short stacking energy: -70.369
Base-Backbone interact. energy: -0.003
local terms energy: -64.219130
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -6.735
tors. eta vs tors. theta energy: -16.381
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: 2, replica: 5
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -217.709595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.709595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.744403 (E_RNA)
where:
Base-Base interactions energy: -154.247
where: short stacking energy: -64.336
Base-Backbone interact. energy: -0.088
local terms energy: -63.409231
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -9.958
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -17.811
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: 460
Temperature: 1.000000
Total energy: -221.288353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.288353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.288353 (E_RNA)
where:
Base-Base interactions energy: -156.529
where: short stacking energy: -65.299
Base-Backbone interact. energy: -0.123
local terms energy: -64.636213
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -13.677
flat angles C4'-P-C4' energy: -12.456
flat angles P-C4'-P energy: -6.278
tors. eta vs tors. theta energy: -18.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -207.771029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.771029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.857719 (E_RNA)
where:
Base-Base interactions energy: -143.632
where: short stacking energy: -55.876
Base-Backbone interact. energy: -0.014
local terms energy: -64.211257
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -7.228
tors. eta vs tors. theta energy: -15.366
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: 2
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -212.439559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.439559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.455020 (E_RNA)
where:
Base-Base interactions energy: -145.422
where: short stacking energy: -62.495
Base-Backbone interact. energy: -0.003
local terms energy: -67.029981
where:
bonds (distance) C4'-P energy: -13.766
bonds (distance) P-C4' energy: -10.823
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -17.751
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: 460
Temperature: 1.150000
Total energy: -208.139205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.139205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.202869 (E_RNA)
where:
Base-Base interactions energy: -146.095
where: short stacking energy: -57.764
Base-Backbone interact. energy: -0.001
local terms energy: -62.106797
where:
bonds (distance) C4'-P energy: -11.233
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -13.505
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: 10
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -202.698002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.698002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.879072 (E_RNA)
where:
Base-Base interactions energy: -145.344
where: short stacking energy: -58.648
Base-Backbone interact. energy: -0.030
local terms energy: -57.504858
where:
bonds (distance) C4'-P energy: -11.142
bonds (distance) P-C4' energy: -15.351
flat angles C4'-P-C4' energy: -9.154
flat angles P-C4'-P energy: -4.797
tors. eta vs tors. theta energy: -17.060
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: 460
Temperature: 1.250000
Total energy: -200.422177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.422177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.459848 (E_RNA)
where:
Base-Base interactions energy: -146.681
where: short stacking energy: -57.711
Base-Backbone interact. energy: -0.089
local terms energy: -53.689900
where:
bonds (distance) C4'-P energy: -10.505
bonds (distance) P-C4' energy: -5.312
flat angles C4'-P-C4' energy: -12.643
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -16.130
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: 460
Temperature: 1.300000
Total energy: -194.800711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.800711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.800711 (E_RNA)
where:
Base-Base interactions energy: -135.406
where: short stacking energy: -51.234
Base-Backbone interact. energy: -0.000
local terms energy: -59.394453
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -11.011
flat angles C4'-P-C4' energy: -14.004
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -14.231
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -189.636806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.636806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.833548 (E_RNA)
where:
Base-Base interactions energy: -131.878
where: short stacking energy: -50.246
Base-Backbone interact. energy: -0.012
local terms energy: -57.943382
where:
bonds (distance) C4'-P energy: -9.402
bonds (distance) P-C4' energy: -10.168
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -14.944
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: 1, replica: 6
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -236.922789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.922789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.055042 (E_RNA)
where:
Base-Base interactions energy: -178.726
where: short stacking energy: -72.259
Base-Backbone interact. energy: -0.003
local terms energy: -58.325594
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -11.960
flat angles P-C4'-P energy: -3.132
tors. eta vs tors. theta energy: -16.151
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: 1
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -223.563854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.563854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.594674 (E_RNA)
where:
Base-Base interactions energy: -158.443
where: short stacking energy: -64.456
Base-Backbone interact. energy: -0.280
local terms energy: -64.871564
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -12.302
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -16.971
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: 5
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -213.965797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.965797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.090663 (E_RNA)
where:
Base-Base interactions energy: -145.233
where: short stacking energy: -59.179
Base-Backbone interact. energy: -0.002
local terms energy: -68.855604
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -17.557
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: 2
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -210.696748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.696748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.706069 (E_RNA)
where:
Base-Base interactions energy: -147.259
where: short stacking energy: -61.717
Base-Backbone interact. energy: -0.002
local terms energy: -63.445185
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -12.154
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -14.970
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: 4
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -205.184665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.184665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.380409 (E_RNA)
where:
Base-Base interactions energy: -138.526
where: short stacking energy: -55.618
Base-Backbone interact. energy: -0.096
local terms energy: -66.757693
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -15.217
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: 6, replica: 10
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -200.023363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.023363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.053444 (E_RNA)
where:
Base-Base interactions energy: -143.359
where: short stacking energy: -58.038
Base-Backbone interact. energy: -0.100
local terms energy: -56.594615
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -10.470
flat angles P-C4'-P energy: -5.538
tors. eta vs tors. theta energy: -14.721
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: 461
Temperature: 1.200000
Total energy: -208.852796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.852796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.884808 (E_RNA)
where:
Base-Base interactions energy: -142.344
where: short stacking energy: -58.465
Base-Backbone interact. energy: -0.008
local terms energy: -66.532051
where:
bonds (distance) C4'-P energy: -12.715
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -15.487
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: 8, replica: 3
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -201.055776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.055776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.341447 (E_RNA)
where:
Base-Base interactions energy: -149.214
where: short stacking energy: -60.124
Base-Backbone interact. energy: -0.263
local terms energy: -51.864565
where:
bonds (distance) C4'-P energy: -9.957
bonds (distance) P-C4' energy: -9.670
flat angles C4'-P-C4' energy: -10.502
flat angles P-C4'-P energy: -8.177
tors. eta vs tors. theta energy: -13.559
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: 9, replica: 7
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -204.779333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.779333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.868809 (E_RNA)
where:
Base-Base interactions energy: -146.479
where: short stacking energy: -55.907
Base-Backbone interact. energy: -0.144
local terms energy: -58.246141
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -8.338
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: -13.503
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: 10, replica: 8
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -193.654858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.654858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.748753 (E_RNA)
where:
Base-Base interactions energy: -140.032
where: short stacking energy: -54.484
Base-Backbone interact. energy: -0.048
local terms energy: -53.669560
where:
bonds (distance) C4'-P energy: -10.252
bonds (distance) P-C4' energy: -11.651
flat angles C4'-P-C4' energy: -12.055
flat angles P-C4'-P energy: -7.283
tors. eta vs tors. theta energy: -12.428
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: 1, replica: 1
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -229.633123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.633123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.661151 (E_RNA)
where:
Base-Base interactions energy: -166.164
where: short stacking energy: -69.107
Base-Backbone interact. energy: -0.018
local terms energy: -63.478645
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -4.840
tors. eta vs tors. theta energy: -19.309
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: 6
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -219.778918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.778918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.826021 (E_RNA)
where:
Base-Base interactions energy: -159.402
where: short stacking energy: -65.938
Base-Backbone interact. energy: -0.774
local terms energy: -59.650406
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -12.714
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -4.586
tors. eta vs tors. theta energy: -17.096
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: 462
Temperature: 1.000000
Total energy: -211.469800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.469800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.469800 (E_RNA)
where:
Base-Base interactions energy: -149.679
where: short stacking energy: -58.437
Base-Backbone interact. energy: -0.577
local terms energy: -61.214158
where:
bonds (distance) C4'-P energy: -11.623
bonds (distance) P-C4' energy: -11.324
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -17.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -206.814254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.814254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.854829 (E_RNA)
where:
Base-Base interactions energy: -152.595
where: short stacking energy: -53.981
Base-Backbone interact. energy: -0.003
local terms energy: -54.256730
where:
bonds (distance) C4'-P energy: -10.202
bonds (distance) P-C4' energy: -10.789
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -5.661
tors. eta vs tors. theta energy: -13.465
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: 10
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -204.799605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.799605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.799605 (E_RNA)
where:
Base-Base interactions energy: -143.961
where: short stacking energy: -59.041
Base-Backbone interact. energy: -0.080
local terms energy: -60.758969
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -12.492
flat angles P-C4'-P energy: -7.592
tors. eta vs tors. theta energy: -13.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -194.882436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.882436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.963647 (E_RNA)
where:
Base-Base interactions energy: -135.117
where: short stacking energy: -51.265
Base-Backbone interact. energy: -0.103
local terms energy: -59.743765
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -12.136
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -11.983
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: 3
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -204.461997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.461997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.490346 (E_RNA)
where:
Base-Base interactions energy: -148.165
where: short stacking energy: -55.262
Base-Backbone interact. energy: -0.015
local terms energy: -56.311227
where:
bonds (distance) C4'-P energy: -8.559
bonds (distance) P-C4' energy: -12.482
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -13.178
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: 8, replica: 9
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -194.729622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.729622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.023081 (E_RNA)
where:
Base-Base interactions energy: -140.497
where: short stacking energy: -59.355
Base-Backbone interact. energy: -0.172
local terms energy: -54.354251
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -10.296
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -11.142
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: 9, replica: 8
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -192.861788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.861788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.896645 (E_RNA)
where:
Base-Base interactions energy: -139.460
where: short stacking energy: -51.613
Base-Backbone interact. energy: -0.100
local terms energy: -53.336861
where:
bonds (distance) C4'-P energy: -10.820
bonds (distance) P-C4' energy: -12.238
flat angles C4'-P-C4' energy: -13.642
flat angles P-C4'-P energy: -4.333
tors. eta vs tors. theta energy: -12.304
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: 7
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -193.274392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.274392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.371105 (E_RNA)
where:
Base-Base interactions energy: -133.173
where: short stacking energy: -51.850
Base-Backbone interact. energy: -0.010
local terms energy: -60.188317
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -11.119
flat angles C4'-P-C4' energy: -10.416
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -16.705
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: 1, replica: 1
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -228.114303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.114303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.173737 (E_RNA)
where:
Base-Base interactions energy: -156.455
where: short stacking energy: -68.726
Base-Backbone interact. energy: -0.592
local terms energy: -71.126695
where:
bonds (distance) C4'-P energy: -11.245
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -11.154
tors. eta vs tors. theta energy: -18.809
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: 463
Temperature: 0.950000
Total energy: -221.166066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.166066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.276570 (E_RNA)
where:
Base-Base interactions energy: -157.629
where: short stacking energy: -59.013
Base-Backbone interact. energy: 0.401
local terms energy: -64.048204
where:
bonds (distance) C4'-P energy: -13.033
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -6.439
tors. eta vs tors. theta energy: -15.925
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: 3, replica: 2
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -215.123643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.123643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.143972 (E_RNA)
where:
Base-Base interactions energy: -154.311
where: short stacking energy: -60.855
Base-Backbone interact. energy: -0.016
local terms energy: -60.817727
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -15.741
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -4.268
tors. eta vs tors. theta energy: -13.863
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: 463
Temperature: 1.050000
Total energy: -212.454065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.454065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.674348 (E_RNA)
where:
Base-Base interactions energy: -150.159
where: short stacking energy: -61.878
Base-Backbone interact. energy: -0.203
local terms energy: -62.312837
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -7.492
tors. eta vs tors. theta energy: -14.309
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: 5, replica: 10
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -217.210664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.210664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.299837 (E_RNA)
where:
Base-Base interactions energy: -153.657
where: short stacking energy: -58.402
Base-Backbone interact. energy: -0.021
local terms energy: -63.621526
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -6.044
tors. eta vs tors. theta energy: -14.170
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: 463
Temperature: 1.150000
Total energy: -223.099683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.099683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.193011 (E_RNA)
where:
Base-Base interactions energy: -164.197
where: short stacking energy: -65.072
Base-Backbone interact. energy: -0.159
local terms energy: -58.837919
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -2.759
tors. eta vs tors. theta energy: -17.842
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: 4
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -206.797181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.797181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.813350 (E_RNA)
where:
Base-Base interactions energy: -147.116
where: short stacking energy: -62.913
Base-Backbone interact. energy: 0.698
local terms energy: -60.395235
where:
bonds (distance) C4'-P energy: -11.576
bonds (distance) P-C4' energy: -10.821
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -9.598
tors. eta vs tors. theta energy: -14.247
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: 8
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -201.510197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.510197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.517260 (E_RNA)
where:
Base-Base interactions energy: -140.899
where: short stacking energy: -56.129
Base-Backbone interact. energy: -0.002
local terms energy: -60.616472
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -7.658
flat angles P-C4'-P energy: -8.781
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: 9, replica: 9
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -192.651322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.651322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.735054 (E_RNA)
where:
Base-Base interactions energy: -143.872
where: short stacking energy: -56.985
Base-Backbone interact. energy: 0.394
local terms energy: -49.257446
where:
bonds (distance) C4'-P energy: -9.361
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -6.281
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -14.182
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: 10, replica: 7
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -188.646357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.646357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.685844 (E_RNA)
where:
Base-Base interactions energy: -138.172
where: short stacking energy: -56.648
Base-Backbone interact. energy: 0.122
local terms energy: -50.635731
where:
bonds (distance) C4'-P energy: -9.975
bonds (distance) P-C4' energy: -10.556
flat angles C4'-P-C4' energy: -10.616
flat angles P-C4'-P energy: -4.643
tors. eta vs tors. theta energy: -14.846
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: 1, replica: 1
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -220.840626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.840626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.907950 (E_RNA)
where:
Base-Base interactions energy: -154.063
where: short stacking energy: -65.122
Base-Backbone interact. energy: -0.001
local terms energy: -66.844630
where:
bonds (distance) C4'-P energy: -11.158
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -15.641
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -15.106
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: 6
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -215.431638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.431638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.441679 (E_RNA)
where:
Base-Base interactions energy: -154.361
where: short stacking energy: -59.775
Base-Backbone interact. energy: -0.080
local terms energy: -61.001316
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -6.108
tors. eta vs tors. theta energy: -13.662
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: 464
Temperature: 1.000000
Total energy: -216.046677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.046677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.111906 (E_RNA)
where:
Base-Base interactions energy: -147.501
where: short stacking energy: -61.913
Base-Backbone interact. energy: -0.004
local terms energy: -68.606867
where:
bonds (distance) C4'-P energy: -11.854
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -16.678
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: 5
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -211.473360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.473360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.635772 (E_RNA)
where:
Base-Base interactions energy: -157.819
where: short stacking energy: -66.150
Base-Backbone interact. energy: 0.986
local terms energy: -54.803335
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -10.352
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -5.896
tors. eta vs tors. theta energy: -12.957
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: 10
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -214.047463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.047463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.047463 (E_RNA)
where:
Base-Base interactions energy: -154.997
where: short stacking energy: -53.991
Base-Backbone interact. energy: -0.126
local terms energy: -58.924170
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -9.861
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -6.629
tors. eta vs tors. theta energy: -16.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -210.413914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.413914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.510731 (E_RNA)
where:
Base-Base interactions energy: -147.997
where: short stacking energy: -58.375
Base-Backbone interact. energy: -0.007
local terms energy: -62.506932
where:
bonds (distance) C4'-P energy: -14.805
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -4.021
tors. eta vs tors. theta energy: -16.901
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: 8
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -199.519175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.519175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.744240 (E_RNA)
where:
Base-Base interactions energy: -134.143
where: short stacking energy: -50.408
Base-Backbone interact. energy: -0.001
local terms energy: -65.600419
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -13.330
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -16.031
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: 8, replica: 4
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -195.881234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.881234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.965720 (E_RNA)
where:
Base-Base interactions energy: -138.580
where: short stacking energy: -53.060
Base-Backbone interact. energy: -0.103
local terms energy: -57.283004
where:
bonds (distance) C4'-P energy: -10.294
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -10.097
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -12.858
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: 9
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -196.855640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.855640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.940973 (E_RNA)
where:
Base-Base interactions energy: -139.409
where: short stacking energy: -55.617
Base-Backbone interact. energy: 0.054
local terms energy: -57.585895
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -11.760
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -9.686
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: 10, replica: 7
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -194.911085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.911085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.092978 (E_RNA)
where:
Base-Base interactions energy: -143.476
where: short stacking energy: -57.961
Base-Backbone interact. energy: -0.049
local terms energy: -51.567127
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -6.881
flat angles C4'-P-C4' energy: -10.591
flat angles P-C4'-P energy: -5.128
tors. eta vs tors. theta energy: -17.211
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: 1, replica: 1
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -225.255999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.255999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.279364 (E_RNA)
where:
Base-Base interactions energy: -154.247
where: short stacking energy: -65.709
Base-Backbone interact. energy: -0.000
local terms energy: -71.031854
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -17.478
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: 465
Temperature: 0.950000
Total energy: -217.507209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.507209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.509966 (E_RNA)
where:
Base-Base interactions energy: -149.630
where: short stacking energy: -59.760
Base-Backbone interact. energy: -0.054
local terms energy: -67.826437
where:
bonds (distance) C4'-P energy: -9.075
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: -17.746
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: 6
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -211.582649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.582649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.860282 (E_RNA)
where:
Base-Base interactions energy: -149.092
where: short stacking energy: -64.171
Base-Backbone interact. energy: -0.022
local terms energy: -62.747091
where:
bonds (distance) C4'-P energy: -12.847
bonds (distance) P-C4' energy: -11.814
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -14.911
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: 4, replica: 5
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -220.220728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.220728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.331817 (E_RNA)
where:
Base-Base interactions energy: -158.580
where: short stacking energy: -62.486
Base-Backbone interact. energy: -0.047
