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/VL30-32merconstraine-928de26f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/VL30-32merconstraine-928de26f/inputs/seq.fa: 1
curr_seq: _GGCAGCUUCUCAUUCCCCUGUCCCUCCCAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCAGCUUCUCAUUCCCCUGUCCCUCCCAUCC
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 32 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: 165
n_atoms_counter: 165
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _(((((............))))).........._
nucl1: 4, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 17
nucl1: 3, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 2, chain1: 0, <---> nucl2: 19, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 19
nucl1: 1, chain1: 0, <---> nucl2: 20, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 20
nucl1: 0, chain1: 0, <---> nucl2: 21, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 21
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 32.000000 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/VL30-32merconstraine-928de26f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/VL30-32merconstraine-928de26f/inputs/seq.fa: 1
curr_seq: _GGCAGCUUCUCAUUCCCCUGUCCCUCCCAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCAGCUUCUCAUUCCCCUGUCCCUCCCAUCC
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 32 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: 165
n_atoms_counter: 165
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _(((((............))))).........._
nucl1: 4, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 17
nucl1: 3, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 2, chain1: 0, <---> nucl2: 19, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 19
nucl1: 1, chain1: 0, <---> nucl2: 20, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 20
nucl1: 0, chain1: 0, <---> nucl2: 21, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 21
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 32.000000 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/VL30-32merconstraine-928de26f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/VL30-32merconstraine-928de26f/inputs/seq.fa: 1
curr_seq: _GGCAGCUUCUCAUUCCCCUGUCCCUCCCAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCAGCUUCUCAUUCCCCUGUCCCUCCCAUCC
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 32 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: 165
n_atoms_counter: 165
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _(((((............))))).........._
nucl1: 4, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 17
nucl1: 3, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 2, chain1: 0, <---> nucl2: 19, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 19
nucl1: 1, chain1: 0, <---> nucl2: 20, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 20
nucl1: 0, chain1: 0, <---> nucl2: 21, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 21
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 32.000000 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/VL30-32merconstraine-928de26f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/VL30-32merconstraine-928de26f/inputs/seq.fa: 1
curr_seq: _GGCAGCUUCUCAUUCCCCUGUCCCUCCCAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCAGCUUCUCAUUCCCCUGUCCCUCCCAUCC
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 32 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: 165
n_atoms_counter: 165
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _(((((............))))).........._
nucl1: 4, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 17
nucl1: 3, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 2, chain1: 0, <---> nucl2: 19, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 19
nucl1: 1, chain1: 0, <---> nucl2: 20, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 20
nucl1: 0, chain1: 0, <---> nucl2: 21, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 21
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 32.000000 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/VL30-32merconstraine-928de26f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/VL30-32merconstraine-928de26f/inputs/seq.fa: 1
curr_seq: _GGCAGCUUCUCAUUCCCCUGUCCCUCCCAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCAGCUUCUCAUUCCCCUGUCCCUCCCAUCC
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 32 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: 165
n_atoms_counter: 165
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _(((((............))))).........._
nucl1: 4, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 17
nucl1: 3, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 2, chain1: 0, <---> nucl2: 19, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 19
nucl1: 1, chain1: 0, <---> nucl2: 20, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 20
nucl1: 0, chain1: 0, <---> nucl2: 21, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 21
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 32.000000 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/VL30-32merconstraine-928de26f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/VL30-32merconstraine-928de26f/inputs/seq.fa: 1
curr_seq: _GGCAGCUUCUCAUUCCCCUGUCCCUCCCAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCAGCUUCUCAUUCCCCUGUCCCUCCCAUCC
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 32 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: 165
n_atoms_counter: 165
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _(((((............))))).........._
nucl1: 4, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 17
nucl1: 3, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 2, chain1: 0, <---> nucl2: 19, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 19
nucl1: 1, chain1: 0, <---> nucl2: 20, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 20
nucl1: 0, chain1: 0, <---> nucl2: 21, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 21
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 32.000000 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/VL30-32merconstraine-928de26f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/VL30-32merconstraine-928de26f/inputs/seq.fa: 1
curr_seq: _GGCAGCUUCUCAUUCCCCUGUCCCUCCCAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCAGCUUCUCAUUCCCCUGUCCCUCCCAUCC
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 32 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: 165
n_atoms_counter: 165
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _(((((............))))).........._
nucl1: 4, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 17
nucl1: 3, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 2, chain1: 0, <---> nucl2: 19, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 19
nucl1: 1, chain1: 0, <---> nucl2: 20, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 20
nucl1: 0, chain1: 0, <---> nucl2: 21, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 21
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 32.000000 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/VL30-32merconstraine-928de26f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/VL30-32merconstraine-928de26f/inputs/seq.fa: 1
curr_seq: _GGCAGCUUCUCAUUCCCCUGUCCCUCCCAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCAGCUUCUCAUUCCCCUGUCCCUCCCAUCC
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 32 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: 165
n_atoms_counter: 165
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _(((((............))))).........._
nucl1: 4, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 17
nucl1: 3, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 2, chain1: 0, <---> nucl2: 19, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 19
nucl1: 1, chain1: 0, <---> nucl2: 20, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 20
nucl1: 0, chain1: 0, <---> nucl2: 21, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 21
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 32.000000 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/VL30-32merconstraine-928de26f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/VL30-32merconstraine-928de26f/inputs/seq.fa: 1
curr_seq: _GGCAGCUUCUCAUUCCCCUGUCCCUCCCAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCAGCUUCUCAUUCCCCUGUCCCUCCCAUCC
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 32 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: 165
n_atoms_counter: 165
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _(((((............))))).........._
nucl1: 4, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 17
nucl1: 3, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 2, chain1: 0, <---> nucl2: 19, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 19
nucl1: 1, chain1: 0, <---> nucl2: 20, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 20
nucl1: 0, chain1: 0, <---> nucl2: 21, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 21
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 32.000000 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/VL30-32merconstraine-928de26f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/VL30-32merconstraine-928de26f/inputs/seq.fa: 1
curr_seq: _GGCAGCUUCUCAUUCCCCUGUCCCUCCCAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCAGCUUCUCAUUCCCCUGUCCCUCCCAUCC
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 32 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: 165
n_atoms_counter: 165
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _(((((............))))).........._
nucl1: 4, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 17
nucl1: 3, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 2, chain1: 0, <---> nucl2: 19, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 19
nucl1: 1, chain1: 0, <---> nucl2: 20, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 20
nucl1: 0, chain1: 0, <---> nucl2: 21, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 21
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 32.000000 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: 84.487617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 84.487617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.681232 (E_RNA)
where:
Base-Base interactions energy: 0.117
where: short stacking energy: 0.117
Base-Backbone interact. energy: -0.000
local terms energy: -118.798538
where:
bonds (distance) C4'-P energy: -31.090
bonds (distance) P-C4' energy: -29.524
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -26.876
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 203.169 (S_DIST_RNA)
chem. 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: 84.487617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 84.487617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.681232 (E_RNA)
where:
Base-Base interactions energy: 0.117
where: short stacking energy: 0.117
Base-Backbone interact. energy: -0.000
local terms energy: -118.798538
where:
bonds (distance) C4'-P energy: -31.090
bonds (distance) P-C4' energy: -29.524
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -26.876
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 203.169 (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: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: 84.487617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 84.487617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.681232 (E_RNA)
where:
Base-Base interactions energy: 0.117
where: short stacking energy: 0.117
Base-Backbone interact. energy: -0.000
local terms energy: -118.798538
where:
bonds (distance) C4'-P energy: -31.090
bonds (distance) P-C4' energy: -29.524
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -26.876
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 203.169 (S_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: 84.487617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 84.487617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.681232 (E_RNA)
where:
Base-Base interactions energy: 0.117
where: short stacking energy: 0.117
Base-Backbone interact. energy: -0.000
local terms energy: -118.798538
where:
bonds (distance) C4'-P energy: -31.090
bonds (distance) P-C4' energy: -29.524
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -26.876
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 203.169 (S_DIST_RNA)
chem. 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: 84.487617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 84.487617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.681232 (E_RNA)
where:
Base-Base interactions energy: 0.117
where: short stacking energy: 0.117
Base-Backbone interact. energy: -0.000
local terms energy: -118.798538
where:
bonds (distance) C4'-P energy: -31.090
bonds (distance) P-C4' energy: -29.524
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -26.876
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 203.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: 84.487617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 84.487617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.681232 (E_RNA)
where:
Base-Base interactions energy: 0.117
where: short stacking energy: 0.117
Base-Backbone interact. energy: -0.000
local terms energy: -118.798538
where:
bonds (distance) C4'-P energy: -31.090
bonds (distance) P-C4' energy: -29.524
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -26.876
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 203.169 (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: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: 84.487617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 84.487617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.681232 (E_RNA)
where:
Base-Base interactions energy: 0.117
where: short stacking energy: 0.117
Base-Backbone interact. energy: -0.000
local terms energy: -118.798538
where:
bonds (distance) C4'-P energy: -31.090
bonds (distance) P-C4' energy: -29.524
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -26.876
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 203.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: 84.487617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 84.487617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.681232 (E_RNA)
where:
Base-Base interactions energy: 0.117
where: short stacking energy: 0.117
Base-Backbone interact. energy: -0.000
local terms energy: -118.798538
where:
bonds (distance) C4'-P energy: -31.090
bonds (distance) P-C4' energy: -29.524
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -26.876
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 203.169 (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: 1
Temperature: 1.300000
Total energy: 84.487617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 84.487617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.681232 (E_RNA)
where:
Base-Base interactions energy: 0.117
where: short stacking energy: 0.117
Base-Backbone interact. energy: -0.000
local terms energy: -118.798538
where:
bonds (distance) C4'-P energy: -31.090
bonds (distance) P-C4' energy: -29.524
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -26.876
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 203.169 (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: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: 84.487617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 84.487617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.681232 (E_RNA)
where:
Base-Base interactions energy: 0.117
where: short stacking energy: 0.117
Base-Backbone interact. energy: -0.000
local terms energy: -118.798538
where:
bonds (distance) C4'-P energy: -31.090
bonds (distance) P-C4' energy: -29.524
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -26.876
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 203.169 (S_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: -265.207321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.207321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.924429 (E_RNA)
where:
Base-Base interactions energy: -162.742
where: short stacking energy: -84.072
Base-Backbone interact. energy: -0.039
local terms energy: -104.143509
where:
bonds (distance) C4'-P energy: -25.335
bonds (distance) P-C4' energy: -25.595
flat angles C4'-P-C4' energy: -20.589
flat angles P-C4'-P energy: -13.895
tors. eta vs tors. theta energy: -18.729
Dist. restrs. and SS energy: 1.717 (S_DIST_RNA)
chem. 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: -242.650845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.650845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.685386 (E_RNA)
where:
Base-Base interactions energy: -146.909
where: short stacking energy: -79.552
Base-Backbone interact. energy: -0.360
local terms energy: -95.415980
where:
bonds (distance) C4'-P energy: -23.026
bonds (distance) P-C4' energy: -26.118
flat angles C4'-P-C4' energy: -21.814
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: -11.038
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: 2
Temperature: 1.000000
Total energy: -226.080695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.080695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.213464 (E_RNA)
where:
Base-Base interactions energy: -132.888
where: short stacking energy: -67.905
Base-Backbone interact. energy: 1.473
local terms energy: -94.797841
where:
bonds (distance) C4'-P energy: -18.141
bonds (distance) P-C4' energy: -24.567
flat angles C4'-P-C4' energy: -25.048
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -16.138
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -230.842565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.842565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.856427 (E_RNA)
where:
Base-Base interactions energy: -140.655
where: short stacking energy: -73.927
Base-Backbone interact. energy: -0.095
local terms energy: -90.106608
where:
bonds (distance) C4'-P energy: -19.691
bonds (distance) P-C4' energy: -20.597
flat angles C4'-P-C4' energy: -20.710
flat angles P-C4'-P energy: -12.408
tors. eta vs tors. theta energy: -16.700
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: 2
Temperature: 1.100000
Total energy: -180.996059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.996059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.329550 (E_RNA)
where:
Base-Base interactions energy: -105.297
where: short stacking energy: -54.263
Base-Backbone interact. energy: -0.212
local terms energy: -79.821013
where:
bonds (distance) C4'-P energy: -18.779
bonds (distance) P-C4' energy: -21.272
flat angles C4'-P-C4' energy: -18.932
flat angles P-C4'-P energy: -16.215
tors. eta vs tors. theta energy: -4.624
Dist. restrs. and SS energy: 4.333 (S_DIST_RNA)
chem. 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: -146.519535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.519535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.437783 (E_RNA)
where:
Base-Base interactions energy: -71.989
where: short stacking energy: -52.471
Base-Backbone interact. energy: -0.236
local terms energy: -78.213245
where:
bonds (distance) C4'-P energy: -18.079
bonds (distance) P-C4' energy: -22.059
flat angles C4'-P-C4' energy: -24.306
flat angles P-C4'-P energy: -6.027
tors. eta vs tors. theta energy: -7.742
Dist. restrs. and SS energy: 3.918 (S_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: -221.667668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.667668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.810673 (E_RNA)
where:
Base-Base interactions energy: -134.442
where: short stacking energy: -73.398
Base-Backbone interact. energy: -0.430
local terms energy: -86.938473
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -21.003
flat angles C4'-P-C4' energy: -20.422
flat angles P-C4'-P energy: -13.531
tors. eta vs tors. theta energy: -18.666
Dist. restrs. and SS energy: 0.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -171.158065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.158065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.588655 (E_RNA)
where:
Base-Base interactions energy: -95.662
where: short stacking energy: -38.824
Base-Backbone interact. energy: -0.195
local terms energy: -75.731051
where:
bonds (distance) C4'-P energy: -14.834
bonds (distance) P-C4' energy: -20.509
flat angles C4'-P-C4' energy: -25.031
flat angles P-C4'-P energy: -5.203
tors. eta vs tors. theta energy: -10.153
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: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -185.389559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.389559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.454362 (E_RNA)
where:
Base-Base interactions energy: -109.257
where: short stacking energy: -50.839
Base-Backbone interact. energy: -0.138
local terms energy: -76.058742
where:
bonds (distance) C4'-P energy: -15.148
bonds (distance) P-C4' energy: -20.077
flat angles C4'-P-C4' energy: -18.449
flat angles P-C4'-P energy: -13.799
tors. eta vs tors. theta energy: -8.585
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: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -121.926019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.926019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.851188 (E_RNA)
where:
Base-Base interactions energy: -69.366
where: short stacking energy: -39.541
Base-Backbone interact. energy: -0.374
local terms energy: -57.111569
where:
bonds (distance) C4'-P energy: -19.097
bonds (distance) P-C4' energy: -9.930
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -0.647
Dist. restrs. and SS energy: 4.925 (S_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: -276.083553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.083553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.083553 (E_RNA)
where:
Base-Base interactions energy: -174.527
where: short stacking energy: -96.043
Base-Backbone interact. energy: -0.026
local terms energy: -101.530771
where:
bonds (distance) C4'-P energy: -23.634
bonds (distance) P-C4' energy: -23.896
flat angles C4'-P-C4' energy: -19.113
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: -25.406
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -242.040706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.040706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.072453 (E_RNA)
where:
Base-Base interactions energy: -143.928
where: short stacking energy: -80.117
Base-Backbone interact. energy: -1.278
local terms energy: -96.866329