local terms energy: -61.704411
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -4.212
tors. eta vs tors. theta energy: -16.577
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: 465
Temperature: 1.100000
Total energy: -211.478240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.478240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.583579 (E_RNA)
where:
Base-Base interactions energy: -146.682
where: short stacking energy: -58.697
Base-Backbone interact. energy: -0.003
local terms energy: -64.899051
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -11.252
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -17.556
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: 8
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -195.913643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.913643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.920704 (E_RNA)
where:
Base-Base interactions energy: -132.073
where: short stacking energy: -48.355
Base-Backbone interact. energy: -0.165
local terms energy: -63.682773
where:
bonds (distance) C4'-P energy: -14.159
bonds (distance) P-C4' energy: -12.384
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -15.161
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: 3
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -206.195139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.195139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.213200 (E_RNA)
where:
Base-Base interactions energy: -140.860
where: short stacking energy: -57.382
Base-Backbone interact. energy: -0.244
local terms energy: -65.109761
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -12.532
flat angles P-C4'-P energy: -12.204
tors. eta vs tors. theta energy: -14.506
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: 9
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -204.976412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.976412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.111216 (E_RNA)
where:
Base-Base interactions energy: -139.717
where: short stacking energy: -53.902
Base-Backbone interact. energy: -0.010
local terms energy: -65.384326
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -16.834
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: 9, replica: 4
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -193.752791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.752791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.852028 (E_RNA)
where:
Base-Base interactions energy: -139.082
where: short stacking energy: -54.707
Base-Backbone interact. energy: -0.000
local terms energy: -54.769181
where:
bonds (distance) C4'-P energy: -10.563
bonds (distance) P-C4' energy: -8.982
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -13.981
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: 7
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -189.335619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.335619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.391721 (E_RNA)
where:
Base-Base interactions energy: -134.051
where: short stacking energy: -54.034
Base-Backbone interact. energy: -0.179
local terms energy: -55.161559
where:
bonds (distance) C4'-P energy: -9.187
bonds (distance) P-C4' energy: -12.464
flat angles C4'-P-C4' energy: -11.615
flat angles P-C4'-P energy: -6.535
tors. eta vs tors. theta energy: -15.361
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: 2
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -222.442059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.442059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.442059 (E_RNA)
where:
Base-Base interactions energy: -154.371
where: short stacking energy: -62.113
Base-Backbone interact. energy: -0.000
local terms energy: -68.070196
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -17.165
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -217.800015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.800015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.906261 (E_RNA)
where:
Base-Base interactions energy: -159.923
where: short stacking energy: -64.280
Base-Backbone interact. energy: -0.003
local terms energy: -57.981111
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -9.331
flat angles P-C4'-P energy: -7.565
tors. eta vs tors. theta energy: -15.939
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: 5
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -216.671082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.671082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.681145 (E_RNA)
where:
Base-Base interactions energy: -163.219
where: short stacking energy: -65.693
Base-Backbone interact. energy: -0.185
local terms energy: -53.276985
where:
bonds (distance) C4'-P energy: -8.493
bonds (distance) P-C4' energy: -7.891
flat angles C4'-P-C4' energy: -13.107
flat angles P-C4'-P energy: -6.294
tors. eta vs tors. theta energy: -17.492
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: 6
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -220.307955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.307955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.384489 (E_RNA)
where:
Base-Base interactions energy: -156.383
where: short stacking energy: -63.551
Base-Backbone interact. energy: -0.047
local terms energy: -63.954477
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -6.340
tors. eta vs tors. theta energy: -17.472
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: 10
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -213.462820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.462820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.523269 (E_RNA)
where:
Base-Base interactions energy: -144.817
where: short stacking energy: -58.231
Base-Backbone interact. energy: -0.034
local terms energy: -68.672330
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -13.354
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -16.757
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: 8
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -209.716499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.716499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.717545 (E_RNA)
where:
Base-Base interactions energy: -147.434
where: short stacking energy: -61.342
Base-Backbone interact. energy: 0.964
local terms energy: -63.247189
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -10.456
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: -16.130
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: 466
Temperature: 1.200000
Total energy: -206.034346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.034346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.124017 (E_RNA)
where:
Base-Base interactions energy: -142.721
where: short stacking energy: -57.093
Base-Backbone interact. energy: -0.004
local terms energy: -63.399127
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -8.452
tors. eta vs tors. theta energy: -18.044
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: 3
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -203.168050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.168050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.182091 (E_RNA)
where:
Base-Base interactions energy: -148.707
where: short stacking energy: -53.228
Base-Backbone interact. energy: 1.128
local terms energy: -55.603357
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -9.432
flat angles C4'-P-C4' energy: -11.880
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -12.626
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: 7
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -193.006693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.006693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.099962 (E_RNA)
where:
Base-Base interactions energy: -140.822
where: short stacking energy: -54.731
Base-Backbone interact. energy: -0.656
local terms energy: -51.621681
where:
bonds (distance) C4'-P energy: -6.538
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -10.644
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -11.071
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: 4
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -194.206877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.206877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.555149 (E_RNA)
where:
Base-Base interactions energy: -133.305
where: short stacking energy: -54.287
Base-Backbone interact. energy: -0.630
local terms energy: -60.620358
where:
bonds (distance) C4'-P energy: -8.637
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: -13.125
Dist. restrs. and SS energy: 0.348 (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: 2
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -214.379312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.379312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.417973 (E_RNA)
where:
Base-Base interactions energy: -148.768
where: short stacking energy: -59.452
Base-Backbone interact. energy: -0.000
local terms energy: -65.649416
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -11.857
flat angles C4'-P-C4' energy: -12.331
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -19.078
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: 5
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -235.533370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.533370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.603312 (E_RNA)
where:
Base-Base interactions energy: -171.485
where: short stacking energy: -70.922
Base-Backbone interact. energy: -0.031
local terms energy: -64.087933
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -10.946
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -6.962
tors. eta vs tors. theta energy: -18.303
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: 1
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -206.238404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.238404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.249246 (E_RNA)
where:
Base-Base interactions energy: -140.287
where: short stacking energy: -53.690
Base-Backbone interact. energy: -0.111
local terms energy: -65.850622
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -16.010
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -11.087
tors. eta vs tors. theta energy: -12.675
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: 10
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -218.137517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.137517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.168774 (E_RNA)
where:
Base-Base interactions energy: -166.394
where: short stacking energy: -63.580
Base-Backbone interact. energy: -0.011
local terms energy: -51.763786
where:
bonds (distance) C4'-P energy: -8.687
bonds (distance) P-C4' energy: -8.273
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -3.879
tors. eta vs tors. theta energy: -18.075
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: 6
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -210.959610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.959610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.011997 (E_RNA)
where:
Base-Base interactions energy: -143.025
where: short stacking energy: -57.886
Base-Backbone interact. energy: 0.117
local terms energy: -68.103971
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -16.960
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: 6, replica: 9
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -204.319326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.319326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.438064 (E_RNA)
where:
Base-Base interactions energy: -138.909
where: short stacking energy: -51.175
Base-Backbone interact. energy: -0.081
local terms energy: -65.448200
where:
bonds (distance) C4'-P energy: -12.913
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -15.024
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: 8
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -204.743116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.743116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.826886 (E_RNA)
where:
Base-Base interactions energy: -139.746
where: short stacking energy: -55.692
Base-Backbone interact. energy: -0.410
local terms energy: -64.671431
where:
bonds (distance) C4'-P energy: -10.158
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -12.180
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -15.701
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: 7
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -194.388930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.388930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.406477 (E_RNA)
where:
Base-Base interactions energy: -145.190
where: short stacking energy: -58.800
Base-Backbone interact. energy: -0.080
local terms energy: -49.136705
where:
bonds (distance) C4'-P energy: -6.182
bonds (distance) P-C4' energy: -13.020
flat angles C4'-P-C4' energy: -11.266
flat angles P-C4'-P energy: -6.746
tors. eta vs tors. theta energy: -11.923
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: 3
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -194.903504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.903504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.960446 (E_RNA)
where:
Base-Base interactions energy: -134.081
where: short stacking energy: -49.894
Base-Backbone interact. energy: 0.985
local terms energy: -61.864270
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -11.773
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: 10, replica: 4
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -193.224660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.224660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.297433 (E_RNA)
where:
Base-Base interactions energy: -136.309
where: short stacking energy: -54.401
Base-Backbone interact. energy: -0.166
local terms energy: -56.823030
where:
bonds (distance) C4'-P energy: -9.156
bonds (distance) P-C4' energy: -9.020
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: -14.826
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: 2
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -222.113699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.113699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.296798 (E_RNA)
where:
Base-Base interactions energy: -151.723
where: short stacking energy: -59.105
Base-Backbone interact. energy: -0.091
local terms energy: -70.482531
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -15.024
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: 2, replica: 5
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -233.068263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.068263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.068263 (E_RNA)
where:
Base-Base interactions energy: -170.649
where: short stacking energy: -67.850
Base-Backbone interact. energy: -0.260
local terms energy: -62.159644
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -5.623
tors. eta vs tors. theta energy: -16.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -209.672726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.672726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.816646 (E_RNA)
where:
Base-Base interactions energy: -147.995
where: short stacking energy: -57.221
Base-Backbone interact. energy: 0.311
local terms energy: -62.132434
where:
bonds (distance) C4'-P energy: -11.051
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -13.076
flat angles P-C4'-P energy: -7.077
tors. eta vs tors. theta energy: -15.162
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: 4, replica: 1
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -214.250675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.250675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.270816 (E_RNA)
where:
Base-Base interactions energy: -155.265
where: short stacking energy: -60.332
Base-Backbone interact. energy: -0.001
local terms energy: -59.004050
where:
bonds (distance) C4'-P energy: -11.976
bonds (distance) P-C4' energy: -10.992
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -5.584
tors. eta vs tors. theta energy: -17.283
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: 6
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -209.906834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.906834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.919083 (E_RNA)
where:
Base-Base interactions energy: -151.680
where: short stacking energy: -59.907
Base-Backbone interact. energy: -0.001
local terms energy: -58.237719
where:
bonds (distance) C4'-P energy: -7.465
bonds (distance) P-C4' energy: -7.595
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -17.175
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: 9
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -203.285679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.285679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.285679 (E_RNA)
where:
Base-Base interactions energy: -140.884
where: short stacking energy: -56.065
Base-Backbone interact. energy: -0.005
local terms energy: -62.396617
where:
bonds (distance) C4'-P energy: -13.153
bonds (distance) P-C4' energy: -10.063
flat angles C4'-P-C4' energy: -13.509
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -15.662
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -204.853177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.853177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.892603 (E_RNA)
where:
Base-Base interactions energy: -146.318
where: short stacking energy: -55.114
Base-Backbone interact. energy: -0.075
local terms energy: -58.499197
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -13.232
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -12.061
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: 8
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -196.809723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.809723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.829111 (E_RNA)
where:
Base-Base interactions energy: -140.444
where: short stacking energy: -54.452
Base-Backbone interact. energy: -0.428
local terms energy: -55.956553
where:
bonds (distance) C4'-P energy: -9.234
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -10.639
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: 468
Temperature: 1.300000
Total energy: -199.937351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.937351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.976517 (E_RNA)
where:
Base-Base interactions energy: -147.812
where: short stacking energy: -61.528
Base-Backbone interact. energy: -0.000
local terms energy: -52.163990
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -6.490
flat angles C4'-P-C4' energy: -11.086
flat angles P-C4'-P energy: -7.800
tors. eta vs tors. theta energy: -15.464
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: 10, replica: 3
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -194.452230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.452230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.560478 (E_RNA)
where:
Base-Base interactions energy: -133.768
where: short stacking energy: -49.462
Base-Backbone interact. energy: -0.001
local terms energy: -60.792180
where:
bonds (distance) C4'-P energy: -12.539
bonds (distance) P-C4' energy: -10.856
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: -13.252
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: 2
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -217.008514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.008514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.008514 (E_RNA)
where:
Base-Base interactions energy: -150.327
where: short stacking energy: -59.696
Base-Backbone interact. energy: -0.004
local terms energy: -66.677824
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -16.184
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -226.938094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.938094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.954872 (E_RNA)
where:
Base-Base interactions energy: -171.621
where: short stacking energy: -69.510
Base-Backbone interact. energy: 0.018
local terms energy: -55.351662
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -11.060
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -1.646
tors. eta vs tors. theta energy: -16.531
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: 5
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -229.278002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.278002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.317267 (E_RNA)
where:
Base-Base interactions energy: -168.425
where: short stacking energy: -65.257
Base-Backbone interact. energy: -0.013
local terms energy: -60.879432
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -11.408
flat angles P-C4'-P energy: -6.480
tors. eta vs tors. theta energy: -14.697
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: 469
Temperature: 1.050000
Total energy: -217.450294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.450294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.492084 (E_RNA)
where:
Base-Base interactions energy: -164.965
where: short stacking energy: -66.880
Base-Backbone interact. energy: -0.231
local terms energy: -52.296677
where:
bonds (distance) C4'-P energy: -9.664
bonds (distance) P-C4' energy: -10.637
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -4.973
tors. eta vs tors. theta energy: -13.879
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: 469
Temperature: 1.100000
Total energy: -216.814963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.814963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.842564 (E_RNA)
where:
Base-Base interactions energy: -159.184
where: short stacking energy: -61.443
Base-Backbone interact. energy: -0.002
local terms energy: -57.656861
where:
bonds (distance) C4'-P energy: -11.250
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -11.080
flat angles P-C4'-P energy: -6.537
tors. eta vs tors. theta energy: -15.575
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: 469
Temperature: 1.150000
Total energy: -220.364277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.364277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.488325 (E_RNA)
where:
Base-Base interactions energy: -158.216
where: short stacking energy: -63.082
Base-Backbone interact. energy: -0.132
local terms energy: -62.140461
where:
bonds (distance) C4'-P energy: -11.423
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -10.345
flat angles P-C4'-P energy: -5.452
tors. eta vs tors. theta energy: -17.972
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: 9
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -196.169360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.169360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.279280 (E_RNA)
where:
Base-Base interactions energy: -139.284
where: short stacking energy: -55.505
Base-Backbone interact. energy: 0.261
local terms energy: -57.256068
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -11.707
flat angles C4'-P-C4' energy: -11.019
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -12.887
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: 4
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -199.175226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.175226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.202006 (E_RNA)
where:
Base-Base interactions energy: -137.384
where: short stacking energy: -55.741
Base-Backbone interact. energy: -0.280
local terms energy: -61.538252
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -10.960
flat angles C4'-P-C4' energy: -11.060
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -19.342
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: 8
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -198.371910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.371910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.377200 (E_RNA)
where:
Base-Base interactions energy: -141.512
where: short stacking energy: -59.777
Base-Backbone interact. energy: -0.004
local terms energy: -56.861574
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -7.609
flat angles P-C4'-P energy: -6.906
tors. eta vs tors. theta energy: -17.959
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: 3
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -196.972469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.972469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.009008 (E_RNA)
where:
Base-Base interactions energy: -142.021
where: short stacking energy: -52.650
Base-Backbone interact. energy: -0.076
local terms energy: -54.911779
where:
bonds (distance) C4'-P energy: -8.530
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -9.645
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -14.863
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: 10
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -232.088604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.088604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.199317 (E_RNA)
where:
Base-Base interactions energy: -168.342
where: short stacking energy: -67.336
Base-Backbone interact. energy: -0.012
local terms energy: -63.845447
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -11.942
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -5.772
tors. eta vs tors. theta energy: -20.472
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: 2
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -216.974010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.974010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.992491 (E_RNA)
where:
Base-Base interactions energy: -149.228
where: short stacking energy: -63.940
Base-Backbone interact. energy: 1.322
local terms energy: -69.086466
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -16.589
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: 6
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -213.266449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.266449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.313982 (E_RNA)
where:
Base-Base interactions energy: -150.687
where: short stacking energy: -63.961
Base-Backbone interact. energy: -0.238
local terms energy: -62.388706
where:
bonds (distance) C4'-P energy: -9.809
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -7.784
tors. eta vs tors. theta energy: -17.538
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: 5
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -209.760911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.760911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.837806 (E_RNA)
where:
Base-Base interactions energy: -145.121
where: short stacking energy: -60.821
Base-Backbone interact. energy: -0.042
local terms energy: -64.675264
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -11.889
flat angles C4'-P-C4' energy: -12.728
flat angles P-C4'-P energy: -11.285
tors. eta vs tors. theta energy: -16.625
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: 470
Temperature: 1.100000
Total energy: -219.406139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.406139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.502866 (E_RNA)
where:
Base-Base interactions energy: -161.969
where: short stacking energy: -61.924
Base-Backbone interact. energy: 0.975
local terms energy: -58.509391
where:
bonds (distance) C4'-P energy: -11.252
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -5.729
tors. eta vs tors. theta energy: -15.470
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: 470
Temperature: 1.150000
Total energy: -207.590787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.590787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.732414 (E_RNA)
where:
Base-Base interactions energy: -151.544
where: short stacking energy: -59.338
Base-Backbone interact. energy: -0.038
local terms energy: -56.150806
where:
bonds (distance) C4'-P energy: -7.921
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -3.983
tors. eta vs tors. theta energy: -14.705
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: 7, replica: 4
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -206.127145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.127145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.202577 (E_RNA)
where:
Base-Base interactions energy: -153.026
where: short stacking energy: -62.511
Base-Backbone interact. energy: -0.050