where:
bonds (distance) C4'-P energy: -22.858
bonds (distance) P-C4' energy: -20.361
flat angles C4'-P-C4' energy: -20.403
flat angles P-C4'-P energy: -15.599
tors. eta vs tors. theta energy: -17.645
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -243.355248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.355248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.393049 (E_RNA)
where:
Base-Base interactions energy: -142.356
where: short stacking energy: -78.841
Base-Backbone interact. energy: -0.415
local terms energy: -100.622367
where:
bonds (distance) C4'-P energy: -23.986
bonds (distance) P-C4' energy: -21.607
flat angles C4'-P-C4' energy: -22.774
flat angles P-C4'-P energy: -14.937
tors. eta vs tors. theta energy: -17.318
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: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -246.110721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.110721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.253431 (E_RNA)
where:
Base-Base interactions energy: -156.158
where: short stacking energy: -88.754
Base-Backbone interact. energy: -0.134
local terms energy: -89.961306
where:
bonds (distance) C4'-P energy: -23.019
bonds (distance) P-C4' energy: -18.791
flat angles C4'-P-C4' energy: -18.033
flat angles P-C4'-P energy: -13.935
tors. eta vs tors. theta energy: -16.184
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: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -177.916999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.916999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.813586 (E_RNA)
where:
Base-Base interactions energy: -94.855
where: short stacking energy: -57.278
Base-Backbone interact. energy: -0.321
local terms energy: -88.637041
where:
bonds (distance) C4'-P energy: -20.870
bonds (distance) P-C4' energy: -25.634
flat angles C4'-P-C4' energy: -22.574
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -7.999
Dist. restrs. and SS energy: 5.897 (S_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: -237.021735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.021735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.145675 (E_RNA)
where:
Base-Base interactions energy: -148.010
where: short stacking energy: -75.607
Base-Backbone interact. energy: -0.255
local terms energy: -88.880388
where:
bonds (distance) C4'-P energy: -15.494
bonds (distance) P-C4' energy: -21.729
flat angles C4'-P-C4' energy: -20.800
flat angles P-C4'-P energy: -14.572
tors. eta vs tors. theta energy: -16.285
Dist. restrs. and SS energy: 0.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -157.598969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.598969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.021064 (E_RNA)
where:
Base-Base interactions energy: -82.126
where: short stacking energy: -40.080
Base-Backbone interact. energy: -0.019
local terms energy: -78.876245
where:
bonds (distance) C4'-P energy: -19.264
bonds (distance) P-C4' energy: -23.242
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -13.084
tors. eta vs tors. theta energy: -8.087
Dist. restrs. and SS energy: 3.422 (S_DIST_RNA)
chem. 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: -202.920917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.920917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.010478 (E_RNA)
where:
Base-Base interactions energy: -118.534
where: short stacking energy: -57.635
Base-Backbone interact. energy: -0.333
local terms energy: -84.143387
where:
bonds (distance) C4'-P energy: -24.174
bonds (distance) P-C4' energy: -23.687
flat angles C4'-P-C4' energy: -17.495
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -7.288
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: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -207.356264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.356264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.469769 (E_RNA)
where:
Base-Base interactions energy: -127.227
where: short stacking energy: -63.441
Base-Backbone interact. energy: -0.166
local terms energy: -80.076166
where:
bonds (distance) C4'-P energy: -19.475
bonds (distance) P-C4' energy: -18.036
flat angles C4'-P-C4' energy: -17.623
flat angles P-C4'-P energy: -13.919
tors. eta vs tors. theta energy: -11.022
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -175.211362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.211362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.745539 (E_RNA)
where:
Base-Base interactions energy: -98.841
where: short stacking energy: -45.487
Base-Backbone interact. energy: -0.355
local terms energy: -76.549032
where:
bonds (distance) C4'-P energy: -18.613
bonds (distance) P-C4' energy: -21.962
flat angles C4'-P-C4' energy: -17.341
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -6.313
Dist. restrs. and SS energy: 0.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -288.424170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.424170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.199916 (E_RNA)
where:
Base-Base interactions energy: -189.340
where: short stacking energy: -88.841
Base-Backbone interact. energy: -0.046
local terms energy: -100.814324
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -24.391
flat angles C4'-P-C4' energy: -20.850
flat angles P-C4'-P energy: -18.432
tors. eta vs tors. theta energy: -21.937
Dist. restrs. and SS energy: 1.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -252.725670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.725670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.881949 (E_RNA)
where:
Base-Base interactions energy: -154.591
where: short stacking energy: -84.676
Base-Backbone interact. energy: -0.545
local terms energy: -97.746793
where:
bonds (distance) C4'-P energy: -23.151
bonds (distance) P-C4' energy: -19.617
flat angles C4'-P-C4' energy: -21.333
flat angles P-C4'-P energy: -14.206
tors. eta vs tors. theta energy: -19.439
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: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -270.095426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.095426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.112847 (E_RNA)
where:
Base-Base interactions energy: -171.171
where: short stacking energy: -88.806
Base-Backbone interact. energy: -0.721
local terms energy: -98.220309
where:
bonds (distance) C4'-P energy: -22.109
bonds (distance) P-C4' energy: -21.723
flat angles C4'-P-C4' energy: -20.884
flat angles P-C4'-P energy: -14.909
tors. eta vs tors. theta energy: -18.596
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -216.238887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.238887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.267916 (E_RNA)
where:
Base-Base interactions energy: -128.356
where: short stacking energy: -66.498
Base-Backbone interact. energy: -0.254
local terms energy: -87.656976
where:
bonds (distance) C4'-P energy: -22.850
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -22.615
flat angles P-C4'-P energy: -14.732
tors. eta vs tors. theta energy: -12.737
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: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -245.101772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.101772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.130071 (E_RNA)
where:
Base-Base interactions energy: -145.154
where: short stacking energy: -78.792
Base-Backbone interact. energy: -1.249
local terms energy: -98.727018
where:
bonds (distance) C4'-P energy: -18.340
bonds (distance) P-C4' energy: -25.481
flat angles C4'-P-C4' energy: -21.663
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -21.087
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: 4
Temperature: 1.150000
Total energy: -176.264961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.264961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.460861 (E_RNA)
where:
Base-Base interactions energy: -100.984
where: short stacking energy: -50.111
Base-Backbone interact. energy: -0.262
local terms energy: -75.214239
where:
bonds (distance) C4'-P energy: -18.535
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -20.434
flat angles P-C4'-P energy: -13.401
tors. eta vs tors. theta energy: -7.880
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: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -246.628588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.628588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.253959 (E_RNA)
where:
Base-Base interactions energy: -149.555
where: short stacking energy: -80.415
Base-Backbone interact. energy: -0.017
local terms energy: -98.681665
where:
bonds (distance) C4'-P energy: -18.262
bonds (distance) P-C4' energy: -24.159
flat angles C4'-P-C4' energy: -18.401
flat angles P-C4'-P energy: -17.141
tors. eta vs tors. theta energy: -20.718
Dist. restrs. and SS energy: 1.625 (S_DIST_RNA)
chem. 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: -147.402220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.402220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.696650 (E_RNA)
where:
Base-Base interactions energy: -80.416
where: short stacking energy: -39.845
Base-Backbone interact. energy: 1.823
local terms energy: -70.103650
where:
bonds (distance) C4'-P energy: -13.517
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -24.330
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -4.089
Dist. restrs. and SS energy: 1.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -199.800976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.800976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.879775 (E_RNA)
where:
Base-Base interactions energy: -120.323
where: short stacking energy: -55.485
Base-Backbone interact. energy: -0.691
local terms energy: -78.865708
where:
bonds (distance) C4'-P energy: -17.282
bonds (distance) P-C4' energy: -20.527
flat angles C4'-P-C4' energy: -21.232
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -7.569
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -205.931517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.931517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.042635 (E_RNA)
where:
Base-Base interactions energy: -123.471
where: short stacking energy: -53.483
Base-Backbone interact. energy: -0.281
local terms energy: -82.290383
where:
bonds (distance) C4'-P energy: -21.801
bonds (distance) P-C4' energy: -20.885
flat angles C4'-P-C4' energy: -18.695
flat angles P-C4'-P energy: -15.651
tors. eta vs tors. theta energy: -5.258
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -309.577749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.577749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.503218 (E_RNA)
where:
Base-Base interactions energy: -190.898
where: short stacking energy: -112.154
Base-Backbone interact. energy: 0.523
local terms energy: -120.128222
where:
bonds (distance) C4'-P energy: -24.261
bonds (distance) P-C4' energy: -20.827
flat angles C4'-P-C4' energy: -24.785
flat angles P-C4'-P energy: -17.937
tors. eta vs tors. theta energy: -32.319
Dist. restrs. and SS energy: 0.925 (S_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: 5
Temperature: 0.950000
Total energy: -257.444934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.444934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.696661 (E_RNA)
where:
Base-Base interactions energy: -155.598
where: short stacking energy: -82.682
Base-Backbone interact. energy: -0.158
local terms energy: -101.940460
where:
bonds (distance) C4'-P energy: -18.373
bonds (distance) P-C4' energy: -20.791
flat angles C4'-P-C4' energy: -23.148
flat angles P-C4'-P energy: -17.424
tors. eta vs tors. theta energy: -22.204
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: 3, replica: 2
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -252.296420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.296420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.296420 (E_RNA)
where:
Base-Base interactions energy: -147.821
where: short stacking energy: -78.647
Base-Backbone interact. energy: -0.174
local terms energy: -104.301090
where:
bonds (distance) C4'-P energy: -22.262
bonds (distance) P-C4' energy: -26.610
flat angles C4'-P-C4' energy: -20.153
flat angles P-C4'-P energy: -17.709
tors. eta vs tors. theta energy: -17.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -240.479478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.479478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.518467 (E_RNA)
where:
Base-Base interactions energy: -152.006
where: short stacking energy: -75.993
Base-Backbone interact. energy: -0.523
local terms energy: -87.989183
where:
bonds (distance) C4'-P energy: -20.021
bonds (distance) P-C4' energy: -21.596
flat angles C4'-P-C4' energy: -22.946
flat angles P-C4'-P energy: -11.572
tors. eta vs tors. theta energy: -11.854
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -231.007572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.007572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.089295 (E_RNA)
where:
Base-Base interactions energy: -141.870
where: short stacking energy: -81.802
Base-Backbone interact. energy: -0.114
local terms energy: -89.104857
where:
bonds (distance) C4'-P energy: -18.402
bonds (distance) P-C4' energy: -18.447
flat angles C4'-P-C4' energy: -20.635
flat angles P-C4'-P energy: -13.114
tors. eta vs tors. theta energy: -18.506
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: 5
Temperature: 1.150000
Total energy: -249.984589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.984589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.032319 (E_RNA)
where:
Base-Base interactions energy: -148.916
where: short stacking energy: -83.085
Base-Backbone interact. energy: -0.403
local terms energy: -100.712722
where:
bonds (distance) C4'-P energy: -21.496
bonds (distance) P-C4' energy: -21.567
flat angles C4'-P-C4' energy: -21.060
flat angles P-C4'-P energy: -12.595
tors. eta vs tors. theta energy: -23.995
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: 5
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -227.201024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.201024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.505193 (E_RNA)
where:
Base-Base interactions energy: -138.095
where: short stacking energy: -67.225
Base-Backbone interact. energy: -0.602
local terms energy: -89.807955
where:
bonds (distance) C4'-P energy: -16.842
bonds (distance) P-C4' energy: -22.771
flat angles C4'-P-C4' energy: -20.073
flat angles P-C4'-P energy: -17.246
tors. eta vs tors. theta energy: -12.877
Dist. restrs. and SS energy: 1.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -231.537259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.537259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.769637 (E_RNA)
where:
Base-Base interactions energy: -132.444
where: short stacking energy: -71.215
Base-Backbone interact. energy: 0.436
local terms energy: -99.761951
where:
bonds (distance) C4'-P energy: -23.765
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -22.123
flat angles P-C4'-P energy: -16.427
tors. eta vs tors. theta energy: -19.979
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: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -218.024648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.024648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.740410 (E_RNA)
where:
Base-Base interactions energy: -129.250
where: short stacking energy: -70.814
Base-Backbone interact. energy: -0.567
local terms energy: -88.924076
where:
bonds (distance) C4'-P energy: -21.615
bonds (distance) P-C4' energy: -19.921
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -15.452
tors. eta vs tors. theta energy: -14.858
Dist. restrs. and SS energy: 0.716 (S_DIST_RNA)
chem. 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: -201.051639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.051639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.284873 (E_RNA)
where:
Base-Base interactions energy: -123.450
where: short stacking energy: -54.645
Base-Backbone interact. energy: -1.599
local terms energy: -76.235153
where:
bonds (distance) C4'-P energy: -19.094
bonds (distance) P-C4' energy: -11.619
flat angles C4'-P-C4' energy: -17.393
flat angles P-C4'-P energy: -11.850
tors. eta vs tors. theta energy: -16.279
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: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -304.517218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.517218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.752055 (E_RNA)
where:
Base-Base interactions energy: -187.127
where: short stacking energy: -109.008
Base-Backbone interact. energy: -0.001
local terms energy: -119.624385
where:
bonds (distance) C4'-P energy: -21.556
bonds (distance) P-C4' energy: -22.391
flat angles C4'-P-C4' energy: -26.579
flat angles P-C4'-P energy: -16.345
tors. eta vs tors. theta energy: -32.752
Dist. restrs. and SS energy: 2.235 (S_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: 6
Temperature: 0.950000
Total energy: -271.594891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.594891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.602874 (E_RNA)
where:
Base-Base interactions energy: -162.155
where: short stacking energy: -93.814
Base-Backbone interact. energy: -0.060
local terms energy: -109.387755
where:
bonds (distance) C4'-P energy: -21.517
bonds (distance) P-C4' energy: -25.610
flat angles C4'-P-C4' energy: -23.428
flat angles P-C4'-P energy: -17.696
tors. eta vs tors. theta energy: -21.136
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: 2
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -264.276746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.276746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.380064 (E_RNA)
where:
Base-Base interactions energy: -159.467
where: short stacking energy: -93.433
Base-Backbone interact. energy: -0.384
local terms energy: -104.528916
where:
bonds (distance) C4'-P energy: -21.732
bonds (distance) P-C4' energy: -21.453
flat angles C4'-P-C4' energy: -21.993
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -30.303
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: 4, replica: 7
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -261.194007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.194007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.997626 (E_RNA)
where:
Base-Base interactions energy: -155.046
where: short stacking energy: -79.379
Base-Backbone interact. energy: -0.587
local terms energy: -107.364620
where:
bonds (distance) C4'-P energy: -22.456
bonds (distance) P-C4' energy: -24.339
flat angles C4'-P-C4' energy: -22.011
flat angles P-C4'-P energy: -18.108
tors. eta vs tors. theta energy: -20.450
Dist. restrs. and SS energy: 1.804 (S_DIST_RNA)
chem. 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: -267.269484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.269484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.825215 (E_RNA)
where:
Base-Base interactions energy: -159.959
where: short stacking energy: -97.833
Base-Backbone interact. energy: -0.032
local terms energy: -109.833622
where:
bonds (distance) C4'-P energy: -20.657
bonds (distance) P-C4' energy: -25.882
flat angles C4'-P-C4' energy: -20.344
flat angles P-C4'-P energy: -17.009
tors. eta vs tors. theta energy: -25.942
Dist. restrs. and SS energy: 2.556 (S_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: 6
Temperature: 1.150000
Total energy: -223.259713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.259713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.464034 (E_RNA)
where:
Base-Base interactions energy: -139.444
where: short stacking energy: -66.319
Base-Backbone interact. energy: -0.056
local terms energy: -83.964171
where:
bonds (distance) C4'-P energy: -17.290
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -17.347
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: -18.036
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: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -226.373109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.373109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.460785 (E_RNA)
where:
Base-Base interactions energy: -135.835
where: short stacking energy: -75.956
Base-Backbone interact. energy: -0.242
local terms energy: -90.383607
where:
bonds (distance) C4'-P energy: -21.797
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -21.536
flat angles P-C4'-P energy: -7.187
tors. eta vs tors. theta energy: -20.940
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -206.844440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.844440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.948465 (E_RNA)
where:
Base-Base interactions energy: -129.282
where: short stacking energy: -60.810
Base-Backbone interact. energy: -0.307
local terms energy: -77.359023
where:
bonds (distance) C4'-P energy: -11.989
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -20.003
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -15.358
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: 6
Temperature: 1.300000
Total energy: -198.133620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.133620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.172084 (E_RNA)
where:
Base-Base interactions energy: -122.721
where: short stacking energy: -53.737
Base-Backbone interact. energy: -0.247
local terms energy: -77.204505
where:
bonds (distance) C4'-P energy: -16.143
bonds (distance) P-C4' energy: -19.930
flat angles C4'-P-C4' energy: -21.004
flat angles P-C4'-P energy: -12.049
tors. eta vs tors. theta energy: -8.078
Dist. restrs. and SS energy: 2.038 (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: 6
Temperature: 1.350000
Total energy: -202.997012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.997012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.129453 (E_RNA)
where:
Base-Base interactions energy: -127.836
where: short stacking energy: -63.175
Base-Backbone interact. energy: 0.703
local terms energy: -75.996251
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -21.826
flat angles P-C4'-P energy: -13.682
tors. eta vs tors. theta energy: -13.718
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: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -288.147806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.147806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.198464 (E_RNA)
where:
Base-Base interactions energy: -170.081
where: short stacking energy: -97.154
Base-Backbone interact. energy: -0.076
local terms energy: -118.041620
where:
bonds (distance) C4'-P energy: -18.931
bonds (distance) P-C4' energy: -24.114
flat angles C4'-P-C4' energy: -25.435
flat angles P-C4'-P energy: -19.375
tors. eta vs tors. theta energy: -30.188
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: 7
Temperature: 0.950000
Total energy: -276.010878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.010878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.061030 (E_RNA)
where:
Base-Base interactions energy: -165.604
where: short stacking energy: -96.179
Base-Backbone interact. energy: -0.536
local terms energy: -109.921844
where:
bonds (distance) C4'-P energy: -23.403
bonds (distance) P-C4' energy: -21.961
flat angles C4'-P-C4' energy: -26.101
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -25.123
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: 4
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -259.967413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.967413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.065002 (E_RNA)
where:
Base-Base interactions energy: -161.588
where: short stacking energy: -90.779
Base-Backbone interact. energy: -0.043
local terms energy: -98.434279
where:
bonds (distance) C4'-P energy: -19.618
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -17.279
flat angles P-C4'-P energy: -18.092
tors. eta vs tors. theta energy: -24.985
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: 9
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -264.637063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.637063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.862291 (E_RNA)
where:
Base-Base interactions energy: -167.975
where: short stacking energy: -82.659
Base-Backbone interact. energy: 0.072
local terms energy: -97.958615
where:
bonds (distance) C4'-P energy: -24.604
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -20.806
flat angles P-C4'-P energy: -12.728
tors. eta vs tors. theta energy: -21.762
Dist. restrs. and SS energy: 1.225 (S_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: 7
Temperature: 1.100000
Total energy: -268.783963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.783963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.131765 (E_RNA)
where:
Base-Base interactions energy: -169.926
where: short stacking energy: -101.504
Base-Backbone interact. energy: 2.397
local terms energy: -103.602623
where:
bonds (distance) C4'-P energy: -19.186
bonds (distance) P-C4' energy: -20.327
flat angles C4'-P-C4' energy: -22.372
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -31.590
Dist. restrs. and SS energy: 2.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -243.853756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.853756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.102919 (E_RNA)
where:
Base-Base interactions energy: -150.338
where: short stacking energy: -86.738
Base-Backbone interact. energy: -0.124
local terms energy: -93.641032
where:
bonds (distance) C4'-P energy: -21.379
bonds (distance) P-C4' energy: -21.467
flat angles C4'-P-C4' energy: -17.969
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: -21.237
Dist. restrs. and SS energy: 0.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -214.522705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.522705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.675187 (E_RNA)
where:
Base-Base interactions energy: -122.450
where: short stacking energy: -68.491
Base-Backbone interact. energy: -0.954
local terms energy: -91.271294
where:
bonds (distance) C4'-P energy: -7.529
bonds (distance) P-C4' energy: -24.212
flat angles C4'-P-C4' energy: -21.471
flat angles P-C4'-P energy: -18.516
tors. eta vs tors. theta energy: -19.544
Dist. restrs. and SS energy: 0.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -217.288901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.288901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.479568 (E_RNA)
where:
Base-Base interactions energy: -128.648
where: short stacking energy: -58.655
Base-Backbone interact. energy: 0.470
local terms energy: -89.301100
where:
bonds (distance) C4'-P energy: -20.630
bonds (distance) P-C4' energy: -21.353
flat angles C4'-P-C4' energy: -18.700
flat angles P-C4'-P energy: -15.729
tors. eta vs tors. theta energy: -12.890
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: 9, replica: 5
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -201.232277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.232277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.762627 (E_RNA)
where:
Base-Base interactions energy: -119.348
where: short stacking energy: -58.628
Base-Backbone interact. energy: -0.161
local terms energy: -82.253653
where:
bonds (distance) C4'-P energy: -20.112
bonds (distance) P-C4' energy: -21.332
flat angles C4'-P-C4' energy: -15.511
flat angles P-C4'-P energy: -12.822
tors. eta vs tors. theta energy: -12.476
Dist. restrs. and SS energy: 0.530 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -204.756896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.756896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.766742 (E_RNA)
where:
Base-Base interactions energy: -125.436
where: short stacking energy: -60.613
Base-Backbone interact. energy: -1.628
local terms energy: -77.703143
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -20.676
flat angles C4'-P-C4' energy: -17.796
flat angles P-C4'-P energy: -12.770
tors. eta vs tors. theta energy: -12.398
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: 1, replica: 2
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -283.759795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.759795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.494714 (E_RNA)
where:
Base-Base interactions energy: -187.517
where: short stacking energy: -94.808
Base-Backbone interact. energy: -0.460
local terms energy: -97.517528
where:
bonds (distance) C4'-P energy: -21.457
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -23.876
flat angles P-C4'-P energy: -15.635
tors. eta vs tors. theta energy: -20.746
Dist. restrs. and SS energy: 1.735 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -284.987616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.987616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.371999 (E_RNA)
where:
Base-Base interactions energy: -167.358
where: short stacking energy: -92.856
Base-Backbone interact. energy: -0.333
local terms energy: -117.680940
where:
bonds (distance) C4'-P energy: -21.319
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -25.042
flat angles P-C4'-P energy: -16.825
tors. eta vs tors. theta energy: -27.655
Dist. restrs. and SS energy: 0.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -270.095113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.095113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.760330 (E_RNA)
where:
Base-Base interactions energy: -171.638
where: short stacking energy: -88.415
Base-Backbone interact. energy: -0.028
local terms energy: -100.094363
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -21.424
flat angles C4'-P-C4' energy: -19.581
flat angles P-C4'-P energy: -16.408
tors. eta vs tors. theta energy: -25.573
Dist. restrs. and SS energy: 1.665 (S_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: 8
Temperature: 1.050000
Total energy: -251.023555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.023555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.117036 (E_RNA)
where:
Base-Base interactions energy: -149.518
where: short stacking energy: -86.326
Base-Backbone interact. energy: -0.006
local terms energy: -101.592615
where:
bonds (distance) C4'-P energy: -22.459
bonds (distance) P-C4' energy: -20.979
flat angles C4'-P-C4' energy: -17.487
flat angles P-C4'-P energy: -17.819
tors. eta vs tors. theta energy: -22.848
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -248.441274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.441274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.502569 (E_RNA)
where:
Base-Base interactions energy: -144.324
where: short stacking energy: -83.831
Base-Backbone interact. energy: -0.044
local terms energy: -104.134292
where:
bonds (distance) C4'-P energy: -18.916
bonds (distance) P-C4' energy: -24.475
flat angles C4'-P-C4' energy: -23.722
flat angles P-C4'-P energy: -17.823
tors. eta vs tors. theta energy: -19.199
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: 7
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -271.705349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.705349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.652434 (E_RNA)
where:
Base-Base interactions energy: -160.552
where: short stacking energy: -94.753
Base-Backbone interact. energy: -0.022
local terms energy: -112.078527
where:
bonds (distance) C4'-P energy: -21.951
bonds (distance) P-C4' energy: -19.723
flat angles C4'-P-C4' energy: -24.846
flat angles P-C4'-P energy: -15.262
tors. eta vs tors. theta energy: -30.297
Dist. restrs. and SS energy: 0.947 (S_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: 8
Temperature: 1.200000
Total energy: -229.146663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.146663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.217822 (E_RNA)
where:
Base-Base interactions energy: -141.500
where: short stacking energy: -76.639
Base-Backbone interact. energy: 0.877
local terms energy: -88.594779
where:
bonds (distance) C4'-P energy: -14.586
bonds (distance) P-C4' energy: -18.523
flat angles C4'-P-C4' energy: -19.145
flat angles P-C4'-P energy: -17.000
tors. eta vs tors. theta energy: -19.340
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: 8
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -202.450416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.450416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.537427 (E_RNA)
where:
Base-Base interactions energy: -122.577
where: short stacking energy: -60.447
Base-Backbone interact. energy: 0.360
local terms energy: -80.320976
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -22.096
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -12.903
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: 5
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -217.142821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.142821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.157041 (E_RNA)
where:
Base-Base interactions energy: -133.261
where: short stacking energy: -67.364
Base-Backbone interact. energy: -0.521
local terms energy: -83.375004
where:
bonds (distance) C4'-P energy: -21.039
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -19.773
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -14.541
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: 6
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -194.098859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.098859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.212691 (E_RNA)
where:
Base-Base interactions energy: -117.133
where: short stacking energy: -55.666
Base-Backbone interact. energy: -0.173
local terms energy: -76.906727
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -21.081
flat angles P-C4'-P energy: -12.919
tors. eta vs tors. theta energy: -13.444
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: 2
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -299.592145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.592145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.776212 (E_RNA)
where:
Base-Base interactions energy: -189.662
where: short stacking energy: -103.869
Base-Backbone interact. energy: -0.202
local terms energy: -109.911936
where:
bonds (distance) C4'-P energy: -21.452
bonds (distance) P-C4' energy: -23.123
flat angles C4'-P-C4' energy: -23.838
flat angles P-C4'-P energy: -15.299
tors. eta vs tors. theta energy: -26.200
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: 2, replica: 1
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -299.035061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.035061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.253981 (E_RNA)
where:
Base-Base interactions energy: -180.263
where: short stacking energy: -102.620
Base-Backbone interact. energy: -0.033
local terms energy: -118.957642
where:
bonds (distance) C4'-P energy: -19.582
bonds (distance) P-C4' energy: -23.825
flat angles C4'-P-C4' energy: -25.179
flat angles P-C4'-P energy: -16.954
tors. eta vs tors. theta energy: -33.417
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: 3, replica: 9
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -265.777170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.777170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.345889 (E_RNA)
where:
Base-Base interactions energy: -167.130
where: short stacking energy: -89.194
Base-Backbone interact. energy: -0.093
local terms energy: -99.122877
where:
bonds (distance) C4'-P energy: -21.010
bonds (distance) P-C4' energy: -21.751
flat angles C4'-P-C4' energy: -20.268
flat angles P-C4'-P energy: -14.365
tors. eta vs tors. theta energy: -21.730
Dist. restrs. and SS energy: 0.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -263.825914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.825914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.847451 (E_RNA)
where:
Base-Base interactions energy: -162.203
where: short stacking energy: -88.902
Base-Backbone interact. energy: -1.427
local terms energy: -100.218089
where:
bonds (distance) C4'-P energy: -21.393
bonds (distance) P-C4' energy: -21.874
flat angles C4'-P-C4' energy: -22.661
flat angles P-C4'-P energy: -20.044
tors. eta vs tors. theta energy: -14.246
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: 5, replica: 4
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -246.411543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.411543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.438916 (E_RNA)
where:
Base-Base interactions energy: -148.872
where: short stacking energy: -80.738
Base-Backbone interact. energy: -0.041
local terms energy: -97.525585
where:
bonds (distance) C4'-P energy: -20.751
bonds (distance) P-C4' energy: -24.082
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -15.048
tors. eta vs tors. theta energy: -21.617
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: 3
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -236.433006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.433006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.524850 (E_RNA)
where:
Base-Base interactions energy: -143.090
where: short stacking energy: -73.517
Base-Backbone interact. energy: -0.126
local terms energy: -93.309156
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -25.228
flat angles C4'-P-C4' energy: -19.292
flat angles P-C4'-P energy: -16.111
tors. eta vs tors. theta energy: -18.130
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: 7
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -217.834117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.834117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.906151 (E_RNA)
where:
Base-Base interactions energy: -129.369
where: short stacking energy: -57.826
Base-Backbone interact. energy: -0.018
local terms energy: -89.518826
where:
bonds (distance) C4'-P energy: -23.693
bonds (distance) P-C4' energy: -18.914
flat angles C4'-P-C4' energy: -19.120
flat angles P-C4'-P energy: -14.922
tors. eta vs tors. theta energy: -12.870
Dist. restrs. and SS energy: 1.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -232.605092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.605092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.900838 (E_RNA)
where:
Base-Base interactions energy: -140.548
where: short stacking energy: -69.371
Base-Backbone interact. energy: -0.182
local terms energy: -92.171280
where:
bonds (distance) C4'-P energy: -21.792
bonds (distance) P-C4' energy: -23.684
flat angles C4'-P-C4' energy: -16.794
flat angles P-C4'-P energy: -16.682
tors. eta vs tors. theta energy: -13.219
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: 9, replica: 8
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -211.488480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.488480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.565617 (E_RNA)
where:
Base-Base interactions energy: -137.873
where: short stacking energy: -71.408
Base-Backbone interact. energy: -0.297
local terms energy: -73.395233
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -20.164
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -13.746
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: 10, replica: 6
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -203.651700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.651700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.672966 (E_RNA)
where:
Base-Base interactions energy: -123.348
where: short stacking energy: -63.970
Base-Backbone interact. energy: -0.695
local terms energy: -79.630007
where:
bonds (distance) C4'-P energy: -20.127
bonds (distance) P-C4' energy: -21.349
flat angles C4'-P-C4' energy: -11.741
flat angles P-C4'-P energy: -11.678
tors. eta vs tors. theta energy: -14.735
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: 10
Temperature: 0.900000
Total energy: -288.449395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.449395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.514212 (E_RNA)
where:
Base-Base interactions energy: -182.875
where: short stacking energy: -110.064
Base-Backbone interact. energy: 0.332
local terms energy: -105.971045
where:
bonds (distance) C4'-P energy: -14.875
bonds (distance) P-C4' energy: -25.187
flat angles C4'-P-C4' energy: -22.438
flat angles P-C4'-P energy: -17.811
tors. eta vs tors. theta energy: -25.660
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: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -292.772692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.772692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.846486 (E_RNA)
where:
Base-Base interactions energy: -181.272
where: short stacking energy: -100.709
Base-Backbone interact. energy: -0.090
local terms energy: -111.485225
where:
bonds (distance) C4'-P energy: -22.231
bonds (distance) P-C4' energy: -20.404
flat angles C4'-P-C4' energy: -26.205
flat angles P-C4'-P energy: -14.345
tors. eta vs tors. theta energy: -28.301
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: 9
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -270.822813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.822813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.123246 (E_RNA)
where:
Base-Base interactions energy: -167.389
where: short stacking energy: -93.896
Base-Backbone interact. energy: -0.370
local terms energy: -104.363359
where:
bonds (distance) C4'-P energy: -21.677
bonds (distance) P-C4' energy: -23.968
flat angles C4'-P-C4' energy: -22.082
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -26.781
Dist. restrs. and SS energy: 1.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -267.516832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.516832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.537044 (E_RNA)
where:
Base-Base interactions energy: -158.514
where: short stacking energy: -89.456
Base-Backbone interact. energy: -0.059
local terms energy: -108.964600
where:
bonds (distance) C4'-P energy: -22.868
bonds (distance) P-C4' energy: -24.902
flat angles C4'-P-C4' energy: -23.110
flat angles P-C4'-P energy: -13.009
tors. eta vs tors. theta energy: -25.075
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: 4
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -264.907120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.907120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.907120 (E_RNA)
where:
Base-Base interactions energy: -159.850
where: short stacking energy: -91.398
Base-Backbone interact. energy: -0.125
local terms energy: -104.932073
where:
bonds (distance) C4'-P energy: -19.869
bonds (distance) P-C4' energy: -25.769
flat angles C4'-P-C4' energy: -21.951
flat angles P-C4'-P energy: -12.540
tors. eta vs tors. theta energy: -24.803
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -236.246481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.246481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.274313 (E_RNA)
where:
Base-Base interactions energy: -145.124
where: short stacking energy: -81.483
Base-Backbone interact. energy: 1.527
local terms energy: -92.676720
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -25.472
flat angles C4'-P-C4' energy: -21.209
flat angles P-C4'-P energy: -13.401
tors. eta vs tors. theta energy: -18.357
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: 5
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -226.467072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.467072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.666057 (E_RNA)
where:
Base-Base interactions energy: -146.867
where: short stacking energy: -80.196
Base-Backbone interact. energy: -0.259
local terms energy: -80.539477
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -20.787
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -18.591
Dist. restrs. and SS energy: 1.199 (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: 7
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -210.532989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.532989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.544294 (E_RNA)
where:
Base-Base interactions energy: -119.594
where: short stacking energy: -64.754
Base-Backbone interact. energy: -0.105
local terms energy: -90.845353
where:
bonds (distance) C4'-P energy: -18.104
bonds (distance) P-C4' energy: -24.827
flat angles C4'-P-C4' energy: -26.122
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -9.792
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -220.795654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.795654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.839537 (E_RNA)
where:
Base-Base interactions energy: -141.664
where: short stacking energy: -72.988
Base-Backbone interact. energy: -0.496
local terms energy: -80.680340
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -21.572