local terms energy: -53.126705
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -9.324
flat angles C4'-P-C4' energy: -8.883
flat angles P-C4'-P energy: -5.619
tors. eta vs tors. theta energy: -16.180
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: 9
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -196.050748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.050748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.050748 (E_RNA)
where:
Base-Base interactions energy: -141.283
where: short stacking energy: -57.582
Base-Backbone interact. energy: -0.412
local terms energy: -54.355300
where:
bonds (distance) C4'-P energy: -10.948
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -5.223
tors. eta vs tors. theta energy: -11.565
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -194.652078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.652078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.662389 (E_RNA)
where:
Base-Base interactions energy: -137.797
where: short stacking energy: -52.217
Base-Backbone interact. energy: -0.150
local terms energy: -56.715977
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -9.382
flat angles C4'-P-C4' energy: -9.762
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -15.161
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: 8
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -196.374432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.374432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.509136 (E_RNA)
where:
Base-Base interactions energy: -137.616
where: short stacking energy: -59.897
Base-Backbone interact. energy: -0.185
local terms energy: -58.707976
where:
bonds (distance) C4'-P energy: -8.687
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -11.285
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -16.971
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: 1, replica: 10
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -232.100289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.100289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.136676 (E_RNA)
where:
Base-Base interactions energy: -171.838
where: short stacking energy: -66.851
Base-Backbone interact. energy: -0.158
local terms energy: -60.140639
where:
bonds (distance) C4'-P energy: -11.110
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -3.239
tors. eta vs tors. theta energy: -17.818
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: 471
Temperature: 0.950000
Total energy: -220.124462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.124462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.144061 (E_RNA)
where:
Base-Base interactions energy: -156.639
where: short stacking energy: -65.419
Base-Backbone interact. energy: -0.000
local terms energy: -63.504563
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -10.576
flat angles C4'-P-C4' energy: -12.556
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -17.014
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: 2
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -217.190708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.190708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.192615 (E_RNA)
where:
Base-Base interactions energy: -153.266
where: short stacking energy: -67.138
Base-Backbone interact. energy: -0.028
local terms energy: -63.898842
where:
bonds (distance) C4'-P energy: -9.904
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -17.360
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: 7
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -219.243343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.243343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.417694 (E_RNA)
where:
Base-Base interactions energy: -151.358
where: short stacking energy: -65.144
Base-Backbone interact. energy: -0.003
local terms energy: -68.057334
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -6.432
tors. eta vs tors. theta energy: -19.246
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: 5, replica: 5
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -215.762417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.762417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.828544 (E_RNA)
where:
Base-Base interactions energy: -149.511
where: short stacking energy: -65.434
Base-Backbone interact. energy: -0.016
local terms energy: -66.301913
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -10.796
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -17.721
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: 6, replica: 4
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -209.583017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.583017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.635448 (E_RNA)
where:
Base-Base interactions energy: -140.563
where: short stacking energy: -55.880
Base-Backbone interact. energy: -0.011
local terms energy: -69.061404
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -17.394
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: 1
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -202.510661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.510661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.514039 (E_RNA)
where:
Base-Base interactions energy: -137.637
where: short stacking energy: -58.782
Base-Backbone interact. energy: -0.045
local terms energy: -64.832336
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -16.079
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: 3
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -205.563160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.563160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.615347 (E_RNA)
where:
Base-Base interactions energy: -147.565
where: short stacking energy: -52.827
Base-Backbone interact. energy: -0.010
local terms energy: -58.039507
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -3.987
tors. eta vs tors. theta energy: -17.668
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: 9
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -186.069096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.069096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.181629 (E_RNA)
where:
Base-Base interactions energy: -128.919
where: short stacking energy: -49.480
Base-Backbone interact. energy: -0.070
local terms energy: -57.193121
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -12.812
flat angles C4'-P-C4' energy: -11.649
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -10.644
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: 10, replica: 8
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -191.575967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.575967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.996279 (E_RNA)
where:
Base-Base interactions energy: -129.448
where: short stacking energy: -55.431
Base-Backbone interact. energy: 0.153
local terms energy: -62.701782
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -8.574
tors. eta vs tors. theta energy: -15.125
Dist. restrs. and SS energy: 0.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -233.306476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.306476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.336877 (E_RNA)
where:
Base-Base interactions energy: -175.662
where: short stacking energy: -71.933
Base-Backbone interact. energy: -0.050
local terms energy: -57.624714
where:
bonds (distance) C4'-P energy: -10.596
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -11.976
flat angles P-C4'-P energy: -2.110
tors. eta vs tors. theta energy: -18.208
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: 472
Temperature: 0.950000
Total energy: -222.620278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.620278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.644032 (E_RNA)
where:
Base-Base interactions energy: -151.861
where: short stacking energy: -63.512
Base-Backbone interact. energy: -0.063
local terms energy: -70.719663
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -13.371
flat angles P-C4'-P energy: -13.016
tors. eta vs tors. theta energy: -16.396
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: 472
Temperature: 1.000000
Total energy: -214.848080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.848080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.864883 (E_RNA)
where:
Base-Base interactions energy: -150.140
where: short stacking energy: -62.729
Base-Backbone interact. energy: 0.440
local terms energy: -65.164637
where:
bonds (distance) C4'-P energy: -9.723
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -15.737
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: 7
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -207.256212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.256212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.364194 (E_RNA)
where:
Base-Base interactions energy: -148.855
where: short stacking energy: -57.547
Base-Backbone interact. energy: -0.008
local terms energy: -58.500719
where:
bonds (distance) C4'-P energy: -14.954
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -4.112
tors. eta vs tors. theta energy: -13.258
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: 472
Temperature: 1.100000
Total energy: -222.354522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.354522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.535683 (E_RNA)
where:
Base-Base interactions energy: -160.771
where: short stacking energy: -59.574
Base-Backbone interact. energy: -0.004
local terms energy: -61.760687
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -12.932
flat angles P-C4'-P energy: -5.063
tors. eta vs tors. theta energy: -16.803
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: 6, replica: 4
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -204.602819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.602819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.714836 (E_RNA)
where:
Base-Base interactions energy: -141.624
where: short stacking energy: -54.602
Base-Backbone interact. energy: -0.003
local terms energy: -63.087584
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -10.831
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -15.150
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: 3
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -204.951416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.951416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.991406 (E_RNA)
where:
Base-Base interactions energy: -143.238
where: short stacking energy: -54.961
Base-Backbone interact. energy: -0.056
local terms energy: -61.696961
where:
bonds (distance) C4'-P energy: -10.840
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -10.546
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: 1
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -194.515554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.515554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.515554 (E_RNA)
where:
Base-Base interactions energy: -133.465
where: short stacking energy: -52.746
Base-Backbone interact. energy: -0.665
local terms energy: -60.385803
where:
bonds (distance) C4'-P energy: -8.178
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -9.335
tors. eta vs tors. theta energy: -15.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -196.064796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.064796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.246799 (E_RNA)
where:
Base-Base interactions energy: -139.343
where: short stacking energy: -54.211
Base-Backbone interact. energy: -0.062
local terms energy: -56.842522
where:
bonds (distance) C4'-P energy: -9.968
bonds (distance) P-C4' energy: -11.660
flat angles C4'-P-C4' energy: -11.759
flat angles P-C4'-P energy: -7.252
tors. eta vs tors. theta energy: -16.204
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: 9
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -192.541342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.541342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.950644 (E_RNA)
where:
Base-Base interactions energy: -130.097
where: short stacking energy: -56.643
Base-Backbone interact. energy: -0.002
local terms energy: -62.851615
where:
bonds (distance) C4'-P energy: -13.447
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -14.001
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: 1, replica: 10
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -230.083677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.083677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.091952 (E_RNA)
where:
Base-Base interactions energy: -166.006
where: short stacking energy: -67.043
Base-Backbone interact. energy: -0.088
local terms energy: -63.998359
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -7.547
tors. eta vs tors. theta energy: -15.498
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: 473
Temperature: 0.950000
Total energy: -212.478367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.478367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.591872 (E_RNA)
where:
Base-Base interactions energy: -146.522
where: short stacking energy: -59.927
Base-Backbone interact. energy: -0.008
local terms energy: -66.062306
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -13.069
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -15.828
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: 6
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -217.543269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.543269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.631067 (E_RNA)
where:
Base-Base interactions energy: -153.459
where: short stacking energy: -62.047
Base-Backbone interact. energy: -0.002
local terms energy: -64.170108
where:
bonds (distance) C4'-P energy: -11.225
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -15.789
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: 5
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -209.790478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.790478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.806017 (E_RNA)
where:
Base-Base interactions energy: -145.618
where: short stacking energy: -57.822
Base-Backbone interact. energy: 0.670
local terms energy: -64.858515
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -13.404
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: 7
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -205.949303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.949303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.959682 (E_RNA)
where:
Base-Base interactions energy: -142.430
where: short stacking energy: -58.416
Base-Backbone interact. energy: 0.387
local terms energy: -63.916162
where:
bonds (distance) C4'-P energy: -11.402
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -12.501
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -16.784
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: 4
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -206.947561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.947561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.995136 (E_RNA)
where:
Base-Base interactions energy: -147.226
where: short stacking energy: -60.253
Base-Backbone interact. energy: -0.001
local terms energy: -59.768762
where:
bonds (distance) C4'-P energy: -10.117
bonds (distance) P-C4' energy: -9.831
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -17.015
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: 473
Temperature: 1.200000
Total energy: -195.283652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.283652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.462557 (E_RNA)
where:
Base-Base interactions energy: -139.321
where: short stacking energy: -57.470
Base-Backbone interact. energy: -0.093
local terms energy: -56.048644
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -12.342
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -6.796
tors. eta vs tors. theta energy: -14.522
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: 8, replica: 8
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -201.702873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.702873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.846724 (E_RNA)
where:
Base-Base interactions energy: -143.964
where: short stacking energy: -57.756
Base-Backbone interact. energy: -0.085
local terms energy: -57.797347
where:
bonds (distance) C4'-P energy: -7.615
bonds (distance) P-C4' energy: -10.992
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -14.023
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: 1
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -207.846834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.846834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.102216 (E_RNA)
where:
Base-Base interactions energy: -151.271
where: short stacking energy: -60.583
Base-Backbone interact. energy: -0.005
local terms energy: -56.826406
where:
bonds (distance) C4'-P energy: -8.223
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -2.647
tors. eta vs tors. theta energy: -17.483
Dist. restrs. and SS energy: 0.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -196.511225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.511225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.572273 (E_RNA)
where:
Base-Base interactions energy: -145.872
where: short stacking energy: -56.927
Base-Backbone interact. energy: -0.873
local terms energy: -49.828063
where:
bonds (distance) C4'-P energy: -10.136
bonds (distance) P-C4' energy: -10.284
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -6.814
tors. eta vs tors. theta energy: -8.428
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: 10
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -227.193153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.193153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.221483 (E_RNA)
where:
Base-Base interactions energy: -167.215
where: short stacking energy: -65.795
Base-Backbone interact. energy: -0.001
local terms energy: -60.005372
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -4.198
tors. eta vs tors. theta energy: -17.617
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: 474
Temperature: 0.950000
Total energy: -217.034063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.034063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.062966 (E_RNA)
where:
Base-Base interactions energy: -148.582
where: short stacking energy: -62.291
Base-Backbone interact. energy: -0.000
local terms energy: -68.480695
where:
bonds (distance) C4'-P energy: -12.156
bonds (distance) P-C4' energy: -11.897
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -18.950
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: 6
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -212.602539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.602539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.602539 (E_RNA)
where:
Base-Base interactions energy: -148.466
where: short stacking energy: -57.041
Base-Backbone interact. energy: -0.008
local terms energy: -64.129121
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -11.578
flat angles P-C4'-P energy: -9.876
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: 5
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -206.932541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.932541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.949960 (E_RNA)
where:
Base-Base interactions energy: -143.911
where: short stacking energy: -51.376
Base-Backbone interact. energy: -0.173
local terms energy: -62.866352
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -12.987
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -12.941
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: 4
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -211.663198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.663198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.731744 (E_RNA)
where:
Base-Base interactions energy: -151.771
where: short stacking energy: -65.333
Base-Backbone interact. energy: -0.178
local terms energy: -59.782823
where:
bonds (distance) C4'-P energy: -10.674
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -11.562
flat angles P-C4'-P energy: -6.704
tors. eta vs tors. theta energy: -17.153
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: 7
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -206.314379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.314379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.404071 (E_RNA)
where:
Base-Base interactions energy: -141.746
where: short stacking energy: -56.669
Base-Backbone interact. energy: -0.524
local terms energy: -64.134420
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -7.622
tors. eta vs tors. theta energy: -15.777
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: 7, replica: 8
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -200.638366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.638366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.765580 (E_RNA)
where:
Base-Base interactions energy: -139.118
where: short stacking energy: -57.973
Base-Backbone interact. energy: -0.000
local terms energy: -61.647571
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -8.830
flat angles C4'-P-C4' energy: -13.051
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -15.724
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: 8, replica: 3
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -203.760854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.760854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.771621 (E_RNA)
where:
Base-Base interactions energy: -137.376
where: short stacking energy: -52.190
Base-Backbone interact. energy: -0.001
local terms energy: -66.394094
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -11.567
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -17.235
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: 1
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -195.185448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.185448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.208561 (E_RNA)
where:
Base-Base interactions energy: -143.057
where: short stacking energy: -56.928
Base-Backbone interact. energy: -0.013
local terms energy: -52.138950
where:
bonds (distance) C4'-P energy: -7.305
bonds (distance) P-C4' energy: -9.213
flat angles C4'-P-C4' energy: -11.521
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -14.233
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: 10, replica: 9
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -186.366888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.366888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.419211 (E_RNA)
where:
Base-Base interactions energy: -149.197
where: short stacking energy: -63.058
Base-Backbone interact. energy: -0.002
local terms energy: -37.220311
where:
bonds (distance) C4'-P energy: -2.046
bonds (distance) P-C4' energy: -6.587
flat angles C4'-P-C4' energy: -9.340
flat angles P-C4'-P energy: -5.079
tors. eta vs tors. theta energy: -14.169
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: 10
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -226.007548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.007548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.042931 (E_RNA)
where:
Base-Base interactions energy: -166.567
where: short stacking energy: -70.442
Base-Backbone interact. energy: -0.022
local terms energy: -59.453686
where:
bonds (distance) C4'-P energy: -10.770
bonds (distance) P-C4' energy: -12.918
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -14.082
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: 6
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -222.520837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.520837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.627727 (E_RNA)
where:
Base-Base interactions energy: -160.366
where: short stacking energy: -62.842
Base-Backbone interact. energy: -0.004
local terms energy: -62.258128
where:
bonds (distance) C4'-P energy: -12.093
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -4.214
tors. eta vs tors. theta energy: -18.294
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: 2
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -208.381501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.381501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.397660 (E_RNA)
where:
Base-Base interactions energy: -148.738
where: short stacking energy: -58.686
Base-Backbone interact. energy: -0.110
local terms energy: -59.549498
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -11.376
flat angles P-C4'-P energy: -5.733
tors. eta vs tors. theta energy: -12.550
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: 4
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -212.546308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.546308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.585592 (E_RNA)
where:
Base-Base interactions energy: -146.768
where: short stacking energy: -59.816
Base-Backbone interact. energy: -0.003
local terms energy: -65.815037
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -12.639
flat angles C4'-P-C4' energy: -13.407
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -14.807
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: 5
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -212.949942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.949942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.038017 (E_RNA)
where:
Base-Base interactions energy: -146.773
where: short stacking energy: -60.873
Base-Backbone interact. energy: -0.034
local terms energy: -66.231193
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -11.695
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -17.190
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: 8
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -192.907229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.907229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.979361 (E_RNA)
where:
Base-Base interactions energy: -133.718
where: short stacking energy: -52.318
Base-Backbone interact. energy: -0.004
local terms energy: -59.256560
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -11.569
flat angles C4'-P-C4' energy: -11.537
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -13.760
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: 7
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -205.743100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.743100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.790485 (E_RNA)
where:
Base-Base interactions energy: -142.231
where: short stacking energy: -60.019
Base-Backbone interact. energy: -0.480
local terms energy: -63.079329
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -7.776
tors. eta vs tors. theta energy: -14.531
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: 475
Temperature: 1.250000
Total energy: -199.472097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.472097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.472097 (E_RNA)
where:
Base-Base interactions energy: -150.516
where: short stacking energy: -52.981
Base-Backbone interact. energy: -0.007
local terms energy: -48.949123
where:
bonds (distance) C4'-P energy: -10.488
bonds (distance) P-C4' energy: -7.748
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -3.315
tors. eta vs tors. theta energy: -12.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -192.234836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.234836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.322705 (E_RNA)
where:
Base-Base interactions energy: -134.874
where: short stacking energy: -53.911
Base-Backbone interact. energy: 0.189
local terms energy: -57.638001
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -10.578
flat angles P-C4'-P energy: -5.240
tors. eta vs tors. theta energy: -15.184
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: 10, replica: 9
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -188.539081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.539081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.590492 (E_RNA)
where:
Base-Base interactions energy: -132.307
where: short stacking energy: -50.421
Base-Backbone interact. energy: -0.087
local terms energy: -56.196132
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -9.616
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -6.091
tors. eta vs tors. theta energy: -14.831