flat angles C4'-P-C4' energy: -18.571
flat angles P-C4'-P energy: -12.510
tors. eta vs tors. theta energy: -13.425
Dist. restrs. and SS energy: 2.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -201.059444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.059444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.250614 (E_RNA)
where:
Base-Base interactions energy: -121.733
where: short stacking energy: -64.495
Base-Backbone interact. energy: -0.059
local terms energy: -79.458761
where:
bonds (distance) C4'-P energy: -13.728
bonds (distance) P-C4' energy: -21.518
flat angles C4'-P-C4' energy: -24.287
flat angles P-C4'-P energy: -6.824
tors. eta vs tors. theta energy: -13.101
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: 1, replica: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -278.032866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.032866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.953474 (E_RNA)
where:
Base-Base interactions energy: -169.305
where: short stacking energy: -89.023
Base-Backbone interact. energy: -0.012
local terms energy: -110.636351
where:
bonds (distance) C4'-P energy: -21.803
bonds (distance) P-C4' energy: -22.377
flat angles C4'-P-C4' energy: -19.992
flat angles P-C4'-P energy: -19.375
tors. eta vs tors. theta energy: -27.089
Dist. restrs. and SS energy: 1.921 (S_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: 11
Temperature: 0.950000
Total energy: -298.081321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.081321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.081321 (E_RNA)
where:
Base-Base interactions energy: -182.206
where: short stacking energy: -117.921
Base-Backbone interact. energy: -0.002
local terms energy: -115.873626
where:
bonds (distance) C4'-P energy: -20.080
bonds (distance) P-C4' energy: -20.090
flat angles C4'-P-C4' energy: -23.701
flat angles P-C4'-P energy: -17.786
tors. eta vs tors. theta energy: -34.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -247.639389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.639389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.656459 (E_RNA)
where:
Base-Base interactions energy: -154.571
where: short stacking energy: -87.365
Base-Backbone interact. energy: 0.033
local terms energy: -93.118176
where:
bonds (distance) C4'-P energy: -16.784
bonds (distance) P-C4' energy: -22.175
flat angles C4'-P-C4' energy: -24.120
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -19.506
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: 4
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -270.944113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.944113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.027308 (E_RNA)
where:
Base-Base interactions energy: -163.677
where: short stacking energy: -95.757
Base-Backbone interact. energy: -0.342
local terms energy: -107.007903
where:
bonds (distance) C4'-P energy: -19.614
bonds (distance) P-C4' energy: -23.327
flat angles C4'-P-C4' energy: -21.777
flat angles P-C4'-P energy: -12.751
tors. eta vs tors. theta energy: -29.539
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -248.677529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.677529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.707629 (E_RNA)
where:
Base-Base interactions energy: -152.883
where: short stacking energy: -86.875
Base-Backbone interact. energy: -0.382
local terms energy: -95.442200
where:
bonds (distance) C4'-P energy: -19.883
bonds (distance) P-C4' energy: -23.426
flat angles C4'-P-C4' energy: -19.540
flat angles P-C4'-P energy: -12.798
tors. eta vs tors. theta energy: -19.794
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: 3
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -228.309431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.309431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.498535 (E_RNA)
where:
Base-Base interactions energy: -135.155
where: short stacking energy: -72.039
Base-Backbone interact. energy: -0.149
local terms energy: -93.194062
where:
bonds (distance) C4'-P energy: -18.662
bonds (distance) P-C4' energy: -19.322
flat angles C4'-P-C4' energy: -23.285
flat angles P-C4'-P energy: -14.662
tors. eta vs tors. theta energy: -17.264
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: 7, replica: 5
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -238.782804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.782804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.943746 (E_RNA)
where:
Base-Base interactions energy: -149.743
where: short stacking energy: -70.549
Base-Backbone interact. energy: 0.092
local terms energy: -90.293422
where:
bonds (distance) C4'-P energy: -18.742
bonds (distance) P-C4' energy: -19.211
flat angles C4'-P-C4' energy: -22.435
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -19.452
Dist. restrs. and SS energy: 1.161 (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: 11
Temperature: 1.250000
Total energy: -233.680491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.680491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.179990 (E_RNA)
where:
Base-Base interactions energy: -147.568
where: short stacking energy: -70.954
Base-Backbone interact. energy: -0.441
local terms energy: -87.171261
where:
bonds (distance) C4'-P energy: -13.840
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -21.321
flat angles P-C4'-P energy: -17.155
tors. eta vs tors. theta energy: -20.800
Dist. restrs. and SS energy: 1.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -199.992544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.992544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.012886 (E_RNA)
where:
Base-Base interactions energy: -117.726
where: short stacking energy: -59.268
Base-Backbone interact. energy: -0.155
local terms energy: -82.131683
where:
bonds (distance) C4'-P energy: -19.349
bonds (distance) P-C4' energy: -23.856
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -11.184
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -222.780249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.780249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.794342 (E_RNA)
where:
Base-Base interactions energy: -141.457
where: short stacking energy: -73.331
Base-Backbone interact. energy: -0.180
local terms energy: -81.157878
where:
bonds (distance) C4'-P energy: -10.823
bonds (distance) P-C4' energy: -17.610
flat angles C4'-P-C4' energy: -25.822
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -17.698
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: 1
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -308.112903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.112903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.107363 (E_RNA)
where:
Base-Base interactions energy: -197.481
where: short stacking energy: -96.117
Base-Backbone interact. energy: -0.199
local terms energy: -111.427013
where:
bonds (distance) C4'-P energy: -21.449
bonds (distance) P-C4' energy: -22.298
flat angles C4'-P-C4' energy: -22.630
flat angles P-C4'-P energy: -16.667
tors. eta vs tors. theta energy: -28.383
Dist. restrs. and SS energy: 0.994 (S_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: 12
Temperature: 0.950000
Total energy: -297.814988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.814988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.921852 (E_RNA)
where:
Base-Base interactions energy: -175.722
where: short stacking energy: -107.041
Base-Backbone interact. energy: -0.005
local terms energy: -122.194247
where:
bonds (distance) C4'-P energy: -22.770
bonds (distance) P-C4' energy: -24.381
flat angles C4'-P-C4' energy: -23.269
flat angles P-C4'-P energy: -19.010
tors. eta vs tors. theta energy: -32.765
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: 12
Temperature: 1.000000
Total energy: -260.148326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.148326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.256824 (E_RNA)
where:
Base-Base interactions energy: -159.020
where: short stacking energy: -89.785
Base-Backbone interact. energy: -0.096
local terms energy: -101.140400
where:
bonds (distance) C4'-P energy: -19.923
bonds (distance) P-C4' energy: -26.351
flat angles C4'-P-C4' energy: -24.681
flat angles P-C4'-P energy: -7.594
tors. eta vs tors. theta energy: -22.593
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -249.891342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.891342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.940003 (E_RNA)
where:
Base-Base interactions energy: -151.427
where: short stacking energy: -85.643
Base-Backbone interact. energy: -0.286
local terms energy: -98.227368
where:
bonds (distance) C4'-P energy: -18.266
bonds (distance) P-C4' energy: -21.644
flat angles C4'-P-C4' energy: -20.824
flat angles P-C4'-P energy: -17.055
tors. eta vs tors. theta energy: -20.438
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: 10
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -268.783533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.783533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.793593 (E_RNA)
where:
Base-Base interactions energy: -162.480
where: short stacking energy: -88.859
Base-Backbone interact. energy: -0.122
local terms energy: -106.191412
where:
bonds (distance) C4'-P energy: -21.586
bonds (distance) P-C4' energy: -24.184
flat angles C4'-P-C4' energy: -23.465
flat angles P-C4'-P energy: -13.535
tors. eta vs tors. theta energy: -23.421
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -239.560568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.560568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.573617 (E_RNA)
where:
Base-Base interactions energy: -148.231
where: short stacking energy: -76.556
Base-Backbone interact. energy: -0.294
local terms energy: -91.048582
where:
bonds (distance) C4'-P energy: -19.835
bonds (distance) P-C4' energy: -21.079
flat angles C4'-P-C4' energy: -23.681
flat angles P-C4'-P energy: -12.553
tors. eta vs tors. theta energy: -13.901
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: 6
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -230.238985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.238985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.902483 (E_RNA)
where:
Base-Base interactions energy: -142.808
where: short stacking energy: -78.838
Base-Backbone interact. energy: -0.064
local terms energy: -88.030693
where:
bonds (distance) C4'-P energy: -23.238
bonds (distance) P-C4' energy: -20.438
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -16.252
Dist. restrs. and SS energy: 0.663 (S_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: 12
Temperature: 1.250000
Total energy: -223.885048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.885048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.991857 (E_RNA)
where:
Base-Base interactions energy: -144.458
where: short stacking energy: -80.041
Base-Backbone interact. energy: 0.367
local terms energy: -79.900869
where:
bonds (distance) C4'-P energy: -19.215
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -18.244
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -17.423
Dist. restrs. and SS energy: 0.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -217.075251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.075251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.228765 (E_RNA)
where:
Base-Base interactions energy: -126.195
where: short stacking energy: -57.357
Base-Backbone interact. energy: 0.354
local terms energy: -91.388325
where:
bonds (distance) C4'-P energy: -25.875
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -25.106
flat angles P-C4'-P energy: -13.196
tors. eta vs tors. theta energy: -11.595
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: 10, replica: 7
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -193.353631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.353631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.374461 (E_RNA)
where:
Base-Base interactions energy: -121.871
where: short stacking energy: -52.149
Base-Backbone interact. energy: -0.434
local terms energy: -71.069055
where:
bonds (distance) C4'-P energy: -17.240
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -9.599
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: 13
Temperature: 0.900000
Total energy: -310.077635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.077635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.077635 (E_RNA)
where:
Base-Base interactions energy: -185.940
where: short stacking energy: -108.374
Base-Backbone interact. energy: -0.132
local terms energy: -124.005431
where:
bonds (distance) C4'-P energy: -25.051
bonds (distance) P-C4' energy: -25.776
flat angles C4'-P-C4' energy: -25.176
flat angles P-C4'-P energy: -15.489
tors. eta vs tors. theta energy: -32.514
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -293.990677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.990677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.067179 (E_RNA)
where:
Base-Base interactions energy: -183.285
where: short stacking energy: -109.922
Base-Backbone interact. energy: -0.043
local terms energy: -110.739399
where:
bonds (distance) C4'-P energy: -18.141
bonds (distance) P-C4' energy: -20.216
flat angles C4'-P-C4' energy: -21.309
flat angles P-C4'-P energy: -17.177
tors. eta vs tors. theta energy: -33.895
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: 2
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -279.676992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.676992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.084077 (E_RNA)
where:
Base-Base interactions energy: -167.443
where: short stacking energy: -91.001
Base-Backbone interact. energy: -0.147
local terms energy: -112.493582
where:
bonds (distance) C4'-P energy: -20.014
bonds (distance) P-C4' energy: -20.589
flat angles C4'-P-C4' energy: -26.080
flat angles P-C4'-P energy: -19.066
tors. eta vs tors. theta energy: -26.745
Dist. restrs. and SS energy: 0.407 (S_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: 13
Temperature: 1.050000
Total energy: -247.888811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.888811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.973429 (E_RNA)
where:
Base-Base interactions energy: -148.514
where: short stacking energy: -83.601
Base-Backbone interact. energy: -0.164
local terms energy: -99.294677
where:
bonds (distance) C4'-P energy: -18.095
bonds (distance) P-C4' energy: -21.954
flat angles C4'-P-C4' energy: -23.644
flat angles P-C4'-P energy: -12.802
tors. eta vs tors. theta energy: -22.801
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: 5, replica: 10
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -243.105190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.105190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.515278 (E_RNA)
where:
Base-Base interactions energy: -153.366
where: short stacking energy: -88.050
Base-Backbone interact. energy: -0.703
local terms energy: -90.446216
where:
bonds (distance) C4'-P energy: -14.536
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -24.906
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -25.804
Dist. restrs. and SS energy: 1.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -227.327978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.327978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.578715 (E_RNA)
where:
Base-Base interactions energy: -134.181
where: short stacking energy: -65.085
Base-Backbone interact. energy: -0.211
local terms energy: -93.187434
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -23.133
flat angles C4'-P-C4' energy: -20.892
flat angles P-C4'-P energy: -17.110
tors. eta vs tors. theta energy: -17.662
Dist. restrs. and SS energy: 0.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -222.159227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.159227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.290954 (E_RNA)
where:
Base-Base interactions energy: -131.641
where: short stacking energy: -70.209
Base-Backbone interact. energy: -0.039
local terms energy: -90.611616
where:
bonds (distance) C4'-P energy: -23.714
bonds (distance) P-C4' energy: -21.539
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -12.810
tors. eta vs tors. theta energy: -15.189
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: 13
Temperature: 1.250000
Total energy: -224.357932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.357932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.609391 (E_RNA)
where:
Base-Base interactions energy: -135.470
where: short stacking energy: -70.794
Base-Backbone interact. energy: -0.523
local terms energy: -88.616760
where:
bonds (distance) C4'-P energy: -17.259
bonds (distance) P-C4' energy: -20.548
flat angles C4'-P-C4' energy: -22.026
flat angles P-C4'-P energy: -13.697
tors. eta vs tors. theta energy: -15.087
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: 9, replica: 5
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -225.311760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.311760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.461327 (E_RNA)
where:
Base-Base interactions energy: -143.231
where: short stacking energy: -74.360
Base-Backbone interact. energy: -0.157
local terms energy: -82.074094
where:
bonds (distance) C4'-P energy: -19.421
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -19.616
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: -19.135
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: 10, replica: 7
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -197.955079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.955079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.989501 (E_RNA)
where:
Base-Base interactions energy: -125.415
where: short stacking energy: -54.620
Base-Backbone interact. energy: -0.201
local terms energy: -72.374139
where:
bonds (distance) C4'-P energy: -22.040
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -9.367
tors. eta vs tors. theta energy: -8.995
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -318.647867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.647867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.668075 (E_RNA)
where:
Base-Base interactions energy: -190.238
where: short stacking energy: -114.306
Base-Backbone interact. energy: 0.853
local terms energy: -129.283334
where:
bonds (distance) C4'-P energy: -26.444
bonds (distance) P-C4' energy: -22.538
flat angles C4'-P-C4' energy: -25.739
flat angles P-C4'-P energy: -18.426
tors. eta vs tors. theta energy: -36.137
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: 14
Temperature: 0.950000
Total energy: -284.762274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.762274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.773694 (E_RNA)
where:
Base-Base interactions energy: -170.421
where: short stacking energy: -97.305
Base-Backbone interact. energy: -0.044
local terms energy: -114.308161
where:
bonds (distance) C4'-P energy: -21.772
bonds (distance) P-C4' energy: -23.639
flat angles C4'-P-C4' energy: -26.747
flat angles P-C4'-P energy: -14.325
tors. eta vs tors. theta energy: -27.825
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: 2
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -273.867547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.867547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.174868 (E_RNA)
where:
Base-Base interactions energy: -173.123
where: short stacking energy: -90.216
Base-Backbone interact. energy: -0.709
local terms energy: -102.342382
where:
bonds (distance) C4'-P energy: -20.312
bonds (distance) P-C4' energy: -19.160
flat angles C4'-P-C4' energy: -22.387
flat angles P-C4'-P energy: -15.203
tors. eta vs tors. theta energy: -25.281
Dist. restrs. and SS energy: 2.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -254.731971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.731971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.409736 (E_RNA)
where:
Base-Base interactions energy: -151.687
where: short stacking energy: -70.828
Base-Backbone interact. energy: -0.545
local terms energy: -103.177578
where:
bonds (distance) C4'-P energy: -24.153
bonds (distance) P-C4' energy: -24.209
flat angles C4'-P-C4' energy: -19.904
flat angles P-C4'-P energy: -13.807
tors. eta vs tors. theta energy: -21.104
Dist. restrs. and SS energy: 0.678 (S_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: 14
Temperature: 1.100000
Total energy: -269.209596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.209596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.790048 (E_RNA)
where:
Base-Base interactions energy: -158.683
where: short stacking energy: -81.752
Base-Backbone interact. energy: -0.004
local terms energy: -112.102542
where:
bonds (distance) C4'-P energy: -24.559
bonds (distance) P-C4' energy: -22.901
flat angles C4'-P-C4' energy: -19.158
flat angles P-C4'-P energy: -21.946
tors. eta vs tors. theta energy: -23.538
Dist. restrs. and SS energy: 1.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -226.271762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.271762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.316004 (E_RNA)
where:
Base-Base interactions energy: -135.384
where: short stacking energy: -69.952
Base-Backbone interact. energy: -0.158
local terms energy: -90.773505
where:
bonds (distance) C4'-P energy: -20.865
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -22.195
flat angles P-C4'-P energy: -11.898
tors. eta vs tors. theta energy: -19.878
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: 6
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -242.852255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.852255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.297694 (E_RNA)
where:
Base-Base interactions energy: -158.991
where: short stacking energy: -80.458
Base-Backbone interact. energy: -0.147
local terms energy: -85.159762
where:
bonds (distance) C4'-P energy: -18.490
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -13.415
tors. eta vs tors. theta energy: -24.806
Dist. restrs. and SS energy: 1.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -221.798039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.798039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.823397 (E_RNA)
where:
Base-Base interactions energy: -136.213
where: short stacking energy: -69.703