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: 1, replica: 6
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -220.856353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.856353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.856353 (E_RNA)
where:
Base-Base interactions energy: -162.770
where: short stacking energy: -64.872
Base-Backbone interact. energy: -0.102
local terms energy: -57.984322
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -11.875
flat angles C4'-P-C4' energy: -11.320
flat angles P-C4'-P energy: -6.874
tors. eta vs tors. theta energy: -16.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -219.020049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.020049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.058459 (E_RNA)
where:
Base-Base interactions energy: -158.420
where: short stacking energy: -64.346
Base-Backbone interact. energy: -0.048
local terms energy: -60.590612
where:
bonds (distance) C4'-P energy: -8.865
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -14.724
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: 4
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -206.787297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.787297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.794251 (E_RNA)
where:
Base-Base interactions energy: -142.462
where: short stacking energy: -56.280
Base-Backbone interact. energy: -0.115
local terms energy: -64.217791
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -12.466
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: 476
Temperature: 1.050000
Total energy: -215.130041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.130041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.151391 (E_RNA)
where:
Base-Base interactions energy: -156.831
where: short stacking energy: -60.318
Base-Backbone interact. energy: 0.410
local terms energy: -58.729880
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -12.528
flat angles C4'-P-C4' energy: -12.405
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -13.345
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: 5
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -209.883101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.883101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.148770 (E_RNA)
where:
Base-Base interactions energy: -151.758
where: short stacking energy: -61.764
Base-Backbone interact. energy: 0.873
local terms energy: -59.264526
where:
bonds (distance) C4'-P energy: -10.881
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -7.570
tors. eta vs tors. theta energy: -13.180
Dist. restrs. and SS energy: 0.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -205.941159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.941159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.945006 (E_RNA)
where:
Base-Base interactions energy: -140.960
where: short stacking energy: -62.052
Base-Backbone interact. energy: 1.337
local terms energy: -66.322268
where:
bonds (distance) C4'-P energy: -12.500
bonds (distance) P-C4' energy: -13.656
flat angles C4'-P-C4' energy: -12.706
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -15.317
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: 7, replica: 1
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -205.022529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.022529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.079154 (E_RNA)
where:
Base-Base interactions energy: -143.851
where: short stacking energy: -56.903
Base-Backbone interact. energy: -0.000
local terms energy: -61.227850
where:
bonds (distance) C4'-P energy: -10.397
bonds (distance) P-C4' energy: -13.942
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -8.405
tors. eta vs tors. theta energy: -14.032
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: 476
Temperature: 1.250000
Total energy: -197.441767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.441767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.474337 (E_RNA)
where:
Base-Base interactions energy: -142.092
where: short stacking energy: -56.458
Base-Backbone interact. energy: -0.680
local terms energy: -54.703151
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -9.150
flat angles C4'-P-C4' energy: -8.593
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -13.946
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: 9
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -193.733418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.733418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.072162 (E_RNA)
where:
Base-Base interactions energy: -133.959
where: short stacking energy: -50.225
Base-Backbone interact. energy: -0.471
local terms energy: -59.642719
where:
bonds (distance) C4'-P energy: -9.400
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -13.653
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -13.331
Dist. restrs. and SS energy: 0.339 (S_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: 476
Temperature: 1.350000
Total energy: -187.814681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.814681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.849397 (E_RNA)
where:
Base-Base interactions energy: -129.137
where: short stacking energy: -50.350
Base-Backbone interact. energy: -0.444
local terms energy: -58.268936
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -10.231
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -12.031
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: 6
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -236.281806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.281806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.343646 (E_RNA)
where:
Base-Base interactions energy: -168.715
where: short stacking energy: -68.648
Base-Backbone interact. energy: -0.483
local terms energy: -67.145864
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -6.263
tors. eta vs tors. theta energy: -18.933
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: 4
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -213.852725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.852725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.872121 (E_RNA)
where:
Base-Base interactions energy: -146.053
where: short stacking energy: -59.805
Base-Backbone interact. energy: -0.002
local terms energy: -67.817993
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -12.338
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -12.464
tors. eta vs tors. theta energy: -14.310
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: 477
Temperature: 1.000000
Total energy: -230.231844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.231844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.290768 (E_RNA)
where:
Base-Base interactions energy: -166.898
where: short stacking energy: -65.153
Base-Backbone interact. energy: -0.211
local terms energy: -63.181915
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -12.319
flat angles P-C4'-P energy: -4.763
tors. eta vs tors. theta energy: -18.005
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: 5
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -211.183990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.183990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.204185 (E_RNA)
where:
Base-Base interactions energy: -149.576
where: short stacking energy: -57.339
Base-Backbone interact. energy: -0.164
local terms energy: -61.464075
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -12.246
flat angles C4'-P-C4' energy: -11.137
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -15.226
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: 2
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -216.756428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.756428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.758123 (E_RNA)
where:
Base-Base interactions energy: -163.725
where: short stacking energy: -62.197
Base-Backbone interact. energy: -0.013
local terms energy: -53.019981
where:
bonds (distance) C4'-P energy: -10.239
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -10.630
flat angles P-C4'-P energy: -3.643
tors. eta vs tors. theta energy: -14.142
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: 1
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -203.262722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.262722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.571736 (E_RNA)
where:
Base-Base interactions energy: -154.124
where: short stacking energy: -63.949
Base-Backbone interact. energy: -0.658
local terms energy: -48.790263
where:
bonds (distance) C4'-P energy: -11.344
bonds (distance) P-C4' energy: -8.588
flat angles C4'-P-C4' energy: -11.277
flat angles P-C4'-P energy: -6.431
tors. eta vs tors. theta energy: -11.150
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: 7, replica: 8
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -206.675742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.675742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.739272 (E_RNA)
where:
Base-Base interactions energy: -148.313
where: short stacking energy: -58.858
Base-Backbone interact. energy: -0.036
local terms energy: -58.390279
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -9.941
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: -12.750
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: 477
Temperature: 1.250000
Total energy: -200.296957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.296957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.324885 (E_RNA)
where:
Base-Base interactions energy: -142.919
where: short stacking energy: -55.863
Base-Backbone interact. energy: -0.089
local terms energy: -57.316732
where:
bonds (distance) C4'-P energy: -9.569
bonds (distance) P-C4' energy: -10.179
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -13.527
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: 7
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -209.601280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.601280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.620748 (E_RNA)
where:
Base-Base interactions energy: -158.626
where: short stacking energy: -62.242
Base-Backbone interact. energy: -0.295
local terms energy: -50.699301
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -5.588
flat angles C4'-P-C4' energy: -11.174
flat angles P-C4'-P energy: -6.098
tors. eta vs tors. theta energy: -13.923
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: 3
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -190.586970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.586970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.638549 (E_RNA)
where:
Base-Base interactions energy: -136.153
where: short stacking energy: -54.066
Base-Backbone interact. energy: -0.027
local terms energy: -54.457958
where:
bonds (distance) C4'-P energy: -10.534
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -11.390
flat angles P-C4'-P energy: -7.589
tors. eta vs tors. theta energy: -10.711
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: 6
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -236.394282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.394282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.406280 (E_RNA)
where:
Base-Base interactions energy: -172.137
where: short stacking energy: -70.512
Base-Backbone interact. energy: -0.005
local terms energy: -64.264351
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -13.702
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -2.878
tors. eta vs tors. theta energy: -20.265
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: 2, replica: 4
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -223.212919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.212919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.214000 (E_RNA)
where:
Base-Base interactions energy: -158.200
where: short stacking energy: -64.409
Base-Backbone interact. energy: -0.041
local terms energy: -64.972354
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -10.767
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -15.742
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: 5
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -215.905891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.905891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.997238 (E_RNA)
where:
Base-Base interactions energy: -150.218
where: short stacking energy: -59.053
Base-Backbone interact. energy: 0.646
local terms energy: -66.426048
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: -13.379
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: 10
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -224.775624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.775624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.927608 (E_RNA)
where:
Base-Base interactions energy: -162.687
where: short stacking energy: -64.931
Base-Backbone interact. energy: -0.051
local terms energy: -62.189677
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -11.761
flat angles P-C4'-P energy: -5.863
tors. eta vs tors. theta energy: -17.638
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: 5, replica: 1
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -208.782506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.782506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.792044 (E_RNA)
where:
Base-Base interactions energy: -150.726
where: short stacking energy: -64.429
Base-Backbone interact. energy: -0.001
local terms energy: -58.065944
where:
bonds (distance) C4'-P energy: -8.176
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: -6.163
tors. eta vs tors. theta energy: -15.915
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: 6, replica: 2
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -200.718288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.718288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.797334 (E_RNA)
where:
Base-Base interactions energy: -137.281
where: short stacking energy: -55.786
Base-Backbone interact. energy: -0.557
local terms energy: -62.959276
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -11.860
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -14.821
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: 478
Temperature: 1.200000
Total energy: -199.825993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.825993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.087937 (E_RNA)
where:
Base-Base interactions energy: -146.329
where: short stacking energy: -59.860
Base-Backbone interact. energy: -0.005
local terms energy: -53.754081
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -12.030
flat angles C4'-P-C4' energy: -8.964
flat angles P-C4'-P energy: -7.039
tors. eta vs tors. theta energy: -13.932
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: 8, replica: 9
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -202.564854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.564854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.668345 (E_RNA)
where:
Base-Base interactions energy: -135.613
where: short stacking energy: -56.493
Base-Backbone interact. energy: -0.284
local terms energy: -66.771227
where:
bonds (distance) C4'-P energy: -8.820
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -11.067
tors. eta vs tors. theta energy: -17.144
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: 3
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -194.988324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.988324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.097303 (E_RNA)
where:
Base-Base interactions energy: -138.099
where: short stacking energy: -53.804
Base-Backbone interact. energy: -0.060
local terms energy: -56.938470
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -9.308
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -11.142
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: 10, replica: 7
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -190.048119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.048119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.120046 (E_RNA)
where:
Base-Base interactions energy: -135.793
where: short stacking energy: -58.678
Base-Backbone interact. energy: -0.048
local terms energy: -54.279606
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -9.055
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -4.664
tors. eta vs tors. theta energy: -15.010
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: 1, replica: 6
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -232.251741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.251741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.266200 (E_RNA)
where:
Base-Base interactions energy: -168.065
where: short stacking energy: -62.520
Base-Backbone interact. energy: -0.083
local terms energy: -64.118653
where:
bonds (distance) C4'-P energy: -11.251
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: -15.055
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: 4
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -221.416958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.416958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.554630 (E_RNA)
where:
Base-Base interactions energy: -156.168
where: short stacking energy: -64.352
Base-Backbone interact. energy: -0.000
local terms energy: -65.386348
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -14.320
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -14.691
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: 5
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -214.036314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.036314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.058771 (E_RNA)
where:
Base-Base interactions energy: -158.982
where: short stacking energy: -60.563
Base-Backbone interact. energy: -0.270
local terms energy: -54.806894
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -12.443
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -5.381
tors. eta vs tors. theta energy: -12.485
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: 479
Temperature: 1.050000
Total energy: -209.163805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.163805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.197555 (E_RNA)
where:
Base-Base interactions energy: -144.869
where: short stacking energy: -54.713
Base-Backbone interact. energy: -0.297
local terms energy: -64.031575
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -12.335
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -16.150
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: 479
Temperature: 1.100000
Total energy: -208.980330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.980330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.028523 (E_RNA)
where:
Base-Base interactions energy: -148.901
where: short stacking energy: -62.390
Base-Backbone interact. energy: -0.005
local terms energy: -60.122276
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -10.499
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -7.703
tors. eta vs tors. theta energy: -14.595
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: 6, replica: 8
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -212.579720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.579720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.660330 (E_RNA)
where:
Base-Base interactions energy: -146.924
where: short stacking energy: -60.469
Base-Backbone interact. energy: 0.331
local terms energy: -66.067792
where:
bonds (distance) C4'-P energy: -10.551
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -13.568
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -15.704
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: 2
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -199.133275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.133275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.239638 (E_RNA)
where:
Base-Base interactions energy: -137.994
where: short stacking energy: -63.554
Base-Backbone interact. energy: -0.035
local terms energy: -61.211219
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -15.521
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: 8, replica: 9
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -193.796063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.796063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.877375 (E_RNA)
where:
Base-Base interactions energy: -133.930
where: short stacking energy: -55.210
Base-Backbone interact. energy: -0.062
local terms energy: -59.885941
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -13.304
flat angles P-C4'-P energy: -5.182
tors. eta vs tors. theta energy: -13.210
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: 3
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -189.460636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.460636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.549355 (E_RNA)
where:
Base-Base interactions energy: -136.960
where: short stacking energy: -51.216
Base-Backbone interact. energy: -0.015
local terms energy: -52.574712
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -6.985
flat angles C4'-P-C4' energy: -9.796
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -12.248
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: 10, replica: 7
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -191.125780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.125780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.202947 (E_RNA)
where:
Base-Base interactions energy: -130.701
where: short stacking energy: -52.950
Base-Backbone interact. energy: -0.263
local terms energy: -60.239019
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -12.011
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: 4
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -213.727500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.727500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.731627 (E_RNA)
where:
Base-Base interactions energy: -146.131
where: short stacking energy: -63.623
Base-Backbone interact. energy: -0.033
local terms energy: -67.567335
where:
bonds (distance) C4'-P energy: -12.261
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -18.890
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: 6
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -229.893087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.893087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.924004 (E_RNA)
where:
Base-Base interactions energy: -170.559
where: short stacking energy: -70.067
Base-Backbone interact. energy: -0.001
local terms energy: -59.363767
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -4.213
tors. eta vs tors. theta energy: -15.225
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: 1
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -216.124453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.124453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.161412 (E_RNA)
where:
Base-Base interactions energy: -149.870
where: short stacking energy: -63.926
Base-Backbone interact. energy: -0.000
local terms energy: -66.291447
where:
bonds (distance) C4'-P energy: -12.830
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -12.130
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -18.201
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: 5
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -207.661652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.661652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.795432 (E_RNA)
where:
Base-Base interactions energy: -145.423
where: short stacking energy: -56.019
Base-Backbone interact. energy: -0.046
local terms energy: -62.326605
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -5.258
tors. eta vs tors. theta energy: -16.061
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: 10
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -216.863361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.863361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.024555 (E_RNA)
where:
Base-Base interactions energy: -159.643
where: short stacking energy: -61.873
Base-Backbone interact. energy: -0.239
local terms energy: -57.142873
where:
bonds (distance) C4'-P energy: -9.599
bonds (distance) P-C4' energy: -11.199
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -6.615
tors. eta vs tors. theta energy: -14.798
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: 6, replica: 8
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -208.564900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.564900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.564900 (E_RNA)
where:
Base-Base interactions energy: -147.000
where: short stacking energy: -63.899
Base-Backbone interact. energy: -0.003
local terms energy: -61.561428
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -12.386
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -15.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -201.398796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.398796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.529000 (E_RNA)
where:
Base-Base interactions energy: -142.454
where: short stacking energy: -50.291
Base-Backbone interact. energy: -0.180
local terms energy: -58.894996
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -5.897
tors. eta vs tors. theta energy: -13.340
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: 2
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -199.580154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.580154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.716235 (E_RNA)
where:
Base-Base interactions energy: -137.330
where: short stacking energy: -58.979
Base-Backbone interact. energy: -0.021
local terms energy: -62.365821
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -14.222
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: 7
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -192.451787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.451787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.541547 (E_RNA)
where:
Base-Base interactions energy: -132.753
where: short stacking energy: -45.109
Base-Backbone interact. energy: -0.426
local terms energy: -59.361771
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -12.442
flat angles C4'-P-C4' energy: -11.470
flat angles P-C4'-P energy: -7.437
tors. eta vs tors. theta energy: -15.388
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: 3
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -192.595358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.595358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.627239 (E_RNA)
where:
Base-Base interactions energy: -137.305
where: short stacking energy: -56.968
Base-Backbone interact. energy: 1.973
local terms energy: -57.294962
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -3.704
tors. eta vs tors. theta energy: -15.292
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: 4
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -214.070633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.070633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.206728 (E_RNA)
where:
Base-Base interactions energy: -143.280
where: short stacking energy: -57.919
Base-Backbone interact. energy: -0.124
local terms energy: -70.802658
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -16.425
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: 2, replica: 6
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -226.125497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.125497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.125497 (E_RNA)
where:
Base-Base interactions energy: -166.063
where: short stacking energy: -66.859
Base-Backbone interact. energy: -0.247
local terms energy: -59.815374
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -2.839
tors. eta vs tors. theta energy: -17.670
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: 1
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -214.098411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.098411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.126564 (E_RNA)
where:
Base-Base interactions energy: -152.204
where: short stacking energy: -62.495
Base-Backbone interact. energy: -0.612
local terms energy: -61.310437
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -8.824
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -17.956
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: 481