Base-Backbone interact. energy: -0.109
local terms energy: -85.501109
where:
bonds (distance) C4'-P energy: -21.391
bonds (distance) P-C4' energy: -17.823
flat angles C4'-P-C4' energy: -20.503
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -15.655
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: 9, replica: 7
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -234.117506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.117506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.385188 (E_RNA)
where:
Base-Base interactions energy: -132.629
where: short stacking energy: -58.017
Base-Backbone interact. energy: -1.141
local terms energy: -100.614817
where:
bonds (distance) C4'-P energy: -20.344
bonds (distance) P-C4' energy: -22.107
flat angles C4'-P-C4' energy: -25.133
flat angles P-C4'-P energy: -14.972
tors. eta vs tors. theta energy: -18.058
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: 10, replica: 5
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -214.606511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.606511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.896938 (E_RNA)
where:
Base-Base interactions energy: -127.601
where: short stacking energy: -68.244
Base-Backbone interact. energy: -0.790
local terms energy: -86.506343
where:
bonds (distance) C4'-P energy: -12.883
bonds (distance) P-C4' energy: -21.844
flat angles C4'-P-C4' energy: -20.861
flat angles P-C4'-P energy: -15.305
tors. eta vs tors. theta energy: -15.613
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: 1, replica: 1
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -317.234550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.234550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.296990 (E_RNA)
where:
Base-Base interactions energy: -187.419
where: short stacking energy: -122.814
Base-Backbone interact. energy: -0.933
local terms energy: -128.944915
where:
bonds (distance) C4'-P energy: -24.473
bonds (distance) P-C4' energy: -25.716
flat angles C4'-P-C4' energy: -26.946
flat angles P-C4'-P energy: -14.563
tors. eta vs tors. theta energy: -37.247
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: 9
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -290.172928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.172928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.269925 (E_RNA)
where:
Base-Base interactions energy: -180.399
where: short stacking energy: -103.540
Base-Backbone interact. energy: -0.879
local terms energy: -108.991998
where:
bonds (distance) C4'-P energy: -19.871
bonds (distance) P-C4' energy: -18.983
flat angles C4'-P-C4' energy: -20.893
flat angles P-C4'-P energy: -17.906
tors. eta vs tors. theta energy: -31.339
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -267.321046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.321046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.253623 (E_RNA)
where:
Base-Base interactions energy: -171.584
where: short stacking energy: -78.313
Base-Backbone interact. energy: -0.002
local terms energy: -97.667623
where:
bonds (distance) C4'-P energy: -18.436
bonds (distance) P-C4' energy: -25.262
flat angles C4'-P-C4' energy: -24.901
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -18.767
Dist. restrs. and SS energy: 1.933 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -258.601318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.601318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.895450 (E_RNA)
where:
Base-Base interactions energy: -159.351
where: short stacking energy: -87.019
Base-Backbone interact. energy: -0.379
local terms energy: -99.165447
where:
bonds (distance) C4'-P energy: -23.185
bonds (distance) P-C4' energy: -21.218
flat angles C4'-P-C4' energy: -19.819
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -24.552
Dist. restrs. and SS energy: 0.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -243.854849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.854849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.926614 (E_RNA)
where:
Base-Base interactions energy: -147.125
where: short stacking energy: -79.050
Base-Backbone interact. energy: -0.106
local terms energy: -96.695775
where:
bonds (distance) C4'-P energy: -23.853
bonds (distance) P-C4' energy: -28.007
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -15.952
tors. eta vs tors. theta energy: -12.985
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: 6
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -251.756928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.756928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.766533 (E_RNA)
where:
Base-Base interactions energy: -155.089
where: short stacking energy: -87.681
Base-Backbone interact. energy: -0.007
local terms energy: -96.671017
where:
bonds (distance) C4'-P energy: -16.000
bonds (distance) P-C4' energy: -20.674
flat angles C4'-P-C4' energy: -21.005
flat angles P-C4'-P energy: -16.809
tors. eta vs tors. theta energy: -22.182
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: 15
Temperature: 1.200000
Total energy: -209.738333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.738333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.150948 (E_RNA)
where:
Base-Base interactions energy: -117.971
where: short stacking energy: -58.857
Base-Backbone interact. energy: -0.874
local terms energy: -91.305438
where:
bonds (distance) C4'-P energy: -17.015
bonds (distance) P-C4' energy: -25.330
flat angles C4'-P-C4' energy: -19.611
flat angles P-C4'-P energy: -14.581
tors. eta vs tors. theta energy: -14.769
Dist. restrs. and SS energy: 0.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -220.827353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.827353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.782050 (E_RNA)
where:
Base-Base interactions energy: -134.279
where: short stacking energy: -58.397
Base-Backbone interact. energy: -0.191
local terms energy: -88.311257
where:
bonds (distance) C4'-P energy: -21.048
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -19.963
flat angles P-C4'-P energy: -14.281
tors. eta vs tors. theta energy: -15.372
Dist. restrs. and SS energy: 1.955 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -205.303954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.303954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.840473 (E_RNA)
where:
Base-Base interactions energy: -130.061
where: short stacking energy: -60.549
Base-Backbone interact. energy: -0.990
local terms energy: -75.790261
where:
bonds (distance) C4'-P energy: -11.592
bonds (distance) P-C4' energy: -16.273
flat angles C4'-P-C4' energy: -20.741
flat angles P-C4'-P energy: -15.176
tors. eta vs tors. theta energy: -12.009
Dist. restrs. and SS energy: 1.537 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -195.562186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.562186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.728184 (E_RNA)
where:
Base-Base interactions energy: -118.588
where: short stacking energy: -63.462
Base-Backbone interact. energy: -0.201
local terms energy: -76.939212
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -22.200
flat angles C4'-P-C4' energy: -11.207
flat angles P-C4'-P energy: -14.822
tors. eta vs tors. theta energy: -11.950
Dist. restrs. and SS energy: 0.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -295.987851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.987851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.364955 (E_RNA)
where:
Base-Base interactions energy: -183.307
where: short stacking energy: -96.934
Base-Backbone interact. energy: 0.277
local terms energy: -113.335003
where:
bonds (distance) C4'-P energy: -21.516
bonds (distance) P-C4' energy: -21.811
flat angles C4'-P-C4' energy: -21.657
flat angles P-C4'-P energy: -16.821
tors. eta vs tors. theta energy: -31.529
Dist. restrs. and SS energy: 0.377 (S_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: 16
Temperature: 0.950000
Total energy: -290.640186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.640186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.768819 (E_RNA)
where:
Base-Base interactions energy: -179.349
where: short stacking energy: -96.471
Base-Backbone interact. energy: -0.102
local terms energy: -111.317716
where:
bonds (distance) C4'-P energy: -20.989
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -24.683
flat angles P-C4'-P energy: -19.723
tors. eta vs tors. theta energy: -28.561
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: 10
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -274.514007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.514007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.514007 (E_RNA)
where:
Base-Base interactions energy: -164.245
where: short stacking energy: -98.892
Base-Backbone interact. energy: -0.002
local terms energy: -110.267470
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -22.676
flat angles C4'-P-C4' energy: -24.720
flat angles P-C4'-P energy: -17.409
tors. eta vs tors. theta energy: -28.427
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -254.572112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.572112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.269815 (E_RNA)
where:
Base-Base interactions energy: -161.374
where: short stacking energy: -86.280
Base-Backbone interact. energy: -0.055
local terms energy: -94.840417
where:
bonds (distance) C4'-P energy: -18.471
bonds (distance) P-C4' energy: -18.848
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -18.624
tors. eta vs tors. theta energy: -23.465
Dist. restrs. and SS energy: 1.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -263.204500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.204500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.204500 (E_RNA)
where:
Base-Base interactions energy: -159.230
where: short stacking energy: -94.801
Base-Backbone interact. energy: 0.903
local terms energy: -104.877214
where:
bonds (distance) C4'-P energy: -19.161
bonds (distance) P-C4' energy: -20.291
flat angles C4'-P-C4' energy: -26.701
flat angles P-C4'-P energy: -15.382
tors. eta vs tors. theta energy: -23.342
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: 4
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -226.367947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.367947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.437607 (E_RNA)
where:
Base-Base interactions energy: -132.071
where: short stacking energy: -67.550
Base-Backbone interact. energy: -0.599
local terms energy: -93.767593
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -19.865
flat angles C4'-P-C4' energy: -21.597
flat angles P-C4'-P energy: -18.987
tors. eta vs tors. theta energy: -17.888
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: 16
Temperature: 1.200000
Total energy: -228.988854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.988854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.090460 (E_RNA)
where:
Base-Base interactions energy: -144.775
where: short stacking energy: -78.483
Base-Backbone interact. energy: -0.310
local terms energy: -84.005753
where:
bonds (distance) C4'-P energy: -21.148
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -19.711
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -218.093035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.093035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.118630 (E_RNA)
where:
Base-Base interactions energy: -133.895
where: short stacking energy: -68.329
Base-Backbone interact. energy: -0.530
local terms energy: -83.693605
where:
bonds (distance) C4'-P energy: -18.573
bonds (distance) P-C4' energy: -20.204
flat angles C4'-P-C4' energy: -19.354
flat angles P-C4'-P energy: -9.947
tors. eta vs tors. theta energy: -15.615
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: 8
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -235.586316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.586316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.844783 (E_RNA)
where:
Base-Base interactions energy: -151.303
where: short stacking energy: -74.842
Base-Backbone interact. energy: -0.104
local terms energy: -86.438219
where:
bonds (distance) C4'-P energy: -19.478
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -14.810
tors. eta vs tors. theta energy: -20.768
Dist. restrs. and SS energy: 2.258 (S_DIST_RNA)
chem. 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: -203.430034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.430034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.801421 (E_RNA)
where:
Base-Base interactions energy: -126.349
where: short stacking energy: -61.707
Base-Backbone interact. energy: -0.225
local terms energy: -77.227373
where:
bonds (distance) C4'-P energy: -14.109
bonds (distance) P-C4' energy: -21.586
flat angles C4'-P-C4' energy: -17.391
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -12.306
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: 1, replica: 1
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -296.844347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.844347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.876456 (E_RNA)
where:
Base-Base interactions energy: -186.972
where: short stacking energy: -110.858
Base-Backbone interact. energy: -0.019
local terms energy: -109.885098
where:
bonds (distance) C4'-P energy: -23.516
bonds (distance) P-C4' energy: -21.759
flat angles C4'-P-C4' energy: -22.348
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -30.172
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -286.202334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.202334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.249440 (E_RNA)
where:
Base-Base interactions energy: -169.505
where: short stacking energy: -100.812
Base-Backbone interact. energy: -0.069
local terms energy: -116.675920
where:
bonds (distance) C4'-P energy: -23.097
bonds (distance) P-C4' energy: -22.227
flat angles C4'-P-C4' energy: -24.200
flat angles P-C4'-P energy: -16.594
tors. eta vs tors. theta energy: -30.557
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: 17
Temperature: 1.000000
Total energy: -284.536492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.536492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.564897 (E_RNA)
where:
Base-Base interactions energy: -174.212
where: short stacking energy: -100.682
Base-Backbone interact. energy: 0.843
local terms energy: -111.196537
where:
bonds (distance) C4'-P energy: -20.264
bonds (distance) P-C4' energy: -21.665
flat angles C4'-P-C4' energy: -24.028
flat angles P-C4'-P energy: -15.928
tors. eta vs tors. theta energy: -29.311
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: 6
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -273.300316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.300316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.391258 (E_RNA)
where:
Base-Base interactions energy: -165.766
where: short stacking energy: -97.946
Base-Backbone interact. energy: -0.002
local terms energy: -107.623027
where:
bonds (distance) C4'-P energy: -16.183
bonds (distance) P-C4' energy: -24.936
flat angles C4'-P-C4' energy: -23.016
flat angles P-C4'-P energy: -16.636
tors. eta vs tors. theta energy: -26.852
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: 2
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -252.157466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.157466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.464237 (E_RNA)
where:
Base-Base interactions energy: -154.668
where: short stacking energy: -82.062
Base-Backbone interact. energy: -0.016
local terms energy: -97.779811
where:
bonds (distance) C4'-P energy: -22.161
bonds (distance) P-C4' energy: -21.176
flat angles C4'-P-C4' energy: -20.718
flat angles P-C4'-P energy: -13.024
tors. eta vs tors. theta energy: -20.701
Dist. restrs. and SS energy: 0.307 (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: 4
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -230.331193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.331193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.464108 (E_RNA)
where:
Base-Base interactions energy: -133.370
where: short stacking energy: -74.047
Base-Backbone interact. energy: -0.338
local terms energy: -96.756108
where:
bonds (distance) C4'-P energy: -21.478
bonds (distance) P-C4' energy: -25.924
flat angles C4'-P-C4' energy: -17.400
flat angles P-C4'-P energy: -16.347
tors. eta vs tors. theta energy: -15.608
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: 7, replica: 7
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -231.171559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.171559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.209617 (E_RNA)
where:
Base-Base interactions energy: -153.689
where: short stacking energy: -77.006
Base-Backbone interact. energy: -0.109
local terms energy: -77.411545
where:
bonds (distance) C4'-P energy: -15.173
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -21.998
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -16.598
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: 8, replica: 8
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -222.262123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.262123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.394725 (E_RNA)
where:
Base-Base interactions energy: -136.689
where: short stacking energy: -69.130
Base-Backbone interact. energy: -1.015
local terms energy: -84.690894
where:
bonds (distance) C4'-P energy: -18.748
bonds (distance) P-C4' energy: -18.497
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -16.236
tors. eta vs tors. theta energy: -14.612
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: 3
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -201.678215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.678215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.708091 (E_RNA)
where:
Base-Base interactions energy: -116.664
where: short stacking energy: -54.722
Base-Backbone interact. energy: -0.291
local terms energy: -84.752935
where:
bonds (distance) C4'-P energy: -22.439
bonds (distance) P-C4' energy: -21.568
flat angles C4'-P-C4' energy: -19.064
flat angles P-C4'-P energy: -8.383
tors. eta vs tors. theta energy: -13.299
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: 5
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -184.284690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.284690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.310514 (E_RNA)
where:
Base-Base interactions energy: -115.373
where: short stacking energy: -50.071
Base-Backbone interact. energy: -0.321
local terms energy: -68.616743
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -18.059
flat angles C4'-P-C4' energy: -18.306
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -4.665
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -309.699453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.699453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.839934 (E_RNA)
where:
Base-Base interactions energy: -188.906
where: short stacking energy: -113.012
Base-Backbone interact. energy: -0.160
local terms energy: -120.773966
where:
bonds (distance) C4'-P energy: -24.475
bonds (distance) P-C4' energy: -22.803
flat angles C4'-P-C4' energy: -24.717
flat angles P-C4'-P energy: -15.871
tors. eta vs tors. theta energy: -32.908
Dist. restrs. and SS energy: 0.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -295.122301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.122301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.986122 (E_RNA)
where:
Base-Base interactions energy: -184.273
where: short stacking energy: -107.332
Base-Backbone interact. energy: -0.015
local terms energy: -111.698016
where:
bonds (distance) C4'-P energy: -22.129
bonds (distance) P-C4' energy: -19.324
flat angles C4'-P-C4' energy: -23.269
flat angles P-C4'-P energy: -15.026
tors. eta vs tors. theta energy: -31.951
Dist. restrs. and SS energy: 0.864 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -271.325330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.325330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.250816 (E_RNA)
where:
Base-Base interactions energy: -176.018
where: short stacking energy: -91.925
Base-Backbone interact. energy: -0.200
local terms energy: -97.033651
where:
bonds (distance) C4'-P energy: -18.203
bonds (distance) P-C4' energy: -21.048
flat angles C4'-P-C4' energy: -22.073
flat angles P-C4'-P energy: -15.762
tors. eta vs tors. theta energy: -19.948
Dist. restrs. and SS energy: 1.925 (S_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: -254.345387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.345387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.358311 (E_RNA)
where:
Base-Base interactions energy: -161.165
where: short stacking energy: -89.665
Base-Backbone interact. energy: 0.288
local terms energy: -93.481310
where:
bonds (distance) C4'-P energy: -20.462
bonds (distance) P-C4' energy: -18.889
flat angles C4'-P-C4' energy: -21.481
flat angles P-C4'-P energy: -12.848
tors. eta vs tors. theta energy: -19.802
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: 4
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -227.287462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.287462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.330106 (E_RNA)
where:
Base-Base interactions energy: -140.988
where: short stacking energy: -73.692
Base-Backbone interact. energy: -0.001
local terms energy: -86.341224
where:
bonds (distance) C4'-P energy: -21.440
bonds (distance) P-C4' energy: -24.938
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -6.513
tors. eta vs tors. theta energy: -17.482
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: 2
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -248.202486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.202486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.294782 (E_RNA)
where:
Base-Base interactions energy: -147.392
where: short stacking energy: -81.364
Base-Backbone interact. energy: -0.004
local terms energy: -100.898536
where:
bonds (distance) C4'-P energy: -22.920
bonds (distance) P-C4' energy: -23.521
flat angles C4'-P-C4' energy: -17.847
flat angles P-C4'-P energy: -16.751
tors. eta vs tors. theta energy: -19.860
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: 7
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -234.643021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.643021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.682242 (E_RNA)
where:
Base-Base interactions energy: -145.867
where: short stacking energy: -75.495
Base-Backbone interact. energy: -0.087
local terms energy: -88.727919
where:
bonds (distance) C4'-P energy: -19.275
bonds (distance) P-C4' energy: -19.635
flat angles C4'-P-C4' energy: -20.250
flat angles P-C4'-P energy: -16.673
tors. eta vs tors. theta energy: -12.895
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: 18
Temperature: 1.250000
Total energy: -242.499889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.499889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.836611 (E_RNA)
where:
Base-Base interactions energy: -156.351
where: short stacking energy: -90.369
Base-Backbone interact. energy: -0.177
local terms energy: -86.308307
where:
bonds (distance) C4'-P energy: -12.785
bonds (distance) P-C4' energy: -14.344
flat angles C4'-P-C4' energy: -26.641
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -18.685
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: 9, replica: 5
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -201.507198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.507198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.635456 (E_RNA)
where:
Base-Base interactions energy: -123.110
where: short stacking energy: -58.925
Base-Backbone interact. energy: 0.047
local terms energy: -78.572051
where:
bonds (distance) C4'-P energy: -14.349
bonds (distance) P-C4' energy: -20.327
flat angles C4'-P-C4' energy: -24.864
flat angles P-C4'-P energy: -13.457
tors. eta vs tors. theta energy: -5.575
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: 3
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -208.061770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.061770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.177526 (E_RNA)
where:
Base-Base interactions energy: -121.914
where: short stacking energy: -57.141
Base-Backbone interact. energy: -0.124
local terms energy: -86.139155
where:
bonds (distance) C4'-P energy: -24.140
bonds (distance) P-C4' energy: -22.708
flat angles C4'-P-C4' energy: -22.107
flat angles P-C4'-P energy: -8.430
tors. eta vs tors. theta energy: -8.755
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: 1
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -300.542212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.542212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.610131 (E_RNA)
where:
Base-Base interactions energy: -181.063
where: short stacking energy: -105.449
Base-Backbone interact. energy: -0.194
local terms energy: -119.353670
where:
bonds (distance) C4'-P energy: -23.644
bonds (distance) P-C4' energy: -22.433
flat angles C4'-P-C4' energy: -27.127
flat angles P-C4'-P energy: -16.508
tors. eta vs tors. theta energy: -29.642
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: 10
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -303.999726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.999726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.932813 (E_RNA)
where:
Base-Base interactions energy: -200.182
where: short stacking energy: -111.777
Base-Backbone interact. energy: -1.096
local terms energy: -104.655299
where:
bonds (distance) C4'-P energy: -18.402
bonds (distance) P-C4' energy: -17.336
flat angles C4'-P-C4' energy: -23.773
flat angles P-C4'-P energy: -15.552
tors. eta vs tors. theta energy: -29.592
Dist. restrs. and SS energy: 1.933 (S_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: 19
Temperature: 1.000000
Total energy: -276.295147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.295147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.320399 (E_RNA)
where:
Base-Base interactions energy: -164.623
where: short stacking energy: -100.041
Base-Backbone interact. energy: -0.091
local terms energy: -111.606165
where:
bonds (distance) C4'-P energy: -20.092
bonds (distance) P-C4' energy: -22.189
flat angles C4'-P-C4' energy: -23.947
flat angles P-C4'-P energy: -17.184
tors. eta vs tors. theta energy: -28.194
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: 4
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -257.235913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.235913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.288936 (E_RNA)
where:
Base-Base interactions energy: -148.894
where: short stacking energy: -81.460
Base-Backbone interact. energy: -0.004
local terms energy: -108.390651
where:
bonds (distance) C4'-P energy: -22.923
bonds (distance) P-C4' energy: -19.883
flat angles C4'-P-C4' energy: -22.469
flat angles P-C4'-P energy: -16.564
tors. eta vs tors. theta energy: -26.551
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -235.911467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.911467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.674932 (E_RNA)
where:
Base-Base interactions energy: -134.783
where: short stacking energy: -72.932
Base-Backbone interact. energy: -0.323
local terms energy: -101.568435
where:
bonds (distance) C4'-P energy: -26.686
bonds (distance) P-C4' energy: -21.174
flat angles C4'-P-C4' energy: -23.457
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -18.408
Dist. restrs. and SS energy: 0.763 (S_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: 19
Temperature: 1.150000
Total energy: -239.202849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.202849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.338961 (E_RNA)
where:
Base-Base interactions energy: -139.950
where: short stacking energy: -68.976
Base-Backbone interact. energy: -0.346
local terms energy: -99.042784
where:
bonds (distance) C4'-P energy: -19.751
bonds (distance) P-C4' energy: -22.398
flat angles C4'-P-C4' energy: -23.192
flat angles P-C4'-P energy: -16.078
tors. eta vs tors. theta energy: -17.623
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: 7
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -231.344057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.344057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.718923 (E_RNA)
where:
Base-Base interactions energy: -143.234
where: short stacking energy: -69.827
Base-Backbone interact. energy: -0.244
local terms energy: -89.241168
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -22.969
flat angles C4'-P-C4' energy: -22.179
flat angles P-C4'-P energy: -14.416
tors. eta vs tors. theta energy: -15.746
Dist. restrs. and SS energy: 1.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -218.122839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.122839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.493113 (E_RNA)
where:
Base-Base interactions energy: -129.771
where: short stacking energy: -64.723
Base-Backbone interact. energy: -0.231
local terms energy: -88.491226
where:
bonds (distance) C4'-P energy: -18.693
bonds (distance) P-C4' energy: -25.638
flat angles C4'-P-C4' energy: -16.530
flat angles P-C4'-P energy: -17.756
tors. eta vs tors. theta energy: -9.875
Dist. restrs. and SS energy: 0.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -203.912421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.912421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.076334 (E_RNA)
where:
Base-Base interactions energy: -115.025
where: short stacking energy: -50.314
Base-Backbone interact. energy: -0.031
local terms energy: -89.020577
where:
bonds (distance) C4'-P energy: -19.641
bonds (distance) P-C4' energy: -19.990
flat angles C4'-P-C4' energy: -23.314
flat angles P-C4'-P energy: -14.733
tors. eta vs tors. theta energy: -11.343
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -207.145392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.145392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.316236 (E_RNA)
where:
Base-Base interactions energy: -133.807
where: short stacking energy: -71.213
Base-Backbone interact. energy: -0.220
local terms energy: -73.289780
where:
bonds (distance) C4'-P energy: -17.140
bonds (distance) P-C4' energy: -12.358
flat angles C4'-P-C4' energy: -19.956
flat angles P-C4'-P energy: -14.792
tors. eta vs tors. theta energy: -9.043
Dist. restrs. and SS energy: 0.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -293.487866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.487866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.507733 (E_RNA)
where:
Base-Base interactions energy: -184.034
where: short stacking energy: -108.143
Base-Backbone interact. energy: -0.063
local terms energy: -109.410158
where:
bonds (distance) C4'-P energy: -22.485
bonds (distance) P-C4' energy: -18.595
flat angles C4'-P-C4' energy: -23.135
flat angles P-C4'-P energy: -17.065
tors. eta vs tors. theta energy: -28.129
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: 20
Temperature: 0.950000
Total energy: -287.532524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.532524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.532524 (E_RNA)
where:
Base-Base interactions energy: -172.359
where: short stacking energy: -88.887
Base-Backbone interact. energy: -0.463
local terms energy: -114.710972
where:
bonds (distance) C4'-P energy: -21.868
bonds (distance) P-C4' energy: -24.995
flat angles C4'-P-C4' energy: -26.367
flat angles P-C4'-P energy: -15.672
tors. eta vs tors. theta energy: -25.809
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: 9
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -277.229682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.229682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.496203 (E_RNA)
where:
Base-Base interactions energy: -168.061
where: short stacking energy: -96.528
Base-Backbone interact. energy: -0.104
local terms energy: -109.331842
where:
bonds (distance) C4'-P energy: -19.192
bonds (distance) P-C4' energy: -22.435
flat angles C4'-P-C4' energy: -22.584
flat angles P-C4'-P energy: -15.847
tors. eta vs tors. theta energy: -29.274
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: 4
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -257.163183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.163183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.225718 (E_RNA)
where:
Base-Base interactions energy: -156.354
where: short stacking energy: -80.294
Base-Backbone interact. energy: -0.118
local terms energy: -100.753641
where:
bonds (distance) C4'-P energy: -17.442
bonds (distance) P-C4' energy: -20.194
flat angles C4'-P-C4' energy: -23.504
flat angles P-C4'-P energy: -17.521
tors. eta vs tors. theta energy: -22.093
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: 2
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -256.274842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.274842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.338241 (E_RNA)
where:
Base-Base interactions energy: -160.891
where: short stacking energy: -88.782
Base-Backbone interact. energy: -0.101
local terms energy: -95.346043
where:
bonds (distance) C4'-P energy: -17.993
bonds (distance) P-C4' energy: -23.304
flat angles C4'-P-C4' energy: -22.377
flat angles P-C4'-P energy: -10.421
tors. eta vs tors. theta energy: -21.251
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: 20
Temperature: 1.150000
Total energy: -242.314384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.314384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.440629 (E_RNA)
where:
Base-Base interactions energy: -139.966
where: short stacking energy: -78.443
Base-Backbone interact. energy: -0.059
local terms energy: -102.415684
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -22.988
flat angles C4'-P-C4' energy: -27.044
flat angles P-C4'-P energy: -19.387
tors. eta vs tors. theta energy: -20.231
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: 7
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -224.386966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.386966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.539455 (E_RNA)
where:
Base-Base interactions energy: -134.875
where: short stacking energy: -68.602
Base-Backbone interact. energy: -0.278
local terms energy: -89.386321
where:
bonds (distance) C4'-P energy: -22.568
bonds (distance) P-C4' energy: -21.320
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -13.725
tors. eta vs tors. theta energy: -18.260
Dist. restrs. and SS energy: 0.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -213.698110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.698110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.992128 (E_RNA)
where:
Base-Base interactions energy: -134.489
where: short stacking energy: -63.143
Base-Backbone interact. energy: 2.101
local terms energy: -81.604488
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -22.859
flat angles C4'-P-C4' energy: -20.460
flat angles P-C4'-P energy: -12.731
tors. eta vs tors. theta energy: -10.543
Dist. restrs. and SS energy: 0.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -192.296249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.296249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.304895 (E_RNA)
where:
Base-Base interactions energy: -113.627
where: short stacking energy: -49.990
Base-Backbone interact. energy: -0.372
local terms energy: -78.305657
where:
bonds (distance) C4'-P energy: -16.921
bonds (distance) P-C4' energy: -18.525
flat angles C4'-P-C4' energy: -23.180
flat angles P-C4'-P energy: -13.802
tors. eta vs tors. theta energy: -5.877
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -195.721101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.721101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.778413 (E_RNA)
where:
Base-Base interactions energy: -112.844
where: short stacking energy: -54.322
Base-Backbone interact. energy: -0.174
local terms energy: -82.760018
where:
bonds (distance) C4'-P energy: -18.914
bonds (distance) P-C4' energy: -19.451
flat angles C4'-P-C4' energy: -18.944
flat angles P-C4'-P energy: -15.108
tors. eta vs tors. theta energy: -10.344
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: 1
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -299.244105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.244105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.244105 (E_RNA)
where:
Base-Base interactions energy: -179.397
where: short stacking energy: -110.516
Base-Backbone interact. energy: -0.063
local terms energy: -119.784540
where:
bonds (distance) C4'-P energy: -22.001
bonds (distance) P-C4' energy: -26.621
flat angles C4'-P-C4' energy: -22.953
flat angles P-C4'-P energy: -15.411
tors. eta vs tors. theta energy: -32.799
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -293.727843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.727843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.755144 (E_RNA)
where:
Base-Base interactions energy: -176.427
where: short stacking energy: -102.565
Base-Backbone interact. energy: 1.401
local terms energy: -118.729214
where:
bonds (distance) C4'-P energy: -21.347
bonds (distance) P-C4' energy: -25.643
flat angles C4'-P-C4' energy: -25.973
flat angles P-C4'-P energy: -17.516
tors. eta vs tors. theta energy: -28.251
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: 21
Temperature: 1.000000
Total energy: -283.762599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.762599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.762599 (E_RNA)
where:
Base-Base interactions energy: -183.221
where: short stacking energy: -98.919
Base-Backbone interact. energy: -0.006
local terms energy: -100.535427
where:
bonds (distance) C4'-P energy: -19.402
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -18.354
flat angles P-C4'-P energy: -17.875
tors. eta vs tors. theta energy: -26.547
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -257.701240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.701240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.778831 (E_RNA)
where:
Base-Base interactions energy: -158.048
where: short stacking energy: -85.497
Base-Backbone interact. energy: -0.390
local terms energy: -99.340742
where:
bonds (distance) C4'-P energy: -20.306
bonds (distance) P-C4' energy: -22.032
flat angles C4'-P-C4' energy: -21.243
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -23.064
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: 4
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -248.962740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.962740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.117470 (E_RNA)
where:
Base-Base interactions energy: -154.311
where: short stacking energy: -84.616
Base-Backbone interact. energy: -0.067
local terms energy: -94.739357
where:
bonds (distance) C4'-P energy: -19.711
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -22.877
flat angles P-C4'-P energy: -11.223
tors. eta vs tors. theta energy: -24.102
Dist. restrs. and SS energy: 0.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -241.677924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.677924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.697022 (E_RNA)
where:
Base-Base interactions energy: -155.494
where: short stacking energy: -91.194
Base-Backbone interact. energy: -0.044
local terms energy: -86.159424
where:
bonds (distance) C4'-P energy: -20.889
bonds (distance) P-C4' energy: -16.257
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -13.183
tors. eta vs tors. theta energy: -19.578
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: 7
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -229.472725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.472725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.472725 (E_RNA)
where:
Base-Base interactions energy: -139.984
where: short stacking energy: -70.394
Base-Backbone interact. energy: -0.187
local terms energy: -89.301764
where:
bonds (distance) C4'-P energy: -17.172
bonds (distance) P-C4' energy: -18.472
flat angles C4'-P-C4' energy: -20.826
flat angles P-C4'-P energy: -14.950
tors. eta vs tors. theta energy: -17.882
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -229.612237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.612237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.765788 (E_RNA)
where:
Base-Base interactions energy: -138.375
where: short stacking energy: -70.003
Base-Backbone interact. energy: -0.066
local terms energy: -91.324819
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -26.665
flat angles C4'-P-C4' energy: -19.611
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -17.899
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: 3
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -200.596118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.596118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.117382 (E_RNA)
where:
Base-Base interactions energy: -139.901
where: short stacking energy: -64.899
Base-Backbone interact. energy: -0.562
local terms energy: -61.654271
where:
bonds (distance) C4'-P energy: -13.781
bonds (distance) P-C4' energy: -20.717
flat angles C4'-P-C4' energy: -3.586
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -13.468
Dist. restrs. and SS energy: 1.521 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -213.299987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.299987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.459332 (E_RNA)
where:
Base-Base interactions energy: -126.681
where: short stacking energy: -71.814
Base-Backbone interact. energy: -0.658
local terms energy: -86.120325
where:
bonds (distance) C4'-P energy: -18.747
bonds (distance) P-C4' energy: -20.889
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -13.339
tors. eta vs tors. theta energy: -17.878
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: 1
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -312.755950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.755950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.755950 (E_RNA)
where:
Base-Base interactions energy: -191.406
where: short stacking energy: -116.855
Base-Backbone interact. energy: -0.068
local terms energy: -121.281896
where:
bonds (distance) C4'-P energy: -21.214
bonds (distance) P-C4' energy: -23.250
flat angles C4'-P-C4' energy: -26.440
flat angles P-C4'-P energy: -18.479
tors. eta vs tors. theta energy: -31.899
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -281.849610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.849610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.089305 (E_RNA)
where:
Base-Base interactions energy: -174.097
where: short stacking energy: -100.401
Base-Backbone interact. energy: -0.037
local terms energy: -107.955927
where:
bonds (distance) C4'-P energy: -22.517
bonds (distance) P-C4' energy: -19.779
flat angles C4'-P-C4' energy: -25.070
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -29.895
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: 3, replica: 10
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -272.601530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.601530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.623035 (E_RNA)
where:
Base-Base interactions energy: -166.857
where: short stacking energy: -102.215
Base-Backbone interact. energy: -0.045
local terms energy: -105.721130
where:
bonds (distance) C4'-P energy: -19.022
bonds (distance) P-C4' energy: -21.721
flat angles C4'-P-C4' energy: -25.164
flat angles P-C4'-P energy: -12.265
tors. eta vs tors. theta energy: -27.550
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: 2
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -290.010477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.010477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.054155 (E_RNA)
where:
Base-Base interactions energy: -181.168
where: short stacking energy: -106.746
Base-Backbone interact. energy: -0.244
local terms energy: -108.642459
where:
bonds (distance) C4'-P energy: -20.684
bonds (distance) P-C4' energy: -20.235
flat angles C4'-P-C4' energy: -23.202
flat angles P-C4'-P energy: -15.769
tors. eta vs tors. theta energy: -28.753
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: 22
Temperature: 1.100000
Total energy: -220.361437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.361437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.361437 (E_RNA)
where:
Base-Base interactions energy: -129.062
where: short stacking energy: -63.386