Temperature: 1.050000
Total energy: -223.249967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.249967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.249967 (E_RNA)
where:
Base-Base interactions energy: -165.436
where: short stacking energy: -64.314
Base-Backbone interact. energy: -0.008
local terms energy: -57.805684
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -12.062
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -1.883
tors. eta vs tors. theta energy: -17.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -210.652469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.652469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.982453 (E_RNA)
where:
Base-Base interactions energy: -151.648
where: short stacking energy: -56.582
Base-Backbone interact. energy: -0.089
local terms energy: -59.245788
where:
bonds (distance) C4'-P energy: -11.175
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -3.288
tors. eta vs tors. theta energy: -15.735
Dist. restrs. and SS energy: 0.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -205.934065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.934065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.978524 (E_RNA)
where:
Base-Base interactions energy: -146.303
where: short stacking energy: -58.750
Base-Backbone interact. energy: -0.013
local terms energy: -59.662725
where:
bonds (distance) C4'-P energy: -9.954
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -10.649
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -16.007
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: 481
Temperature: 1.200000
Total energy: -205.376206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.376206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.472181 (E_RNA)
where:
Base-Base interactions energy: -150.487
where: short stacking energy: -51.298
Base-Backbone interact. energy: 0.135
local terms energy: -55.120084
where:
bonds (distance) C4'-P energy: -9.693
bonds (distance) P-C4' energy: -12.618
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -5.734
tors. eta vs tors. theta energy: -12.778
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: 7
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -197.306399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.306399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.392577 (E_RNA)
where:
Base-Base interactions energy: -142.121
where: short stacking energy: -55.571
Base-Backbone interact. energy: -0.019
local terms energy: -55.252801
where:
bonds (distance) C4'-P energy: -4.279
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -13.371
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -13.951
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: 9, replica: 2
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -199.928494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.928494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.964435 (E_RNA)
where:
Base-Base interactions energy: -150.395
where: short stacking energy: -53.993
Base-Backbone interact. energy: -0.081
local terms energy: -49.488004
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -5.821
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -5.683
tors. eta vs tors. theta energy: -14.024
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: 3
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -193.525191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.525191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.556315 (E_RNA)
where:
Base-Base interactions energy: -143.403
where: short stacking energy: -54.931
Base-Backbone interact. energy: -0.159
local terms energy: -49.994279
where:
bonds (distance) C4'-P energy: -8.165
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -10.583
flat angles P-C4'-P energy: -6.040
tors. eta vs tors. theta energy: -11.730
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: 1, replica: 6
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -236.871579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.871579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.871579 (E_RNA)
where:
Base-Base interactions energy: -175.591
where: short stacking energy: -71.762
Base-Backbone interact. energy: -0.010
local terms energy: -61.270813
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -12.494
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -6.586
tors. eta vs tors. theta energy: -16.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -221.557954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.557954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.617685 (E_RNA)
where:
Base-Base interactions energy: -158.838
where: short stacking energy: -61.270
Base-Backbone interact. energy: -0.156
local terms energy: -62.623714
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -8.789
tors. eta vs tors. theta energy: -15.918
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: 10
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -216.073724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.073724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.103234 (E_RNA)
where:
Base-Base interactions energy: -153.776
where: short stacking energy: -65.171
Base-Backbone interact. energy: -0.000
local terms energy: -62.327215
where:
bonds (distance) C4'-P energy: -8.484
bonds (distance) P-C4' energy: -11.940
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -16.934
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: 482
Temperature: 1.050000
Total energy: -214.322171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.322171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.339638 (E_RNA)
where:
Base-Base interactions energy: -154.343
where: short stacking energy: -57.301
Base-Backbone interact. energy: -0.006
local terms energy: -59.990648
where:
bonds (distance) C4'-P energy: -13.348
bonds (distance) P-C4' energy: -11.781
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -5.808
tors. eta vs tors. theta energy: -15.269
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: 9
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -216.491019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.491019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.501766 (E_RNA)
where:
Base-Base interactions energy: -157.691
where: short stacking energy: -65.021
Base-Backbone interact. energy: -2.246
local terms energy: -56.564565
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -8.214
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -12.599
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: 5
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -212.730470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.730470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.841019 (E_RNA)
where:
Base-Base interactions energy: -143.826
where: short stacking energy: -62.626
Base-Backbone interact. energy: -0.156
local terms energy: -68.858724
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -15.186
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: 7
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -202.001221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.001221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.041545 (E_RNA)
where:
Base-Base interactions energy: -146.636
where: short stacking energy: -53.831
Base-Backbone interact. energy: -0.471
local terms energy: -54.934818
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -11.542
flat angles P-C4'-P energy: -6.255
tors. eta vs tors. theta energy: -11.081
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: 482
Temperature: 1.250000
Total energy: -206.317259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.317259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.407718 (E_RNA)
where:
Base-Base interactions energy: -154.650
where: short stacking energy: -58.583
Base-Backbone interact. energy: -0.802
local terms energy: -50.955005
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -9.569
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -4.632
tors. eta vs tors. theta energy: -12.154
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: 3
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -195.271080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.271080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.392977 (E_RNA)
where:
Base-Base interactions energy: -142.947
where: short stacking energy: -64.559
Base-Backbone interact. energy: -0.100
local terms energy: -52.345830
where:
bonds (distance) C4'-P energy: -9.771
bonds (distance) P-C4' energy: -9.516
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -2.167
tors. eta vs tors. theta energy: -18.786
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: 10, replica: 2
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -196.255090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.255090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.453863 (E_RNA)
where:
Base-Base interactions energy: -138.048
where: short stacking energy: -57.328
Base-Backbone interact. energy: 1.152
local terms energy: -59.557779
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -11.905
flat angles P-C4'-P energy: -7.437
tors. eta vs tors. theta energy: -15.419
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: 6
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -231.786962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.786962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.786962 (E_RNA)
where:
Base-Base interactions energy: -170.248
where: short stacking energy: -67.339
Base-Backbone interact. energy: -0.185
local terms energy: -61.353696
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -12.818
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -5.116
tors. eta vs tors. theta energy: -15.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -220.536115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.536115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.677937 (E_RNA)
where:
Base-Base interactions energy: -158.828
where: short stacking energy: -64.114
Base-Backbone interact. energy: -0.039
local terms energy: -61.811197
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -14.595
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: 3, replica: 10
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -211.136302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.136302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.162146 (E_RNA)
where:
Base-Base interactions energy: -151.977
where: short stacking energy: -60.451
Base-Backbone interact. energy: -0.027
local terms energy: -59.158007
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -11.431
flat angles C4'-P-C4' energy: -13.999
flat angles P-C4'-P energy: -3.710
tors. eta vs tors. theta energy: -16.019
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: 483
Temperature: 1.050000
Total energy: -214.176522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.176522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.400847 (E_RNA)
where:
Base-Base interactions energy: -149.506
where: short stacking energy: -61.190
Base-Backbone interact. energy: -0.000
local terms energy: -64.894563
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -11.759
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -14.589
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: 1
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -203.741975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.741975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.842553 (E_RNA)
where:
Base-Base interactions energy: -144.681
where: short stacking energy: -62.075
Base-Backbone interact. energy: 0.340
local terms energy: -59.501894
where:
bonds (distance) C4'-P energy: -8.538
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -7.948
tors. eta vs tors. theta energy: -16.324
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: 6, replica: 7
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -209.920368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.920368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.089407 (E_RNA)
where:
Base-Base interactions energy: -150.661
where: short stacking energy: -62.630
Base-Backbone interact. energy: -0.000
local terms energy: -59.427502
where:
bonds (distance) C4'-P energy: -9.875
bonds (distance) P-C4' energy: -8.942
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -17.412
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: 5
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -206.049125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.049125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.063001 (E_RNA)
where:
Base-Base interactions energy: -136.566
where: short stacking energy: -54.197
Base-Backbone interact. energy: -0.001
local terms energy: -69.496108
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -14.146
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -14.648
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: 3
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -205.002491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.002491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.068295 (E_RNA)
where:
Base-Base interactions energy: -140.446
where: short stacking energy: -55.696
Base-Backbone interact. energy: -0.035
local terms energy: -64.587778
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -14.384
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: 8
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -193.344876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.344876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.465367 (E_RNA)
where:
Base-Base interactions energy: -140.836
where: short stacking energy: -59.595
Base-Backbone interact. energy: -0.307
local terms energy: -52.322026
where:
bonds (distance) C4'-P energy: -7.639
bonds (distance) P-C4' energy: -10.424
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -6.494
tors. eta vs tors. theta energy: -14.384
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: 2
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -191.881994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.881994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.893092 (E_RNA)
where:
Base-Base interactions energy: -137.158
where: short stacking energy: -56.489
Base-Backbone interact. energy: -0.047
local terms energy: -54.688033
where:
bonds (distance) C4'-P energy: -10.724
bonds (distance) P-C4' energy: -8.109
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -6.334
tors. eta vs tors. theta energy: -15.903
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: 1, replica: 6
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -238.267815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.267815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.304539 (E_RNA)
where:
Base-Base interactions energy: -172.607
where: short stacking energy: -71.302
Base-Backbone interact. energy: -0.587
local terms energy: -65.110619
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -5.788
tors. eta vs tors. theta energy: -17.781
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: 4
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -213.308949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.308949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.349138 (E_RNA)
where:
Base-Base interactions energy: -148.844
where: short stacking energy: -59.494
Base-Backbone interact. energy: 0.445
local terms energy: -64.949927
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -13.302
flat angles C4'-P-C4' energy: -12.047
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -14.592
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: 9
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -217.784994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.784994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.840940 (E_RNA)
where:
Base-Base interactions energy: -154.023
where: short stacking energy: -64.124
Base-Backbone interact. energy: -0.000
local terms energy: -63.817629
where:
bonds (distance) C4'-P energy: -10.894
bonds (distance) P-C4' energy: -13.124
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -14.059
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: 10
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -215.166856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.166856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.166856 (E_RNA)
where:
Base-Base interactions energy: -145.746
where: short stacking energy: -55.179
Base-Backbone interact. energy: -0.003
local terms energy: -69.417851
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -11.729
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: 7
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -204.208192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.208192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.208192 (E_RNA)
where:
Base-Base interactions energy: -141.958
where: short stacking energy: -54.116
Base-Backbone interact. energy: -0.127
local terms energy: -62.123051
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -12.141
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -15.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -217.043312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.043312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.339197 (E_RNA)
where:
Base-Base interactions energy: -156.653
where: short stacking energy: -62.439
Base-Backbone interact. energy: -0.296
local terms energy: -60.390281
where:
bonds (distance) C4'-P energy: -10.115
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -6.710
tors. eta vs tors. theta energy: -15.574
Dist. restrs. and SS energy: 0.296 (S_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: 484
Temperature: 1.200000
Total energy: -205.390990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.390990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.413337 (E_RNA)
where:
Base-Base interactions energy: -142.007
where: short stacking energy: -56.840
Base-Backbone interact. energy: -0.002
local terms energy: -63.404465
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -11.981
flat angles C4'-P-C4' energy: -11.426
flat angles P-C4'-P energy: -10.051
tors. eta vs tors. theta energy: -16.101
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: 3
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -214.653817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.653817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.749320 (E_RNA)
where:
Base-Base interactions energy: -157.077
where: short stacking energy: -62.513
Base-Backbone interact. energy: -0.417
local terms energy: -57.255942
where:
bonds (distance) C4'-P energy: -9.247
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -10.870
flat angles P-C4'-P energy: -4.318
tors. eta vs tors. theta energy: -17.810
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: 2
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -200.357798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.357798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.547329 (E_RNA)
where:
Base-Base interactions energy: -139.815
where: short stacking energy: -59.253
Base-Backbone interact. energy: 0.190
local terms energy: -60.921779
where:
bonds (distance) C4'-P energy: -8.658
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -11.948
flat angles P-C4'-P energy: -11.684
tors. eta vs tors. theta energy: -15.205
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: 10, replica: 8
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -189.994508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.994508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.994508 (E_RNA)
where:
Base-Base interactions energy: -137.051
where: short stacking energy: -48.789
Base-Backbone interact. energy: -0.109
local terms energy: -52.835455
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -11.266
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -5.760
tors. eta vs tors. theta energy: -10.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -236.075454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.075454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.075454 (E_RNA)
where:
Base-Base interactions energy: -172.660
where: short stacking energy: -68.876
Base-Backbone interact. energy: -0.052
local terms energy: -63.363570
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -12.996
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -7.276
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: 2, replica: 4
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -214.210613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.210613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.290917 (E_RNA)
where:
Base-Base interactions energy: -157.817
where: short stacking energy: -61.250
Base-Backbone interact. energy: -0.005
local terms energy: -56.469152
where:
bonds (distance) C4'-P energy: -9.904
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -12.792
flat angles P-C4'-P energy: -4.120
tors. eta vs tors. theta energy: -14.875
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: 9
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -211.578084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.578084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.590964 (E_RNA)
where:
Base-Base interactions energy: -149.784
where: short stacking energy: -60.127
Base-Backbone interact. energy: -0.238
local terms energy: -61.568582
where:
bonds (distance) C4'-P energy: -9.913
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -13.725
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: 7
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -213.175808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.175808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.245403 (E_RNA)
where:
Base-Base interactions energy: -156.865
where: short stacking energy: -58.852
Base-Backbone interact. energy: -0.000
local terms energy: -56.380332
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -9.858
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -4.941
tors. eta vs tors. theta energy: -14.564
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: 10
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -206.860689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.860689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.954742 (E_RNA)
where:
Base-Base interactions energy: -145.447
where: short stacking energy: -61.158
Base-Backbone interact. energy: -0.693
local terms energy: -60.814604
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -9.880
flat angles C4'-P-C4' energy: -12.208
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: -16.045
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: 5
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -207.330548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.330548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.385815 (E_RNA)
where:
Base-Base interactions energy: -143.541
where: short stacking energy: -58.791
Base-Backbone interact. energy: -0.201
local terms energy: -63.643870
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -10.380
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -17.850
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: 1
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -206.703116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.703116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.813569 (E_RNA)
where:
Base-Base interactions energy: -152.878
where: short stacking energy: -58.761
Base-Backbone interact. energy: -0.064
local terms energy: -53.871454
where:
bonds (distance) C4'-P energy: -9.168
bonds (distance) P-C4' energy: -10.923
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -6.107
tors. eta vs tors. theta energy: -13.868
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: 2
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -196.840301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.840301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.976079 (E_RNA)
where:
Base-Base interactions energy: -138.353
where: short stacking energy: -52.958
Base-Backbone interact. energy: -0.032
local terms energy: -58.591072
where:
bonds (distance) C4'-P energy: -12.495
bonds (distance) P-C4' energy: -14.416
flat angles C4'-P-C4' energy: -11.703
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -12.439
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: 3
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -201.045192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.045192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.159943 (E_RNA)
where:
Base-Base interactions energy: -143.303
where: short stacking energy: -62.062
Base-Backbone interact. energy: -0.018
local terms energy: -57.838643
where:
bonds (distance) C4'-P energy: -9.263
bonds (distance) P-C4' energy: -11.679
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -13.075
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: 10, replica: 8
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -198.003147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.003147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.128898 (E_RNA)
where:
Base-Base interactions energy: -140.389
where: short stacking energy: -55.454
Base-Backbone interact. energy: -0.116
local terms energy: -57.623713
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: -10.623
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: 1, replica: 4
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -220.834596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.834596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.905869 (E_RNA)
where:
Base-Base interactions energy: -152.870
where: short stacking energy: -61.120
Base-Backbone interact. energy: -0.003
local terms energy: -68.032729
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -15.071
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: 2, replica: 6
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -228.290504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.290504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.464709 (E_RNA)
where:
Base-Base interactions energy: -166.803
where: short stacking energy: -69.832
Base-Backbone interact. energy: -0.631
local terms energy: -61.030479
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -10.664
flat angles P-C4'-P energy: -5.885
tors. eta vs tors. theta energy: -16.135
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: 3, replica: 9
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -212.227935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.227935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.324855 (E_RNA)
where:
Base-Base interactions energy: -142.527
where: short stacking energy: -56.017
Base-Backbone interact. energy: -0.687
local terms energy: -69.111531
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -11.296
tors. eta vs tors. theta energy: -15.973
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: 7
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -216.340136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.340136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.399396 (E_RNA)
where:
Base-Base interactions energy: -156.419
where: short stacking energy: -63.393
Base-Backbone interact. energy: -0.008
local terms energy: -59.971932
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -12.437
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -5.937
tors. eta vs tors. theta energy: -16.390
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: 5
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -221.652883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.652883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.799070 (E_RNA)
where:
Base-Base interactions energy: -160.966
where: short stacking energy: -63.943
Base-Backbone interact. energy: -0.159
local terms energy: -60.674503
where:
bonds (distance) C4'-P energy: -11.170
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -11.661
flat angles P-C4'-P energy: -6.397
tors. eta vs tors. theta energy: -18.646
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: 10
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -200.687669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.687669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.693073 (E_RNA)
where:
Base-Base interactions energy: -141.889
where: short stacking energy: -58.679
Base-Backbone interact. energy: -0.365
local terms energy: -58.438894
where:
bonds (distance) C4'-P energy: -9.804
bonds (distance) P-C4' energy: -12.427
flat angles C4'-P-C4' energy: -8.756
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -16.203
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: 1
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -195.829351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.829351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.859363 (E_RNA)
where:
Base-Base interactions energy: -137.028
where: short stacking energy: -55.139
Base-Backbone interact. energy: -0.031
local terms energy: -58.800255
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -12.294
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -6.937
tors. eta vs tors. theta energy: -12.019
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: 2
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -208.120941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.120941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.200848 (E_RNA)
where:
Base-Base interactions energy: -153.797
where: short stacking energy: -58.123
Base-Backbone interact. energy: -0.010
local terms energy: -54.393246
where:
bonds (distance) C4'-P energy: -9.308
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -5.739
tors. eta vs tors. theta energy: -13.175
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: 8
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -192.897943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.897943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.025009 (E_RNA)
where:
Base-Base interactions energy: -134.017
where: short stacking energy: -48.344
Base-Backbone interact. energy: -0.806
local terms energy: -58.201121
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -0.757
tors. eta vs tors. theta energy: -15.233
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: 10, replica: 3
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -194.093000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.093000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.133383 (E_RNA)
where:
Base-Base interactions energy: -133.493
where: short stacking energy: -49.812
Base-Backbone interact. energy: -0.085
local terms energy: -60.555682
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -12.629
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -8.222
tors. eta vs tors. theta energy: -12.404
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: 1, replica: 4
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -218.491060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.491060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.568987 (E_RNA)
where:
Base-Base interactions energy: -153.442
where: short stacking energy: -62.390
Base-Backbone interact. energy: -0.124
local terms energy: -65.003823
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -10.386
flat angles P-C4'-P energy: -7.920
tors. eta vs tors. theta energy: -18.026
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: 487
Temperature: 0.950000
Total energy: -229.456499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.456499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.475869 (E_RNA)
where:
Base-Base interactions energy: -166.564
where: short stacking energy: -68.815
Base-Backbone interact. energy: -0.391
local terms energy: -62.520796
where:
bonds (distance) C4'-P energy: -13.248
bonds (distance) P-C4' energy: -11.273
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -6.555
tors. eta vs tors. theta energy: -18.558
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: 9
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -222.506424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.506424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.511974 (E_RNA)
where:
Base-Base interactions energy: -162.651
where: short stacking energy: -62.076
Base-Backbone interact. energy: -0.101
local terms energy: -59.760476
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -8.771
flat angles C4'-P-C4' energy: -15.174
flat angles P-C4'-P energy: -7.052
tors. eta vs tors. theta energy: -15.049
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: 5
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -211.493654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.493654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.537928 (E_RNA)
where:
Base-Base interactions energy: -145.815
where: short stacking energy: -57.520
Base-Backbone interact. energy: 0.169
local terms energy: -65.891930
where:
bonds (distance) C4'-P energy: -10.625
bonds (distance) P-C4' energy: -13.044
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -15.895
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: 7
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -202.722611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.722611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.732493 (E_RNA)
where:
Base-Base interactions energy: -141.001
where: short stacking energy: -51.472
Base-Backbone interact. energy: -0.026
local terms energy: -61.705267
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -10.867
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: -13.982
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: 1
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -207.232661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.232661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.256712 (E_RNA)
where:
Base-Base interactions energy: -156.396
where: short stacking energy: -58.741
Base-Backbone interact. energy: -0.169
local terms energy: -50.690985
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -9.792
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -2.397
tors. eta vs tors. theta energy: -13.954
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: 10
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -199.911371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.911371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.018883 (E_RNA)
where:
Base-Base interactions energy: -135.667
where: short stacking energy: -55.471
Base-Backbone interact. energy: -0.096
local terms energy: -64.255928
where:
bonds (distance) C4'-P energy: -10.021
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -16.144
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: 8
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -196.317377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.317377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.432459 (E_RNA)
where:
Base-Base interactions energy: -138.844
where: short stacking energy: -52.746
Base-Backbone interact. energy: -0.055
local terms energy: -57.533375
where:
bonds (distance) C4'-P energy: -10.578
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -11.387
flat angles P-C4'-P energy: -7.091
tors. eta vs tors. theta energy: -13.562
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: 9, replica: 2
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -198.249161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.249161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.522860 (E_RNA)
where:
Base-Base interactions energy: -138.422
where: short stacking energy: -59.488
Base-Backbone interact. energy: 0.771
local terms energy: -60.871314
where:
bonds (distance) C4'-P energy: -8.687
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: -12.694
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: 10, replica: 3
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -193.259050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.259050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.538262 (E_RNA)
where:
Base-Base interactions energy: -139.113
where: short stacking energy: -55.442
Base-Backbone interact. energy: -0.137
local terms energy: -54.288853
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -11.473
flat angles C4'-P-C4' energy: -10.616
flat angles P-C4'-P energy: -7.545
tors. eta vs tors. theta energy: -11.860
Dist. restrs. and SS energy: 0.279 (S_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: 488
Temperature: 0.900000
Total energy: -228.754810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.754810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.822388 (E_RNA)
where:
Base-Base interactions energy: -169.145
where: short stacking energy: -69.114
Base-Backbone interact. energy: -0.007
local terms energy: -59.670353
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -13.435
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -3.013
tors. eta vs tors. theta energy: -16.918
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: 4
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -221.898764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.898764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.972980 (E_RNA)
where:
Base-Base interactions energy: -158.810
where: short stacking energy: -63.977
Base-Backbone interact. energy: -0.043
local terms energy: -63.119364
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -11.975
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -14.661
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: 5
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -210.715394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.715394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.788380 (E_RNA)
where:
Base-Base interactions energy: -149.989
where: short stacking energy: -59.556
Base-Backbone interact. energy: -0.009
local terms energy: -60.789885
where:
bonds (distance) C4'-P energy: -10.721
bonds (distance) P-C4' energy: -12.611
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -6.236
tors. eta vs tors. theta energy: -17.191
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: 488
Temperature: 1.050000
Total energy: -223.414541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.414541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.440176 (E_RNA)
where:
Base-Base interactions energy: -160.303
where: short stacking energy: -65.365
Base-Backbone interact. energy: -0.051
local terms energy: -63.085670
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -4.671
tors. eta vs tors. theta energy: -17.241
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: 1
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -211.780670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.780670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.780670 (E_RNA)
where:
Base-Base interactions energy: -145.679
where: short stacking energy: -61.755
Base-Backbone interact. energy: 1.059
local terms energy: -67.159746
where:
bonds (distance) C4'-P energy: -10.869
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -13.317
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -18.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -198.214518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.214518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.283523 (E_RNA)
where:
Base-Base interactions energy: -133.795
where: short stacking energy: -53.006
Base-Backbone interact. energy: -0.002
local terms energy: -64.486503
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -11.461
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -15.541
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: 488
Temperature: 1.200000
Total energy: -199.556413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.556413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.584746 (E_RNA)
where:
Base-Base interactions energy: -140.608
where: short stacking energy: -53.074
Base-Backbone interact. energy: -0.019
local terms energy: -58.957600
where:
bonds (distance) C4'-P energy: -8.899
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -15.924
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: 10
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -203.064899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.064899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.170801 (E_RNA)
where:
Base-Base interactions energy: -136.933
where: short stacking energy: -51.707
Base-Backbone interact. energy: -0.429
local terms energy: -65.808359
where:
bonds (distance) C4'-P energy: -13.177
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -12.171
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -15.490
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: 488
Temperature: 1.300000
Total energy: -197.377359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.377359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.799321 (E_RNA)
where:
Base-Base interactions energy: -144.202
where: short stacking energy: -58.975
Base-Backbone interact. energy: -0.061
local terms energy: -53.536311
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -7.906
flat angles P-C4'-P energy: -2.069
tors. eta vs tors. theta energy: -16.703
Dist. restrs. and SS energy: 0.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -194.105188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.105188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.118249 (E_RNA)
where:
Base-Base interactions energy: -132.783
where: short stacking energy: -52.113
Base-Backbone interact. energy: 0.872
local terms energy: -62.206857
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -11.901
flat angles C4'-P-C4' energy: -9.694
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -17.451
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: 1, replica: 6
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -232.634955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.634955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.634955 (E_RNA)
where:
Base-Base interactions energy: -169.555
where: short stacking energy: -66.895
Base-Backbone interact. energy: -0.468
local terms energy: -62.611571
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -14.643
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -4.979
tors. eta vs tors. theta energy: -18.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -216.042029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.042029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.236862 (E_RNA)
where:
Base-Base interactions energy: -153.111
where: short stacking energy: -60.283
Base-Backbone interact. energy: -0.352
local terms energy: -62.773904
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -13.413
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: -15.070
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: 4
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -212.353599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.353599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.519559 (E_RNA)
where:
Base-Base interactions energy: -145.138
where: short stacking energy: -60.773
Base-Backbone interact. energy: -0.008
local terms energy: -67.373058
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -12.446
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -8.803
tors. eta vs tors. theta energy: -16.806
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: 4, replica: 9
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -206.891322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.891322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.961508 (E_RNA)
where:
Base-Base interactions energy: -141.664
where: short stacking energy: -55.539
Base-Backbone interact. energy: -0.092
local terms energy: -65.205193
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -14.968
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -6.146
tors. eta vs tors. theta energy: -17.972
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: 489
Temperature: 1.100000
Total energy: -208.377558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.377558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.410464 (E_RNA)
where:
Base-Base interactions energy: -155.675
where: short stacking energy: -57.797
Base-Backbone interact. energy: -0.033
local terms energy: -52.702685
where:
bonds (distance) C4'-P energy: -10.703
bonds (distance) P-C4' energy: -10.377
flat angles C4'-P-C4' energy: -12.319
flat angles P-C4'-P energy: -6.679
tors. eta vs tors. theta energy: -12.624
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: 489
Temperature: 1.150000
Total energy: -197.956654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.956654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.000285 (E_RNA)
where:
Base-Base interactions energy: -140.886
where: short stacking energy: -57.021
Base-Backbone interact. energy: -0.250
local terms energy: -56.864416
where:
bonds (distance) C4'-P energy: -9.023
bonds (distance) P-C4' energy: -11.157
flat angles C4'-P-C4' energy: -12.474
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -15.639
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: 489
Temperature: 1.200000
Total energy: -199.376823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.376823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.630521 (E_RNA)
where:
Base-Base interactions energy: -138.193
where: short stacking energy: -55.521
Base-Backbone interact. energy: -0.244
local terms energy: -61.193638
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -11.933
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: 8, replica: 10
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -198.730260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.730260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.952025 (E_RNA)
where:
Base-Base interactions energy: -135.106
where: short stacking energy: -57.938
Base-Backbone interact. energy: -0.002
local terms energy: -63.844111
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: -15.791
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: 9, replica: 3
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -190.838954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.838954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.945767 (E_RNA)
where:
Base-Base interactions energy: -138.638
where: short stacking energy: -55.717
Base-Backbone interact. energy: -0.004
local terms energy: -52.303932
where:
bonds (distance) C4'-P energy: -7.799
bonds (distance) P-C4' energy: -11.137
flat angles C4'-P-C4' energy: -11.695
flat angles P-C4'-P energy: -6.873
tors. eta vs tors. theta energy: -14.800
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: 2
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -193.870958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.870958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.969637 (E_RNA)
where:
Base-Base interactions energy: -136.158
where: short stacking energy: -56.020
Base-Backbone interact. energy: -0.022
local terms energy: -57.789022
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -11.334
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -11.478
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: 5
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -216.289621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.289621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.353594 (E_RNA)
where:
Base-Base interactions energy: -147.791
where: short stacking energy: -56.692
Base-Backbone interact. energy: -0.097
local terms energy: -68.465108
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -10.990
tors. eta vs tors. theta energy: -16.099
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: 6
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -225.169153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.169153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.214760 (E_RNA)
where:
Base-Base interactions energy: -164.713
where: short stacking energy: -60.112
Base-Backbone interact. energy: -0.033
local terms energy: -60.468953
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -6.328
tors. eta vs tors. theta energy: -14.430
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: 4
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -232.816706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.816706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.840643 (E_RNA)
where:
Base-Base interactions energy: -169.298
where: short stacking energy: -64.227
Base-Backbone interact. energy: -0.095
local terms energy: -63.448085
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -2.715
tors. eta vs tors. theta energy: -19.032
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: 9
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -205.764608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.764608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.773934 (E_RNA)
where:
Base-Base interactions energy: -141.213
where: short stacking energy: -58.545
Base-Backbone interact. energy: -0.056
local terms energy: -64.504902
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -12.601
flat angles C4'-P-C4' energy: -12.407
flat angles P-C4'-P energy: -11.709
tors. eta vs tors. theta energy: -12.733
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: 490
Temperature: 1.100000
Total energy: -210.311301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.311301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.453504 (E_RNA)
where:
Base-Base interactions energy: -145.832
where: short stacking energy: -59.202
Base-Backbone interact. energy: -0.009
local terms energy: -64.612626
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -10.659
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: -17.111
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: 1
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -210.281316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.281316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.399453 (E_RNA)
where:
Base-Base interactions energy: -156.073
where: short stacking energy: -59.913
Base-Backbone interact. energy: -0.443
local terms energy: -53.883761
where:
bonds (distance) C4'-P energy: -10.785
bonds (distance) P-C4' energy: -8.171
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -6.208
tors. eta vs tors. theta energy: -14.555
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: 8
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -206.696216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.696216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.802664 (E_RNA)
where:
Base-Base interactions energy: -143.814
where: short stacking energy: -59.733
Base-Backbone interact. energy: 0.847
local terms energy: -63.835330
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -16.266
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: 8, replica: 10
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -198.962963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.962963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.037010 (E_RNA)
where:
Base-Base interactions energy: -144.014
where: short stacking energy: -62.032
Base-Backbone interact. energy: -0.279
local terms energy: -54.743610
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -8.868
flat angles C4'-P-C4' energy: -8.730
flat angles P-C4'-P energy: -9.945
tors. eta vs tors. theta energy: -15.744
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: 2
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -198.616638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.616638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.739222 (E_RNA)
where:
Base-Base interactions energy: -141.458
where: short stacking energy: -53.534
Base-Backbone interact. energy: -1.156
local terms energy: -56.124728
where:
bonds (distance) C4'-P energy: -9.512
bonds (distance) P-C4' energy: -10.104
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: -12.607
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: 3
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -192.747254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.747254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.486448 (E_RNA)
where:
Base-Base interactions energy: -132.907
where: short stacking energy: -58.693
Base-Backbone interact. energy: -1.009
local terms energy: -59.569739
where:
bonds (distance) C4'-P energy: -10.505
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -16.999
Dist. restrs. and SS energy: 0.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -217.537280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.537280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.627697 (E_RNA)
where:
Base-Base interactions energy: -151.761
where: short stacking energy: -66.792
Base-Backbone interact. energy: -0.008
local terms energy: -65.858540
where:
bonds (distance) C4'-P energy: -9.622
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -19.009
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: 2, replica: 4
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -225.378961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.378961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.434974 (E_RNA)
where:
Base-Base interactions energy: -164.552
where: short stacking energy: -65.662
Base-Backbone interact. energy: -0.024
local terms energy: -60.859599
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -3.913
tors. eta vs tors. theta energy: -16.981
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: 6
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -219.002457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.002457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.043964 (E_RNA)
where:
Base-Base interactions energy: -150.635
where: short stacking energy: -63.561
Base-Backbone interact. energy: -0.001
local terms energy: -68.407901
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -12.107
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -18.615
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: 491
Temperature: 1.050000
Total energy: -233.391937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.391937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.401274 (E_RNA)
where:
Base-Base interactions energy: -174.812
where: short stacking energy: -72.513
Base-Backbone interact. energy: -0.313
local terms energy: -58.276778
where:
bonds (distance) C4'-P energy: -9.388
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -5.247
tors. eta vs tors. theta energy: -16.324
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: 9
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -207.180515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.180515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.482338 (E_RNA)
where:
Base-Base interactions energy: -145.652
where: short stacking energy: -59.389
Base-Backbone interact. energy: -0.070
local terms energy: -61.759727
where:
bonds (distance) C4'-P energy: -14.449
bonds (distance) P-C4' energy: -8.144
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -15.308
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: 6, replica: 8
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -207.790836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.790836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.813798 (E_RNA)
where:
Base-Base interactions energy: -148.323
where: short stacking energy: -60.834
Base-Backbone interact. energy: -0.003
local terms energy: -59.488161
where:
bonds (distance) C4'-P energy: -8.807
bonds (distance) P-C4' energy: -12.517
flat angles C4'-P-C4' energy: -11.894
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: -17.389
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: 1
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -205.718484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.718484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.822884 (E_RNA)
where:
Base-Base interactions energy: -146.318
where: short stacking energy: -59.632
Base-Backbone interact. energy: -0.096
local terms energy: -59.408706
where:
bonds (distance) C4'-P energy: -10.951
bonds (distance) P-C4' energy: -11.766
flat angles C4'-P-C4' energy: -12.391
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -13.633
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: 2
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -209.300704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.300704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.533998 (E_RNA)
where:
Base-Base interactions energy: -155.573
where: short stacking energy: -64.342
Base-Backbone interact. energy: -0.000
local terms energy: -53.960546
where:
bonds (distance) C4'-P energy: -8.543
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -12.491
flat angles P-C4'-P energy: -6.148
tors. eta vs tors. theta energy: -14.229
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: 9, replica: 10