Base-Backbone interact. energy: -0.298
local terms energy: -91.001180
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -20.449
flat angles C4'-P-C4' energy: -26.291
flat angles P-C4'-P energy: -17.506
tors. eta vs tors. theta energy: -13.928
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -237.940446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.940446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.940446 (E_RNA)
where:
Base-Base interactions energy: -145.131
where: short stacking energy: -69.126
Base-Backbone interact. energy: -0.279
local terms energy: -92.529886
where:
bonds (distance) C4'-P energy: -17.384
bonds (distance) P-C4' energy: -21.555
flat angles C4'-P-C4' energy: -23.369
flat angles P-C4'-P energy: -16.960
tors. eta vs tors. theta energy: -13.262
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -226.424077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.424077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.459803 (E_RNA)
where:
Base-Base interactions energy: -133.571
where: short stacking energy: -72.918
Base-Backbone interact. energy: -0.703
local terms energy: -92.185187
where:
bonds (distance) C4'-P energy: -22.883
bonds (distance) P-C4' energy: -23.229
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -15.336
tors. eta vs tors. theta energy: -17.579
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: 22
Temperature: 1.250000
Total energy: -233.614260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.614260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.055928 (E_RNA)
where:
Base-Base interactions energy: -149.603
where: short stacking energy: -74.443
Base-Backbone interact. energy: -0.031
local terms energy: -84.422135
where:
bonds (distance) C4'-P energy: -18.322
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -17.758
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -21.840
Dist. restrs. and SS energy: 0.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -210.335798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.335798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.469703 (E_RNA)
where:
Base-Base interactions energy: -133.654
where: short stacking energy: -66.925
Base-Backbone interact. energy: -0.127
local terms energy: -76.689555
where:
bonds (distance) C4'-P energy: -17.333
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -13.325
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: 10, replica: 3
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -197.846456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.846456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.938996 (E_RNA)
where:
Base-Base interactions energy: -126.852
where: short stacking energy: -66.170
Base-Backbone interact. energy: -0.256
local terms energy: -70.830800
where:
bonds (distance) C4'-P energy: -9.364
bonds (distance) P-C4' energy: -19.393
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -13.778
tors. eta vs tors. theta energy: -11.839
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -300.832739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.832739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.834839 (E_RNA)
where:
Base-Base interactions energy: -184.997
where: short stacking energy: -117.706
Base-Backbone interact. energy: -0.010
local terms energy: -115.828299
where:
bonds (distance) C4'-P energy: -18.729
bonds (distance) P-C4' energy: -22.817
flat angles C4'-P-C4' energy: -24.749
flat angles P-C4'-P energy: -16.503
tors. eta vs tors. theta energy: -33.031
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: 23
Temperature: 0.950000
Total energy: -281.622112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.622112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.936116 (E_RNA)
where:
Base-Base interactions energy: -167.517
where: short stacking energy: -90.028
Base-Backbone interact. energy: -0.402
local terms energy: -114.016316
where:
bonds (distance) C4'-P energy: -21.570
bonds (distance) P-C4' energy: -23.624
flat angles C4'-P-C4' energy: -22.395
flat angles P-C4'-P energy: -16.577
tors. eta vs tors. theta energy: -29.850
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: 3, replica: 9
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -283.210398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.210398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.600805 (E_RNA)
where:
Base-Base interactions energy: -181.573
where: short stacking energy: -90.312
Base-Backbone interact. energy: -0.351
local terms energy: -101.676649
where:
bonds (distance) C4'-P energy: -18.748
bonds (distance) P-C4' energy: -21.142
flat angles C4'-P-C4' energy: -22.192
flat angles P-C4'-P energy: -15.315
tors. eta vs tors. theta energy: -24.279
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: 4, replica: 2
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -300.516037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.516037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.163055 (E_RNA)
where:
Base-Base interactions energy: -186.156
where: short stacking energy: -108.981
Base-Backbone interact. energy: -0.023
local terms energy: -114.984243
where:
bonds (distance) C4'-P energy: -20.881
bonds (distance) P-C4' energy: -24.902
flat angles C4'-P-C4' energy: -20.727
flat angles P-C4'-P energy: -16.603
tors. eta vs tors. theta energy: -31.871
Dist. restrs. and SS energy: 0.647 (S_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: 23
Temperature: 1.100000
Total energy: -253.838173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.838173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.911734 (E_RNA)
where:
Base-Base interactions energy: -151.733
where: short stacking energy: -83.810
Base-Backbone interact. energy: -0.050
local terms energy: -102.128791
where:
bonds (distance) C4'-P energy: -24.690
bonds (distance) P-C4' energy: -21.315
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -13.791
tors. eta vs tors. theta energy: -26.323
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: 4
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -231.471433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.471433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.672289 (E_RNA)
where:
Base-Base interactions energy: -130.447
where: short stacking energy: -70.464
Base-Backbone interact. energy: -0.123
local terms energy: -101.102268
where:
bonds (distance) C4'-P energy: -22.840
bonds (distance) P-C4' energy: -19.785
flat angles C4'-P-C4' energy: -22.357
flat angles P-C4'-P energy: -18.307
tors. eta vs tors. theta energy: -17.813
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: 8
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -227.790513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.790513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.968788 (E_RNA)
where:
Base-Base interactions energy: -140.571
where: short stacking energy: -74.063
Base-Backbone interact. energy: -0.991
local terms energy: -86.406837
where:
bonds (distance) C4'-P energy: -18.978
bonds (distance) P-C4' energy: -21.734
flat angles C4'-P-C4' energy: -20.469
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: -13.466
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: 23
Temperature: 1.250000
Total energy: -210.917768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.917768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.917768 (E_RNA)
where:
Base-Base interactions energy: -125.071
where: short stacking energy: -61.037
Base-Backbone interact. energy: -0.195
local terms energy: -85.651430
where:
bonds (distance) C4'-P energy: -19.515
bonds (distance) P-C4' energy: -19.969
flat angles C4'-P-C4' energy: -20.237
flat angles P-C4'-P energy: -14.154
tors. eta vs tors. theta energy: -11.776
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -208.585815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.585815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.624109 (E_RNA)
where:
Base-Base interactions energy: -135.367
where: short stacking energy: -67.098
Base-Backbone interact. energy: 0.072
local terms energy: -73.329214
where:
bonds (distance) C4'-P energy: -17.529
bonds (distance) P-C4' energy: -19.403
flat angles C4'-P-C4' energy: -11.087
flat angles P-C4'-P energy: -13.529
tors. eta vs tors. theta energy: -11.781
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: 3
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -200.539173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.539173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.681458 (E_RNA)
where:
Base-Base interactions energy: -125.282
where: short stacking energy: -60.439
Base-Backbone interact. energy: 0.821
local terms energy: -76.220896
where:
bonds (distance) C4'-P energy: -16.614
bonds (distance) P-C4' energy: -18.733
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -13.731
tors. eta vs tors. theta energy: -12.676
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: 1
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -302.556167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.556167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.636728 (E_RNA)
where:
Base-Base interactions energy: -184.979
where: short stacking energy: -112.761
Base-Backbone interact. energy: -0.155
local terms energy: -117.502657
where:
bonds (distance) C4'-P energy: -25.075
bonds (distance) P-C4' energy: -22.685
flat angles C4'-P-C4' energy: -22.938
flat angles P-C4'-P energy: -13.555
tors. eta vs tors. theta energy: -33.250
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: 24
Temperature: 0.950000
Total energy: -274.541938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.541938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.718935 (E_RNA)
where:
Base-Base interactions energy: -163.794
where: short stacking energy: -93.334
Base-Backbone interact. energy: -0.053
local terms energy: -111.872748
where:
bonds (distance) C4'-P energy: -22.214
bonds (distance) P-C4' energy: -22.272
flat angles C4'-P-C4' energy: -23.859
flat angles P-C4'-P energy: -16.104
tors. eta vs tors. theta energy: -27.423
Dist. restrs. and SS energy: 1.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -267.649492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.649492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.705288 (E_RNA)
where:
Base-Base interactions energy: -161.660
where: short stacking energy: -94.121
Base-Backbone interact. energy: -0.414
local terms energy: -105.631196
where:
bonds (distance) C4'-P energy: -18.257
bonds (distance) P-C4' energy: -21.302
flat angles C4'-P-C4' energy: -22.917
flat angles P-C4'-P energy: -15.867
tors. eta vs tors. theta energy: -27.288
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: 9
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -260.221410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.221410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.487207 (E_RNA)
where:
Base-Base interactions energy: -166.063
where: short stacking energy: -90.417
Base-Backbone interact. energy: -0.123
local terms energy: -94.300482
where:
bonds (distance) C4'-P energy: -19.871
bonds (distance) P-C4' energy: -23.079
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -25.088
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: 5, replica: 6
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -255.686270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.686270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.760311 (E_RNA)
where:
Base-Base interactions energy: -157.529
where: short stacking energy: -92.894
Base-Backbone interact. energy: -0.011
local terms energy: -98.220433
where:
bonds (distance) C4'-P energy: -20.585
bonds (distance) P-C4' energy: -21.531
flat angles C4'-P-C4' energy: -20.357
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -23.509
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: 6, replica: 4
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -240.761118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.761118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.836822 (E_RNA)
where:
Base-Base interactions energy: -144.682
where: short stacking energy: -70.983
Base-Backbone interact. energy: -0.151
local terms energy: -96.004029
where:
bonds (distance) C4'-P energy: -19.314
bonds (distance) P-C4' energy: -17.786
flat angles C4'-P-C4' energy: -24.112
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: -21.076
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: 7
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -216.737109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.737109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.298787 (E_RNA)
where:
Base-Base interactions energy: -139.546
where: short stacking energy: -78.309
Base-Backbone interact. energy: -0.079
local terms energy: -77.673601
where:
bonds (distance) C4'-P energy: -6.070
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -22.232
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -21.654
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: 8, replica: 8
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -225.612555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.612555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.739845 (E_RNA)
where:
Base-Base interactions energy: -137.363
where: short stacking energy: -70.195
Base-Backbone interact. energy: -0.106
local terms energy: -88.270490
where:
bonds (distance) C4'-P energy: -18.428
bonds (distance) P-C4' energy: -22.393
flat angles C4'-P-C4' energy: -20.702
flat angles P-C4'-P energy: -13.117
tors. eta vs tors. theta energy: -13.631
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: 24
Temperature: 1.300000
Total energy: -205.350141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.350141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.394382 (E_RNA)
where:
Base-Base interactions energy: -129.522
where: short stacking energy: -62.064
Base-Backbone interact. energy: -0.193
local terms energy: -75.679771
where:
bonds (distance) C4'-P energy: -15.111
bonds (distance) P-C4' energy: -16.351
flat angles C4'-P-C4' energy: -18.345
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -14.753
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -195.212811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.212811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.215954 (E_RNA)
where:
Base-Base interactions energy: -125.012
where: short stacking energy: -59.977
Base-Backbone interact. energy: -0.322
local terms energy: -69.882077
where:
bonds (distance) C4'-P energy: -16.576
bonds (distance) P-C4' energy: -21.083
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -8.746
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: 1, replica: 1
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -315.074341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.074341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.169100 (E_RNA)
where:
Base-Base interactions energy: -192.647
where: short stacking energy: -124.263
Base-Backbone interact. energy: -0.074
local terms energy: -122.448628
where:
bonds (distance) C4'-P energy: -22.862
bonds (distance) P-C4' energy: -21.383
flat angles C4'-P-C4' energy: -25.275
flat angles P-C4'-P energy: -16.172
tors. eta vs tors. theta energy: -36.758
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: 2, replica: 10
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -281.199156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.199156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.332244 (E_RNA)
where:
Base-Base interactions energy: -170.370
where: short stacking energy: -105.768
Base-Backbone interact. energy: -0.020
local terms energy: -110.942828
where:
bonds (distance) C4'-P energy: -20.596
bonds (distance) P-C4' energy: -22.019
flat angles C4'-P-C4' energy: -26.912
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -29.314
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: 3, replica: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -251.087789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.087789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.107933 (E_RNA)
where:
Base-Base interactions energy: -150.216
where: short stacking energy: -77.699
Base-Backbone interact. energy: -0.315
local terms energy: -100.576700
where:
bonds (distance) C4'-P energy: -17.731
bonds (distance) P-C4' energy: -23.268
flat angles C4'-P-C4' energy: -27.059
flat angles P-C4'-P energy: -16.894
tors. eta vs tors. theta energy: -15.626
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: 6
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -248.225592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.225592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.032037 (E_RNA)
where:
Base-Base interactions energy: -149.970
where: short stacking energy: -73.203
Base-Backbone interact. energy: -0.296
local terms energy: -99.765999
where:
bonds (distance) C4'-P energy: -22.919
bonds (distance) P-C4' energy: -21.336
flat angles C4'-P-C4' energy: -19.290
flat angles P-C4'-P energy: -17.836
tors. eta vs tors. theta energy: -18.385
Dist. restrs. and SS energy: 1.806 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -262.589191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.589191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.589191 (E_RNA)
where:
Base-Base interactions energy: -167.727
where: short stacking energy: -89.982
Base-Backbone interact. energy: -0.403
local terms energy: -94.459519
where:
bonds (distance) C4'-P energy: -21.077
bonds (distance) P-C4' energy: -18.793
flat angles C4'-P-C4' energy: -22.521
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: -25.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -228.948171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.948171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.983095 (E_RNA)
where:
Base-Base interactions energy: -140.469
where: short stacking energy: -77.615
Base-Backbone interact. energy: -0.093
local terms energy: -88.421669
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -24.377
flat angles C4'-P-C4' energy: -18.384
flat angles P-C4'-P energy: -14.477
tors. eta vs tors. theta energy: -15.991
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -222.171178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.171178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.361596 (E_RNA)
where:
Base-Base interactions energy: -131.610
where: short stacking energy: -76.357
Base-Backbone interact. energy: -0.439
local terms energy: -90.312760
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -20.415
flat angles C4'-P-C4' energy: -19.347
flat angles P-C4'-P energy: -14.214
tors. eta vs tors. theta energy: -20.307
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: 5
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -220.448812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.448812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.504174 (E_RNA)
where:
Base-Base interactions energy: -130.628
where: short stacking energy: -65.431
Base-Backbone interact. energy: -0.168
local terms energy: -89.708274
where:
bonds (distance) C4'-P energy: -17.487
bonds (distance) P-C4' energy: -21.462
flat angles C4'-P-C4' energy: -20.449
flat angles P-C4'-P energy: -11.836
tors. eta vs tors. theta energy: -18.474
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: 9, replica: 8
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -200.414289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.414289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.419485 (E_RNA)
where:
Base-Base interactions energy: -121.203
where: short stacking energy: -60.494
Base-Backbone interact. energy: -0.217
local terms energy: -78.999234
where:
bonds (distance) C4'-P energy: -23.077
bonds (distance) P-C4' energy: -16.182
flat angles C4'-P-C4' energy: -21.214
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -8.695
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: 25
Temperature: 1.350000
Total energy: -201.844662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.844662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.927069 (E_RNA)
where:
Base-Base interactions energy: -116.779
where: short stacking energy: -54.229
Base-Backbone interact. energy: 0.428
local terms energy: -85.576512
where:
bonds (distance) C4'-P energy: -17.857
bonds (distance) P-C4' energy: -23.263
flat angles C4'-P-C4' energy: -19.860
flat angles P-C4'-P energy: -13.453
tors. eta vs tors. theta energy: -11.143
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: 10
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -273.291833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.291833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.503448 (E_RNA)
where:
Base-Base interactions energy: -164.228
where: short stacking energy: -93.490
Base-Backbone interact. energy: -1.076
local terms energy: -108.200057
where:
bonds (distance) C4'-P energy: -19.636
bonds (distance) P-C4' energy: -20.998
flat angles C4'-P-C4' energy: -23.910
flat angles P-C4'-P energy: -18.051
tors. eta vs tors. theta energy: -25.604
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: 2, replica: 1
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -304.090460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.090460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.657602 (E_RNA)
where:
Base-Base interactions energy: -185.012
where: short stacking energy: -114.069
Base-Backbone interact. energy: -0.995
local terms energy: -119.650988
where:
bonds (distance) C4'-P energy: -21.494
bonds (distance) P-C4' energy: -23.567
flat angles C4'-P-C4' energy: -23.138
flat angles P-C4'-P energy: -16.764
tors. eta vs tors. theta energy: -34.688
Dist. restrs. and SS energy: 1.567 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -255.904326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.904326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.934406 (E_RNA)
where:
Base-Base interactions energy: -153.561
where: short stacking energy: -87.200
Base-Backbone interact. energy: -0.168
local terms energy: -102.205351
where:
bonds (distance) C4'-P energy: -23.904
bonds (distance) P-C4' energy: -24.056
flat angles C4'-P-C4' energy: -21.493
flat angles P-C4'-P energy: -12.290
tors. eta vs tors. theta energy: -20.461
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: 2