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -197.324983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.324983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.341328 (E_RNA)
where:
Base-Base interactions energy: -135.991
where: short stacking energy: -51.861
Base-Backbone interact. energy: -0.387
local terms energy: -60.963380
where:
bonds (distance) C4'-P energy: -10.605
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -5.800
tors. eta vs tors. theta energy: -15.669
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: 3
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -207.657733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.657733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.657733 (E_RNA)
where:
Base-Base interactions energy: -148.871
where: short stacking energy: -55.993
Base-Backbone interact. energy: -0.101
local terms energy: -58.685961
where:
bonds (distance) C4'-P energy: -10.322
bonds (distance) P-C4' energy: -9.986
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: -13.220
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -229.304022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.304022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.386628 (E_RNA)
where:
Base-Base interactions energy: -168.038
where: short stacking energy: -68.143
Base-Backbone interact. energy: -0.004
local terms energy: -61.345087
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -11.938
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -4.947
tors. eta vs tors. theta energy: -17.864
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: 5
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -216.658263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.658263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.668721 (E_RNA)
where:
Base-Base interactions energy: -149.627
where: short stacking energy: -61.269
Base-Backbone interact. energy: -0.058
local terms energy: -66.983860
where:
bonds (distance) C4'-P energy: -9.809
bonds (distance) P-C4' energy: -16.715
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -15.465
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: 7
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -230.652887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.652887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.652887 (E_RNA)
where:
Base-Base interactions energy: -164.739
where: short stacking energy: -64.879
Base-Backbone interact. energy: 0.060
local terms energy: -65.974506
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -6.139
tors. eta vs tors. theta energy: -17.639
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: 6
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -215.976802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.976802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.980120 (E_RNA)
where:
Base-Base interactions energy: -148.883
where: short stacking energy: -61.795
Base-Backbone interact. energy: 0.112
local terms energy: -67.209441
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -14.232
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: 9
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -205.302185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.302185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.397541 (E_RNA)
where:
Base-Base interactions energy: -150.101
where: short stacking energy: -64.943
Base-Backbone interact. energy: -0.001
local terms energy: -55.295953
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -10.939
flat angles C4'-P-C4' energy: -11.470
flat angles P-C4'-P energy: -6.347
tors. eta vs tors. theta energy: -15.120
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: 492
Temperature: 1.150000
Total energy: -205.528701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.528701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.550999 (E_RNA)
where:
Base-Base interactions energy: -144.801
where: short stacking energy: -58.242
Base-Backbone interact. energy: 0.475
local terms energy: -61.225208
where:
bonds (distance) C4'-P energy: -11.331
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -6.561
tors. eta vs tors. theta energy: -14.668
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: 7, replica: 2
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -205.730549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.730549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.799733 (E_RNA)
where:
Base-Base interactions energy: -146.391
where: short stacking energy: -63.512
Base-Backbone interact. energy: -0.007
local terms energy: -59.401667
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -8.982
flat angles C4'-P-C4' energy: -13.409
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -15.784
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: 1
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -196.271149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.271149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.278656 (E_RNA)
where:
Base-Base interactions energy: -145.347
where: short stacking energy: -56.076
Base-Backbone interact. energy: -0.096
local terms energy: -50.835388
where:
bonds (distance) C4'-P energy: -8.339
bonds (distance) P-C4' energy: -5.796
flat angles C4'-P-C4' energy: -12.178
flat angles P-C4'-P energy: -7.403
tors. eta vs tors. theta energy: -17.120
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: 9, replica: 3
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -186.539908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.539908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.539908 (E_RNA)
where:
Base-Base interactions energy: -133.537
where: short stacking energy: -48.857
Base-Backbone interact. energy: -0.084
local terms energy: -52.919078
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -10.647
flat angles C4'-P-C4' energy: -10.306
flat angles P-C4'-P energy: -5.891
tors. eta vs tors. theta energy: -13.104
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -194.494782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.494782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.611770 (E_RNA)
where:
Base-Base interactions energy: -131.086
where: short stacking energy: -48.182
Base-Backbone interact. energy: 0.654
local terms energy: -64.179515
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -13.152
flat angles C4'-P-C4' energy: -12.071
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: -15.879
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: 1, replica: 4
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -223.749683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.749683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.774031 (E_RNA)
where:
Base-Base interactions energy: -161.600
where: short stacking energy: -64.806
Base-Backbone interact. energy: -0.013
local terms energy: -62.160449
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -11.926
flat angles P-C4'-P energy: -5.390
tors. eta vs tors. theta energy: -17.632
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: 493
Temperature: 0.950000
Total energy: -231.025535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.025535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.420160 (E_RNA)
where:
Base-Base interactions energy: -163.836
where: short stacking energy: -65.606
Base-Backbone interact. energy: -0.847
local terms energy: -66.737202
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -14.182
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -6.998
tors. eta vs tors. theta energy: -20.011
Dist. restrs. and SS energy: 0.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -216.270750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.270750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.270750 (E_RNA)
where:
Base-Base interactions energy: -153.860
where: short stacking energy: -64.305
Base-Backbone interact. energy: -0.001
local terms energy: -62.409998
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -8.061
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -19.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -215.146438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.146438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.233966 (E_RNA)
where:
Base-Base interactions energy: -153.037
where: short stacking energy: -61.691
Base-Backbone interact. energy: -0.013
local terms energy: -62.184456
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -11.238
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -7.035
tors. eta vs tors. theta energy: -18.471
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: 493
Temperature: 1.100000
Total energy: -209.783816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.783816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.821913 (E_RNA)
where:
Base-Base interactions energy: -152.131
where: short stacking energy: -64.972
Base-Backbone interact. energy: 1.263
local terms energy: -58.954232
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -10.802
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -14.759
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: 6, replica: 2
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -206.704799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.704799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.875043 (E_RNA)
where:
Base-Base interactions energy: -148.160
where: short stacking energy: -60.835
Base-Backbone interact. energy: -0.003
local terms energy: -58.712690
where:
bonds (distance) C4'-P energy: -8.277
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -13.916
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: 7, replica: 8
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -202.324289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.324289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.345170 (E_RNA)
where:
Base-Base interactions energy: -142.636
where: short stacking energy: -59.547
Base-Backbone interact. energy: -0.020
local terms energy: -59.689106
where:
bonds (distance) C4'-P energy: -10.678
bonds (distance) P-C4' energy: -11.660
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -7.214
tors. eta vs tors. theta energy: -17.494
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: 3
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -199.478061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.478061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.568972 (E_RNA)
where:
Base-Base interactions energy: -144.153
where: short stacking energy: -58.983
Base-Backbone interact. energy: -0.239
local terms energy: -55.176745
where:
bonds (distance) C4'-P energy: -9.880
bonds (distance) P-C4' energy: -10.431
flat angles C4'-P-C4' energy: -9.040
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -16.823
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: 9, replica: 1
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -191.644346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.644346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.679380 (E_RNA)
where:
Base-Base interactions energy: -131.714
where: short stacking energy: -49.678
Base-Backbone interact. energy: -0.099
local terms energy: -59.866080
where:
bonds (distance) C4'-P energy: -10.380
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: -12.113
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: 10
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -194.438518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.438518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.438518 (E_RNA)
where:
Base-Base interactions energy: -138.840
where: short stacking energy: -56.621
Base-Backbone interact. energy: -0.242
local terms energy: -55.356569
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -11.088
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -5.398
tors. eta vs tors. theta energy: -13.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -231.294383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.294383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.318763 (E_RNA)
where:
Base-Base interactions energy: -168.320
where: short stacking energy: -70.406
Base-Backbone interact. energy: -0.002
local terms energy: -62.997700
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -5.592
tors. eta vs tors. theta energy: -18.008
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: 4
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -216.979895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.979895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.326089 (E_RNA)
where:
Base-Base interactions energy: -153.859
where: short stacking energy: -66.522
Base-Backbone interact. energy: -0.007
local terms energy: -63.459866
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -14.122
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -13.859
Dist. restrs. and SS energy: 0.346 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -214.638599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.638599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.899852 (E_RNA)
where:
Base-Base interactions energy: -146.548
where: short stacking energy: -59.102
Base-Backbone interact. energy: -0.166
local terms energy: -68.186121
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -16.315
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: 4, replica: 6
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -220.500409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.500409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.500409 (E_RNA)
where:
Base-Base interactions energy: -163.117
where: short stacking energy: -60.380
Base-Backbone interact. energy: -0.002
local terms energy: -57.381358
where:
bonds (distance) C4'-P energy: -10.152
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -12.441
flat angles P-C4'-P energy: -2.976
tors. eta vs tors. theta energy: -18.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -204.939933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.939933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.020885 (E_RNA)
where:
Base-Base interactions energy: -142.582
where: short stacking energy: -56.734
Base-Backbone interact. energy: -0.001
local terms energy: -62.437687
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -10.476
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -17.042
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: 2
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -211.221375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.221375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.343277 (E_RNA)
where:
Base-Base interactions energy: -144.172
where: short stacking energy: -59.239
Base-Backbone interact. energy: -0.003
local terms energy: -67.168038
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -13.568
flat angles C4'-P-C4' energy: -11.292
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -17.296
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: 494
Temperature: 1.200000
Total energy: -199.238411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.238411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.322244 (E_RNA)
where:
Base-Base interactions energy: -137.209
where: short stacking energy: -56.709
Base-Backbone interact. energy: -0.001
local terms energy: -62.112302
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -12.299
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -7.198
tors. eta vs tors. theta energy: -14.493
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: 8
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -196.860288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.860288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.893056 (E_RNA)
where:
Base-Base interactions energy: -135.096
where: short stacking energy: -55.092
Base-Backbone interact. energy: -0.054
local terms energy: -61.742895
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -10.420
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -16.646
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: 10
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -193.946222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.946222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.039201 (E_RNA)
where:
Base-Base interactions energy: -130.717
where: short stacking energy: -50.214
Base-Backbone interact. energy: -0.004
local terms energy: -63.317709
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -12.470
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -14.928
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: 1
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -184.741060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.741060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.741526 (E_RNA)
where:
Base-Base interactions energy: -136.776
where: short stacking energy: -50.314
Base-Backbone interact. energy: -0.069
local terms energy: -47.896874
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -10.665
flat angles P-C4'-P energy: -0.665
tors. eta vs tors. theta energy: -12.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -227.011074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.011074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.113688 (E_RNA)
where:
Base-Base interactions energy: -166.517
where: short stacking energy: -61.173
Base-Backbone interact. energy: -0.116
local terms energy: -60.480989
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -12.464
flat angles C4'-P-C4' energy: -10.980
flat angles P-C4'-P energy: -6.330
tors. eta vs tors. theta energy: -18.803
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: 4
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -216.081969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.081969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.081969 (E_RNA)
where:
Base-Base interactions energy: -149.762
where: short stacking energy: -59.624
Base-Backbone interact. energy: -0.446
local terms energy: -65.874328
where:
bonds (distance) C4'-P energy: -9.184
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -17.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -213.736557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.736557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.788970 (E_RNA)
where:
Base-Base interactions energy: -148.365
where: short stacking energy: -62.565
Base-Backbone interact. energy: -0.080
local terms energy: -65.343197
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -7.210
tors. eta vs tors. theta energy: -16.631
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: 6
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -211.811670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.811670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.826398 (E_RNA)
where:
Base-Base interactions energy: -155.073
where: short stacking energy: -61.545
Base-Backbone interact. energy: 0.254
local terms energy: -57.006805
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -13.040
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: 495
Temperature: 1.100000
Total energy: -212.854949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.854949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.900659 (E_RNA)
where:
Base-Base interactions energy: -152.148
where: short stacking energy: -58.550
Base-Backbone interact. energy: -0.043
local terms energy: -60.709330
where:
bonds (distance) C4'-P energy: -10.736
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -6.301
tors. eta vs tors. theta energy: -15.311
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: 3
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -208.552460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.552460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.577437 (E_RNA)
where:
Base-Base interactions energy: -151.174
where: short stacking energy: -55.889
Base-Backbone interact. energy: -0.002
local terms energy: -57.400943
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -11.306
flat angles C4'-P-C4' energy: -12.894
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -12.131
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: 2
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -193.108562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.108562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.155181 (E_RNA)
where:
Base-Base interactions energy: -137.753
where: short stacking energy: -54.085
Base-Backbone interact. energy: -0.329
local terms energy: -55.072895
where:
bonds (distance) C4'-P energy: -5.797
bonds (distance) P-C4' energy: -12.882
flat angles C4'-P-C4' energy: -11.044
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -14.416
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: 10
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -200.672186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.672186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.852296 (E_RNA)
where:
Base-Base interactions energy: -143.893
where: short stacking energy: -56.886
Base-Backbone interact. energy: -0.101
local terms energy: -56.858529
where:
bonds (distance) C4'-P energy: -7.967
bonds (distance) P-C4' energy: -10.586
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -15.148
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: 9, replica: 8
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -194.077540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.077540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.158906 (E_RNA)
where:
Base-Base interactions energy: -144.081
where: short stacking energy: -54.606
Base-Backbone interact. energy: -0.011
local terms energy: -50.067204
where:
bonds (distance) C4'-P energy: -8.411
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -11.780
flat angles P-C4'-P energy: -10.004
tors. eta vs tors. theta energy: -7.248
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: 1
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -188.337331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.337331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.489780 (E_RNA)
where:
Base-Base interactions energy: -130.420
where: short stacking energy: -50.648
Base-Backbone interact. energy: -0.406
local terms energy: -57.663128
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -11.069
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -10.846
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: 1, replica: 4
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -221.222345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.222345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.285547 (E_RNA)
where:
Base-Base interactions energy: -156.440
where: short stacking energy: -68.028
Base-Backbone interact. energy: -0.017
local terms energy: -64.828690
where:
bonds (distance) C4'-P energy: -12.065
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -11.453
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -17.753
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: 7
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -231.501692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.501692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.525015 (E_RNA)
where:
Base-Base interactions energy: -169.347
where: short stacking energy: -69.268
Base-Backbone interact. energy: -0.036
local terms energy: -62.142153
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -4.602
tors. eta vs tors. theta energy: -16.217
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: 6
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -212.075373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.075373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.085225 (E_RNA)
where:
Base-Base interactions energy: -145.244
where: short stacking energy: -61.371
Base-Backbone interact. energy: -0.915
local terms energy: -65.926513
where:
bonds (distance) C4'-P energy: -9.958
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -17.018
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: 5
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -215.682375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.682375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.730062 (E_RNA)
where:
Base-Base interactions energy: -148.150
where: short stacking energy: -63.698
Base-Backbone interact. energy: -0.120
local terms energy: -67.460011
where:
bonds (distance) C4'-P energy: -8.761
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -10.896
tors. eta vs tors. theta energy: -16.894
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: 3
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -207.106989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.106989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.129973 (E_RNA)
where:
Base-Base interactions energy: -151.190
where: short stacking energy: -59.739
Base-Backbone interact. energy: -0.873
local terms energy: -55.067891
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -8.219
flat angles P-C4'-P energy: -7.206
tors. eta vs tors. theta energy: -13.706
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: 9
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -208.634030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.634030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.918966 (E_RNA)
where:
Base-Base interactions energy: -148.727
where: short stacking energy: -63.150
Base-Backbone interact. energy: 0.010
local terms energy: -60.202455
where:
bonds (distance) C4'-P energy: -7.718
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -13.018
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: 10
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -202.595946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.595946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.689977 (E_RNA)
where:
Base-Base interactions energy: -140.033
where: short stacking energy: -55.571
Base-Backbone interact. energy: -0.073
local terms energy: -62.583560
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -10.403
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: 496
Temperature: 1.250000
Total energy: -200.428982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.428982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.578653 (E_RNA)
where:
Base-Base interactions energy: -148.541
where: short stacking energy: -57.997
Base-Backbone interact. energy: -0.544
local terms energy: -51.493694
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -10.960
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -3.295
tors. eta vs tors. theta energy: -12.595
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: 1
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -187.732345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.732345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.746991 (E_RNA)
where:
Base-Base interactions energy: -139.146
where: short stacking energy: -53.975
Base-Backbone interact. energy: -0.006
local terms energy: -48.595322
where:
bonds (distance) C4'-P energy: -5.928
bonds (distance) P-C4' energy: -9.939
flat angles C4'-P-C4' energy: -8.583
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: -15.866
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: 10, replica: 8
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -196.306225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.306225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.413945 (E_RNA)
where:
Base-Base interactions energy: -142.657
where: short stacking energy: -54.999
Base-Backbone interact. energy: -0.000
local terms energy: -53.756073
where:
bonds (distance) C4'-P energy: -9.039
bonds (distance) P-C4' energy: -11.317
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -5.531
tors. eta vs tors. theta energy: -13.629
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: 4
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -221.769236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.769236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.799452 (E_RNA)
where:
Base-Base interactions energy: -149.860
where: short stacking energy: -65.846
Base-Backbone interact. energy: -0.057
local terms energy: -71.882353
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -12.943
tors. eta vs tors. theta energy: -16.376
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: 497
Temperature: 0.950000
Total energy: -226.247476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.247476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.255617 (E_RNA)
where:
Base-Base interactions energy: -166.636
where: short stacking energy: -66.089
Base-Backbone interact. energy: -0.127
local terms energy: -59.492511
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -11.334
flat angles C4'-P-C4' energy: -14.379
flat angles P-C4'-P energy: -5.734
tors. eta vs tors. theta energy: -16.146
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: 3, replica: 6
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -209.332662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.332662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.332662 (E_RNA)
where:
Base-Base interactions energy: -153.181
where: short stacking energy: -61.679
Base-Backbone interact. energy: -0.003
local terms energy: -56.148609
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -11.871
flat angles C4'-P-C4' energy: -11.020
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -12.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -220.570690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.570690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.664320 (E_RNA)
where:
Base-Base interactions energy: -163.008
where: short stacking energy: -62.131
Base-Backbone interact. energy: -0.023
local terms energy: -57.633124
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -10.059
flat angles P-C4'-P energy: -3.788
tors. eta vs tors. theta energy: -17.028
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: 5
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -215.480416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.480416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.523257 (E_RNA)
where:
Base-Base interactions energy: -154.478
where: short stacking energy: -67.121
Base-Backbone interact. energy: -0.000
local terms energy: -61.044546
where:
bonds (distance) C4'-P energy: -9.818
bonds (distance) P-C4' energy: -10.048
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -7.173
tors. eta vs tors. theta energy: -18.761
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: 10
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -206.021731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.021731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.022147 (E_RNA)
where:
Base-Base interactions energy: -141.376
where: short stacking energy: -56.704
Base-Backbone interact. energy: -0.006
local terms energy: -64.640217
where:
bonds (distance) C4'-P energy: -9.401
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -16.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -202.943072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.943072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.957985 (E_RNA)
where:
Base-Base interactions energy: -142.747
where: short stacking energy: -59.109
Base-Backbone interact. energy: -0.019
local terms energy: -60.192252
where:
bonds (distance) C4'-P energy: -6.146
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -14.245
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: 1
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -197.441258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.441258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.574129 (E_RNA)
where:
Base-Base interactions energy: -138.390
where: short stacking energy: -52.503
Base-Backbone interact. energy: -0.679
local terms energy: -58.504387
where:
bonds (distance) C4'-P energy: -10.349
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -6.170
tors. eta vs tors. theta energy: -12.836
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: 2
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -197.751529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.751529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.071908 (E_RNA)
where:
Base-Base interactions energy: -139.790
where: short stacking energy: -57.427
Base-Backbone interact. energy: -0.281
local terms energy: -58.000558
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -11.754
flat angles C4'-P-C4' energy: -11.052
flat angles P-C4'-P energy: -7.772
tors. eta vs tors. theta energy: -14.862
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: 10, replica: 8
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -200.053021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.053021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.068818 (E_RNA)
where:
Base-Base interactions energy: -144.948
where: short stacking energy: -54.625
Base-Backbone interact. energy: 1.513
local terms energy: -56.633239
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -11.289
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -2.128
tors. eta vs tors. theta energy: -14.971
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: 1, replica: 4
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -222.417022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.417022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.417022 (E_RNA)
where:
Base-Base interactions energy: -150.753
where: short stacking energy: -63.414
Base-Backbone interact. energy: -0.044
local terms energy: -71.619701
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -18.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -219.711853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.711853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.866703 (E_RNA)
where:
Base-Base interactions energy: -149.448
where: short stacking energy: -66.024
Base-Backbone interact. energy: -0.002
local terms energy: -70.416426
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -17.754
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: 3
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -216.736792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.736792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.775197 (E_RNA)
where:
Base-Base interactions energy: -149.674
where: short stacking energy: -68.320
Base-Backbone interact. energy: -0.002
local terms energy: -67.098836
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -17.839
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: 498
Temperature: 1.050000
Total energy: -207.532167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.532167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.565143 (E_RNA)
where:
Base-Base interactions energy: -152.999
where: short stacking energy: -61.395
Base-Backbone interact. energy: -0.002
local terms energy: -54.564094
where:
bonds (distance) C4'-P energy: -9.198
bonds (distance) P-C4' energy: -12.853
flat angles C4'-P-C4' energy: -12.109
flat angles P-C4'-P energy: -6.841
tors. eta vs tors. theta energy: -13.564
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: 10
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -208.346556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.346556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.393234 (E_RNA)
where:
Base-Base interactions energy: -143.380
where: short stacking energy: -57.855
Base-Backbone interact. energy: -0.005
local terms energy: -65.008654
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -11.577
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -17.707
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: 5
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -203.089140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.089140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.089140 (E_RNA)
where:
Base-Base interactions energy: -143.124
where: short stacking energy: -59.591
Base-Backbone interact. energy: -0.816
local terms energy: -59.149150
where:
bonds (distance) C4'-P energy: -6.252
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: -15.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -208.146130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.146130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.187050 (E_RNA)
where:
Base-Base interactions energy: -146.418
where: short stacking energy: -60.248
Base-Backbone interact. energy: -0.004
local terms energy: -61.765467
where:
bonds (distance) C4'-P energy: -9.718
bonds (distance) P-C4' energy: -13.360
flat angles C4'-P-C4' energy: -11.398
flat angles P-C4'-P energy: -9.491
tors. eta vs tors. theta energy: -17.798
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: 9
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -203.406895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.406895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.526407 (E_RNA)
where:
Base-Base interactions energy: -137.110
where: short stacking energy: -51.434
Base-Backbone interact. energy: -0.097
local terms energy: -66.319411
where:
bonds (distance) C4'-P energy: -10.886
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -16.164
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: 8
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -190.502961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.502961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.570524 (E_RNA)
where:
Base-Base interactions energy: -138.428
where: short stacking energy: -53.975
Base-Backbone interact. energy: -0.057
local terms energy: -52.085673
where:
bonds (distance) C4'-P energy: -8.378
bonds (distance) P-C4' energy: -11.922
flat angles C4'-P-C4' energy: -9.755
flat angles P-C4'-P energy: -7.425
tors. eta vs tors. theta energy: -14.606
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: 2
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -196.038206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.038206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.184579 (E_RNA)
where:
Base-Base interactions energy: -137.090
where: short stacking energy: -57.157
Base-Backbone interact. energy: -0.055
local terms energy: -59.039366
where:
bonds (distance) C4'-P energy: -12.653
bonds (distance) P-C4' energy: -9.947
flat angles C4'-P-C4' energy: -10.677
flat angles P-C4'-P energy: -6.331
tors. eta vs tors. theta energy: -19.432
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: 1, replica: 4
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -219.008890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.008890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.008890 (E_RNA)
where:
Base-Base interactions energy: -149.032
where: short stacking energy: -62.006
Base-Backbone interact. energy: -0.102
local terms energy: -69.873954
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -17.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -217.454968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.454968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.692853 (E_RNA)
where:
Base-Base interactions energy: -150.278
where: short stacking energy: -64.070
Base-Backbone interact. energy: -0.300
local terms energy: -67.115167
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -16.522
Dist. restrs. and SS energy: 0.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -217.148193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.148193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.148193 (E_RNA)
where:
Base-Base interactions energy: -150.987
where: short stacking energy: -59.495
Base-Backbone interact. energy: -1.205
local terms energy: -64.956229
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -12.519
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -15.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -211.708565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.708565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.722067 (E_RNA)
where:
Base-Base interactions energy: -143.098
where: short stacking energy: -59.794
Base-Backbone interact. energy: -0.011
local terms energy: -68.613685
where:
bonds (distance) C4'-P energy: -14.491
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -17.351
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: 5, replica: 6
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -216.430876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.430876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.460617 (E_RNA)
where:
Base-Base interactions energy: -156.964
where: short stacking energy: -59.596
Base-Backbone interact. energy: -0.007
local terms energy: -59.489735
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -13.277
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -3.646
tors. eta vs tors. theta energy: -15.294
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: 499
Temperature: 1.150000
Total energy: -202.016150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.016150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.030529 (E_RNA)
where:
Base-Base interactions energy: -142.703
where: short stacking energy: -55.176
Base-Backbone interact. energy: -0.090
local terms energy: -59.237283
where:
bonds (distance) C4'-P energy: -11.001
bonds (distance) P-C4' energy: -9.171
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -15.927
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: 499
Temperature: 1.200000
Total energy: -199.232619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.232619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.250905 (E_RNA)
where:
Base-Base interactions energy: -136.704
where: short stacking energy: -54.183
Base-Backbone interact. energy: -0.034
local terms energy: -62.513295
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -13.446
flat angles C4'-P-C4' energy: -11.549
flat angles P-C4'-P energy: -6.813
tors. eta vs tors. theta energy: -16.839
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: 8
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -203.298874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.298874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.375055 (E_RNA)
where:
Base-Base interactions energy: -140.564
where: short stacking energy: -55.890
Base-Backbone interact. energy: -0.004
local terms energy: -62.806751
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -12.270
flat angles C4'-P-C4' energy: -10.355
flat angles P-C4'-P energy: -12.533
tors. eta vs tors. theta energy: -16.108
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: 9
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -200.142431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.142431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.207897 (E_RNA)
where:
Base-Base interactions energy: -146.347
where: short stacking energy: -56.693
Base-Backbone interact. energy: -0.027
local terms energy: -53.833085
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -12.143
flat angles C4'-P-C4' energy: -11.833
flat angles P-C4'-P energy: -4.351
tors. eta vs tors. theta energy: -14.741
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: 10, replica: 2
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -194.387619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.387619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.590808 (E_RNA)
where:
Base-Base interactions energy: -140.456
where: short stacking energy: -57.705
Base-Backbone interact. energy: -0.050
local terms energy: -54.085423
where:
bonds (distance) C4'-P energy: -7.710
bonds (distance) P-C4' energy: -11.886
flat angles C4'-P-C4' energy: -11.659
flat angles P-C4'-P energy: -6.430
tors. eta vs tors. theta energy: -16.401
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: 1, replica: 3
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -217.292104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.292104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.334541 (E_RNA)
where:
Base-Base interactions energy: -149.073
where: short stacking energy: -62.462
Base-Backbone interact. energy: -0.112
local terms energy: -68.149123
where:
bonds (distance) C4'-P energy: -11.452
bonds (distance) P-C4' energy: -14.160
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -16.930
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: 4
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -232.419088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.419088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.457047 (E_RNA)
where:
Base-Base interactions energy: -170.628
where: short stacking energy: -68.867
Base-Backbone interact. energy: -0.166
local terms energy: -61.663533
where:
bonds (distance) C4'-P energy: -12.735
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -11.421
flat angles P-C4'-P energy: -4.936
tors. eta vs tors. theta energy: -17.243
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: 500
Temperature: 1.000000
Total energy: -225.480460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.480460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.480460 (E_RNA)
where:
Base-Base interactions energy: -162.174
where: short stacking energy: -66.214
Base-Backbone interact. energy: -0.001
local terms energy: -63.306170
where:
bonds (distance) C4'-P energy: -11.552
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -11.705
flat angles P-C4'-P energy: -8.566
tors. eta vs tors. theta energy: -16.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -211.577055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.577055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.639412 (E_RNA)
where:
Base-Base interactions energy: -150.554
where: short stacking energy: -69.322
Base-Backbone interact. energy: -0.006
local terms energy: -61.079273
where:
bonds (distance) C4'-P energy: -10.355
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -7.687
tors. eta vs tors. theta energy: -17.777
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: 6
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -219.829064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.829064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.855127 (E_RNA)
where:
Base-Base interactions energy: -164.224
where: short stacking energy: -60.849
Base-Backbone interact. energy: -0.005
local terms energy: -55.626493
where:
bonds (distance) C4'-P energy: -9.043
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -11.610
flat angles P-C4'-P energy: -3.595
tors. eta vs tors. theta energy: -16.549
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: 500
Temperature: 1.150000
Total energy: -202.952385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.952385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.966116 (E_RNA)
where:
Base-Base interactions energy: -152.618
where: short stacking energy: -59.781
Base-Backbone interact. energy: -0.116
local terms energy: -50.232411
where:
bonds (distance) C4'-P energy: -9.205
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: 0.531
tors. eta vs tors. theta energy: -12.795
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: 500
Temperature: 1.200000
Total energy: -202.448144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.448144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.584374 (E_RNA)
where:
Base-Base interactions energy: -138.264
where: short stacking energy: -56.137
Base-Backbone interact. energy: -0.009
local terms energy: -64.311474
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -12.457
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -16.690
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: 8, replica: 8
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -197.501267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.501267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.552624 (E_RNA)
where:
Base-Base interactions energy: -143.275
where: short stacking energy: -53.706
Base-Backbone interact. energy: -0.003
local terms energy: -54.274148
where:
bonds (distance) C4'-P energy: -12.901
bonds (distance) P-C4' energy: -10.451
flat angles C4'-P-C4' energy: -10.971
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -10.909
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: 9
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -201.355219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.355219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.456589 (E_RNA)
where:
Base-Base interactions energy: -139.788
where: short stacking energy: -54.486
Base-Backbone interact. energy: -0.100
local terms energy: -61.568880
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -13.912
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: 10, replica: 2
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -192.006549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.006549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.138761 (E_RNA)
where:
Base-Base interactions energy: -137.311
where: short stacking energy: -54.650
Base-Backbone interact. energy: -0.307
local terms energy: -54.520281
where:
bonds (distance) C4'-P energy: -9.258
bonds (distance) P-C4' energy: -8.985
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -14.273
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: 1, replica: 3
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -226.350895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.350895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.401321 (E_RNA)
where:
Base-Base interactions energy: -160.284
where: short stacking energy: -63.562
Base-Backbone interact. energy: -0.408
local terms energy: -65.709526
where:
bonds (distance) C4'-P energy: -14.432
bonds (distance) P-C4' energy: -12.784
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -7.281
tors. eta vs tors. theta energy: -16.512
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: 4
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -221.473621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.473621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.532497 (E_RNA)
where:
Base-Base interactions energy: -155.830
where: short stacking energy: -59.639
Base-Backbone interact. energy: -0.067
local terms energy: -65.635169
where:
bonds (distance) C4'-P energy: -13.960
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -6.984
tors. eta vs tors. theta energy: -17.649
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: 3, replica: 7
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -212.757802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.757802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.835317 (E_RNA)
where:
Base-Base interactions energy: -147.351
where: short stacking energy: -60.476
Base-Backbone interact. energy: -0.392
local terms energy: -65.092684
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -9.632
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -16.022
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: 4, replica: 10
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -212.166664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.166664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.193238 (E_RNA)
where:
Base-Base interactions energy: -147.684
where: short stacking energy: -58.178
Base-Backbone interact. energy: -0.013
local terms energy: -64.496031
where:
bonds (distance) C4'-P energy: -14.130
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -10.962
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: -16.742
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: 6
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -206.179438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.179438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.222890 (E_RNA)
where:
Base-Base interactions energy: -146.924
where: short stacking energy: -61.768
Base-Backbone interact. energy: 1.498
local terms energy: -60.796227
where:
bonds (distance) C4'-P energy: -7.694
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -12.140
tors. eta vs tors. theta energy: -13.991
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: 1
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -211.843216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.843216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.886834 (E_RNA)
where:
Base-Base interactions energy: -149.105
where: short stacking energy: -66.953
Base-Backbone interact. energy: 0.007
local terms energy: -62.789376
where:
bonds (distance) C4'-P energy: -12.188
bonds (distance) P-C4' energy: -10.455
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -16.917
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: 5
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -221.763158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.763158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.845177 (E_RNA)
where:
Base-Base interactions energy: -157.628
where: short stacking energy: -61.441
Base-Backbone interact. energy: -0.018
local terms energy: -64.198921
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: -15.324
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: 8, replica: 9
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -196.822162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.822162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.849583 (E_RNA)
where:
Base-Base interactions energy: -135.691
where: short stacking energy: -50.967
Base-Backbone interact. energy: -0.124
local terms energy: -61.034437
where:
bonds (distance) C4'-P energy: -9.299
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -8.592
tors. eta vs tors. theta energy: -14.645
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: 8
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -212.408605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.408605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.412589 (E_RNA)
where:
Base-Base interactions energy: -155.537
where: short stacking energy: -58.400
Base-Backbone interact. energy: -0.092
local terms energy: -56.783441
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -10.420
flat angles C4'-P-C4' energy: -11.530
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: -14.777
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: 2
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -192.526974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.526974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.658168 (E_RNA)
where:
Base-Base interactions energy: -133.719
where: short stacking energy: -51.097
Base-Backbone interact. energy: -0.100
local terms energy: -58.839041
where:
bonds (distance) C4'-P energy: -10.541
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -11.501
flat angles P-C4'-P energy: -8.199
tors. eta vs tors. theta energy: -14.943
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)
replica 3 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 9580099
moves confirmed later: 11262295
all moves confirmed: 20842394
percent of confirmed moves: 2.605299
current total energy: -201.477934
recalc. total energy: -201.477934
replica 4 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 11046574
moves confirmed later: 12810837
all moves confirmed: 23857411
percent of confirmed moves: 2.982176
current total energy: -188.303044
recalc. total energy: -188.303044
replica 10 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 9626223
moves confirmed later: 11310529
all moves confirmed: 20936752
percent of confirmed moves: 2.617094
current total energy: -189.254630
recalc. total energy: -189.254630
replica 7 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 9522804
moves confirmed later: 11176595
all moves confirmed: 20699399
percent of confirmed moves: 2.587425
current total energy: -180.748484
recalc. total energy: -180.748484
replica 1 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 9491639
moves confirmed later: 11107988
all moves confirmed: 20599627
percent of confirmed moves: 2.574953
current total energy: -177.995497
recalc. total energy: -177.995497
replica 6 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 9416840
moves confirmed later: 10988743
all moves confirmed: 20405583
percent of confirmed moves: 2.550698
current total energy: -176.696234
recalc. total energy: -176.696234
replica 5 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 10616977
moves confirmed later: 12375198
all moves confirmed: 22992175
percent of confirmed moves: 2.874022
current total energy: -175.413953
recalc. total energy: -175.413953
replica 9 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 9686189
moves confirmed later: 11341911
all moves confirmed: 21028100
percent of confirmed moves: 2.628512
current total energy: -143.979585
recalc. total energy: -143.979585
replica 2 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 9514019
moves confirmed later: 11143108
all moves confirmed: 20657127
percent of confirmed moves: 2.582141
current total energy: -164.248515
recalc. total energy: -164.248515
replica 8 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 9839972
moves confirmed later: 11603309
all moves confirmed: 21443281
percent of confirmed moves: 2.680410
current total energy: -161.270617
recalc. total energy: -161.270617
out arg RESULTS//1/asra-9f2803a7_01
Time of doing 8000000 iterations: 3247.269 seconds