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -252.875691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.875691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.875691 (E_RNA)
where:
Base-Base interactions energy: -157.611
where: short stacking energy: -78.831
Base-Backbone interact. energy: -0.060
local terms energy: -95.205373
where:
bonds (distance) C4'-P energy: -22.386
bonds (distance) P-C4' energy: -23.721
flat angles C4'-P-C4' energy: -20.147
flat angles P-C4'-P energy: -12.573
tors. eta vs tors. theta energy: -16.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -246.800269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.800269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.822070 (E_RNA)
where:
Base-Base interactions energy: -152.683
where: short stacking energy: -84.508
Base-Backbone interact. energy: 1.193
local terms energy: -95.332034
where:
bonds (distance) C4'-P energy: -22.298
bonds (distance) P-C4' energy: -20.408
flat angles C4'-P-C4' energy: -20.613
flat angles P-C4'-P energy: -12.925
tors. eta vs tors. theta energy: -19.088
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: 9
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -242.456458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.456458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.497233 (E_RNA)
where:
Base-Base interactions energy: -150.656
where: short stacking energy: -78.179
Base-Backbone interact. energy: -0.338
local terms energy: -91.503348
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -19.868
flat angles C4'-P-C4' energy: -22.077
flat angles P-C4'-P energy: -15.901
tors. eta vs tors. theta energy: -21.336
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -240.621072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.621072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.672030 (E_RNA)
where:
Base-Base interactions energy: -147.358
where: short stacking energy: -83.870
Base-Backbone interact. energy: -0.070
local terms energy: -93.244367
where:
bonds (distance) C4'-P energy: -18.315
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -18.746
flat angles P-C4'-P energy: -14.626
tors. eta vs tors. theta energy: -25.211
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: 4
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -219.861055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.861055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.941141 (E_RNA)
where:
Base-Base interactions energy: -142.595
where: short stacking energy: -70.987
Base-Backbone interact. energy: -0.319
local terms energy: -77.028072
where:
bonds (distance) C4'-P energy: -7.132
bonds (distance) P-C4' energy: -20.529
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -11.173
tors. eta vs tors. theta energy: -21.252
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: 3
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -220.506303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.506303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.605851 (E_RNA)
where:
Base-Base interactions energy: -136.586
where: short stacking energy: -66.552
Base-Backbone interact. energy: -0.479
local terms energy: -83.540242
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -22.950
flat angles C4'-P-C4' energy: -18.369
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -18.061
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: 10, replica: 8
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -197.396194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.396194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.615219 (E_RNA)
where:
Base-Base interactions energy: -124.838
where: short stacking energy: -60.923
Base-Backbone interact. energy: 0.145
local terms energy: -72.921656
where:
bonds (distance) C4'-P energy: -22.083
bonds (distance) P-C4' energy: -20.584
flat angles C4'-P-C4' energy: -13.379
flat angles P-C4'-P energy: -13.892
tors. eta vs tors. theta energy: -2.984
Dist. restrs. and SS energy: 0.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -280.294582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.294582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.590498 (E_RNA)
where:
Base-Base interactions energy: -171.807
where: short stacking energy: -92.805
Base-Backbone interact. energy: -0.008
local terms energy: -108.775038
where:
bonds (distance) C4'-P energy: -20.850
bonds (distance) P-C4' energy: -20.417
flat angles C4'-P-C4' energy: -22.623
flat angles P-C4'-P energy: -15.912
tors. eta vs tors. theta energy: -28.972
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: 2, replica: 1
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -280.012103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.012103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.237522 (E_RNA)
where:
Base-Base interactions energy: -174.376
where: short stacking energy: -97.799
Base-Backbone interact. energy: 0.801
local terms energy: -108.662899
where:
bonds (distance) C4'-P energy: -21.669
bonds (distance) P-C4' energy: -16.797
flat angles C4'-P-C4' energy: -25.858
flat angles P-C4'-P energy: -15.028
tors. eta vs tors. theta energy: -29.311
Dist. restrs. and SS energy: 2.225 (S_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: 27
Temperature: 1.000000
Total energy: -269.053849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.053849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.121506 (E_RNA)
where:
Base-Base interactions energy: -162.459
where: short stacking energy: -92.310
Base-Backbone interact. energy: 0.897
local terms energy: -107.559135
where:
bonds (distance) C4'-P energy: -22.241
bonds (distance) P-C4' energy: -21.706
flat angles C4'-P-C4' energy: -20.902
flat angles P-C4'-P energy: -19.976
tors. eta vs tors. theta energy: -22.735
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -256.203198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.203198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.633959 (E_RNA)
where:
Base-Base interactions energy: -154.686
where: short stacking energy: -88.426
Base-Backbone interact. energy: -0.255
local terms energy: -102.693689
where:
bonds (distance) C4'-P energy: -18.712
bonds (distance) P-C4' energy: -23.772
flat angles C4'-P-C4' energy: -22.578
flat angles P-C4'-P energy: -17.025
tors. eta vs tors. theta energy: -20.607
Dist. restrs. and SS energy: 1.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -229.992030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.992030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.243641 (E_RNA)
where:
Base-Base interactions energy: -139.378
where: short stacking energy: -67.154
Base-Backbone interact. energy: -0.526
local terms energy: -90.339219
where:
bonds (distance) C4'-P energy: -20.360
bonds (distance) P-C4' energy: -20.300
flat angles C4'-P-C4' energy: -23.856
flat angles P-C4'-P energy: -14.939
tors. eta vs tors. theta energy: -10.884
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: 6, replica: 5
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -231.860582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.860582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.961502 (E_RNA)
where:
Base-Base interactions energy: -144.282
where: short stacking energy: -76.336
Base-Backbone interact. energy: 0.980
local terms energy: -88.659661
where:
bonds (distance) C4'-P energy: -18.031
bonds (distance) P-C4' energy: -23.841
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -14.083
tors. eta vs tors. theta energy: -16.009
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: 9
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -233.078816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.078816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.224036 (E_RNA)
where:
Base-Base interactions energy: -142.951
where: short stacking energy: -80.892
Base-Backbone interact. energy: -0.283
local terms energy: -89.990227
where:
bonds (distance) C4'-P energy: -18.193
bonds (distance) P-C4' energy: -19.101
flat angles C4'-P-C4' energy: -18.807
flat angles P-C4'-P energy: -13.455
tors. eta vs tors. theta energy: -20.434
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: 4
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -234.413755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.413755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.598400 (E_RNA)
where:
Base-Base interactions energy: -150.950
where: short stacking energy: -76.219
Base-Backbone interact. energy: -0.065
local terms energy: -83.583676
where:
bonds (distance) C4'-P energy: -18.343
bonds (distance) P-C4' energy: -23.437
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -7.703
tors. eta vs tors. theta energy: -17.395
Dist. restrs. and SS energy: 0.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -210.340974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.340974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.416500 (E_RNA)
where:
Base-Base interactions energy: -127.380
where: short stacking energy: -64.277
Base-Backbone interact. energy: -0.292
local terms energy: -82.744231
where:
bonds (distance) C4'-P energy: -11.915
bonds (distance) P-C4' energy: -24.177
flat angles C4'-P-C4' energy: -21.582
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -15.349
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: 8
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -200.810731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.810731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.840676 (E_RNA)
where:
Base-Base interactions energy: -125.208
where: short stacking energy: -62.005
Base-Backbone interact. energy: -0.709
local terms energy: -74.923560
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -20.680
flat angles C4'-P-C4' energy: -17.265
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -13.154
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: 1, replica: 1
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -302.530950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.530950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.339141 (E_RNA)
where:
Base-Base interactions energy: -195.961
where: short stacking energy: -108.272
Base-Backbone interact. energy: -0.001
local terms energy: -108.376991
where:
bonds (distance) C4'-P energy: -23.864
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -20.910
flat angles P-C4'-P energy: -14.349
tors. eta vs tors. theta energy: -32.973
Dist. restrs. and SS energy: 1.808 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -272.741325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.741325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.747466 (E_RNA)
where:
Base-Base interactions energy: -164.533
where: short stacking energy: -98.037
Base-Backbone interact. energy: -0.918
local terms energy: -107.295953
where:
bonds (distance) C4'-P energy: -23.415
bonds (distance) P-C4' energy: -22.359
flat angles C4'-P-C4' energy: -25.684
flat angles P-C4'-P energy: -13.700
tors. eta vs tors. theta energy: -22.139
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: 7
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -247.961091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.961091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.968899 (E_RNA)
where:
Base-Base interactions energy: -147.061
where: short stacking energy: -71.552
Base-Backbone interact. energy: -0.380
local terms energy: -100.528318
where:
bonds (distance) C4'-P energy: -22.438
bonds (distance) P-C4' energy: -24.178
flat angles C4'-P-C4' energy: -21.711
flat angles P-C4'-P energy: -15.381
tors. eta vs tors. theta energy: -16.821
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: 28
Temperature: 1.050000
Total energy: -256.584143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.584143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.223768 (E_RNA)
where:
Base-Base interactions energy: -156.932
where: short stacking energy: -81.319
Base-Backbone interact. energy: -1.445
local terms energy: -98.846748
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -25.030
flat angles C4'-P-C4' energy: -22.249
flat angles P-C4'-P energy: -14.676
tors. eta vs tors. theta energy: -20.062
Dist. restrs. and SS energy: 0.640 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -248.235647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.235647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.389141 (E_RNA)
where:
Base-Base interactions energy: -160.825
where: short stacking energy: -79.489
Base-Backbone interact. energy: 2.012
local terms energy: -90.576169
where:
bonds (distance) C4'-P energy: -20.439
bonds (distance) P-C4' energy: -14.439
flat angles C4'-P-C4' energy: -17.579
flat angles P-C4'-P energy: -17.946
tors. eta vs tors. theta energy: -20.173
Dist. restrs. and SS energy: 1.153 (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: 2
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -230.987719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.987719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.992249 (E_RNA)
where:
Base-Base interactions energy: -131.340
where: short stacking energy: -64.140
Base-Backbone interact. energy: 1.108
local terms energy: -100.760452
where:
bonds (distance) C4'-P energy: -21.721
bonds (distance) P-C4' energy: -23.241
flat angles C4'-P-C4' energy: -22.665
flat angles P-C4'-P energy: -16.421
tors. eta vs tors. theta energy: -16.712
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: 4
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -228.389705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.389705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.472625 (E_RNA)
where:
Base-Base interactions energy: -132.472
where: short stacking energy: -66.505
Base-Backbone interact. energy: 1.165
local terms energy: -99.165060
where:
bonds (distance) C4'-P energy: -17.835
bonds (distance) P-C4' energy: -23.941
flat angles C4'-P-C4' energy: -24.532
flat angles P-C4'-P energy: -14.333
tors. eta vs tors. theta energy: -18.524
Dist. restrs. and SS energy: 2.083 (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: 9
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -230.916500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.916500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.140097 (E_RNA)
where:
Base-Base interactions energy: -147.164
where: short stacking energy: -66.279
Base-Backbone interact. energy: -0.324
local terms energy: -85.652364
where:
bonds (distance) C4'-P energy: -23.280
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -23.243
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -14.026
Dist. restrs. and SS energy: 2.224 (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: 8
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -198.160259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.160259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.212431 (E_RNA)
where:
Base-Base interactions energy: -126.256
where: short stacking energy: -68.540
Base-Backbone interact. energy: 0.382
local terms energy: -72.338383
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -9.801
flat angles C4'-P-C4' energy: -25.118
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -13.054
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: 3
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -188.542792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.542792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.569445 (E_RNA)
where:
Base-Base interactions energy: -116.938
where: short stacking energy: -52.478
Base-Backbone interact. energy: -0.830
local terms energy: -70.801832
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -20.925
flat angles C4'-P-C4' energy: -16.181
flat angles P-C4'-P energy: -12.953
tors. eta vs tors. theta energy: -7.723
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: 29
Temperature: 0.900000
Total energy: -292.307824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.307824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.315428 (E_RNA)
where:
Base-Base interactions energy: -185.909
where: short stacking energy: -106.440
Base-Backbone interact. energy: 0.759
local terms energy: -107.165750
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -22.656
flat angles C4'-P-C4' energy: -23.531
flat angles P-C4'-P energy: -13.251
tors. eta vs tors. theta energy: -30.429
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: 29
Temperature: 0.950000
Total energy: -276.693289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.693289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.716819 (E_RNA)
where:
Base-Base interactions energy: -167.511
where: short stacking energy: -98.398
Base-Backbone interact. energy: -0.503
local terms energy: -108.702507
where:
bonds (distance) C4'-P energy: -21.337
bonds (distance) P-C4' energy: -19.408
flat angles C4'-P-C4' energy: -23.682
flat angles P-C4'-P energy: -20.272
tors. eta vs tors. theta energy: -24.005
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: 3, replica: 10
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -268.598236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.598236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.759533 (E_RNA)
where:
Base-Base interactions energy: -161.475
where: short stacking energy: -92.471
Base-Backbone interact. energy: -0.002
local terms energy: -107.282319
where:
bonds (distance) C4'-P energy: -22.379
bonds (distance) P-C4' energy: -22.970
flat angles C4'-P-C4' energy: -21.229
flat angles P-C4'-P energy: -17.104
tors. eta vs tors. theta energy: -23.601
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: 4, replica: 5
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -264.572613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.572613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.572914 (E_RNA)
where:
Base-Base interactions energy: -163.999
where: short stacking energy: -81.429
Base-Backbone interact. energy: -0.304
local terms energy: -100.269177
where:
bonds (distance) C4'-P energy: -23.642
bonds (distance) P-C4' energy: -23.358
flat angles C4'-P-C4' energy: -21.940
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -20.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -256.478794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.478794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.565577 (E_RNA)
where:
Base-Base interactions energy: -159.039
where: short stacking energy: -88.934
Base-Backbone interact. energy: -0.024
local terms energy: -97.502195
where:
bonds (distance) C4'-P energy: -21.189
bonds (distance) P-C4' energy: -21.648
flat angles C4'-P-C4' energy: -20.933
flat angles P-C4'-P energy: -13.254
tors. eta vs tors. theta energy: -20.479
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: 2
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -226.666939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.666939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.767423 (E_RNA)
where:
Base-Base interactions energy: -134.192
where: short stacking energy: -71.756
Base-Backbone interact. energy: -0.268
local terms energy: -92.306924
where:
bonds (distance) C4'-P energy: -20.227
bonds (distance) P-C4' energy: -24.772
flat angles C4'-P-C4' energy: -23.260
flat angles P-C4'-P energy: -13.590
tors. eta vs tors. theta energy: -10.458
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: 7, replica: 4
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -233.734681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.734681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.498897 (E_RNA)
where:
Base-Base interactions energy: -143.421
where: short stacking energy: -72.234
Base-Backbone interact. energy: -0.140
local terms energy: -90.937810
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -19.680
flat angles C4'-P-C4' energy: -20.920
flat angles P-C4'-P energy: -17.573
tors. eta vs tors. theta energy: -16.805
Dist. restrs. and SS energy: 0.764 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -242.917801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.917801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.000581 (E_RNA)
where:
Base-Base interactions energy: -156.249
where: short stacking energy: -84.029
Base-Backbone interact. energy: -0.117
local terms energy: -86.634472
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -19.584
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -14.031
tors. eta vs tors. theta energy: -23.109
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: 9
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -229.251034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.251034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.983776 (E_RNA)
where:
Base-Base interactions energy: -145.473
where: short stacking energy: -69.897
Base-Backbone interact. energy: -0.460
local terms energy: -85.050495
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -18.787
flat angles C4'-P-C4' energy: -18.757
flat angles P-C4'-P energy: -12.110
tors. eta vs tors. theta energy: -20.154
Dist. restrs. and SS energy: 1.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -208.765091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.765091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.918666 (E_RNA)
where:
Base-Base interactions energy: -125.918
where: short stacking energy: -61.606
Base-Backbone interact. energy: -0.259
local terms energy: -82.740838
where:
bonds (distance) C4'-P energy: -23.470
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -21.284
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -11.278
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: 1, replica: 1
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -296.420987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.420987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.596758 (E_RNA)
where:
Base-Base interactions energy: -182.240
where: short stacking energy: -105.390
Base-Backbone interact. energy: -0.004
local terms energy: -114.352229
where:
bonds (distance) C4'-P energy: -18.601
bonds (distance) P-C4' energy: -23.391
flat angles C4'-P-C4' energy: -27.646
flat angles P-C4'-P energy: -15.461
tors. eta vs tors. theta energy: -29.253
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: 2, replica: 7
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -277.348049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.348049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.538056 (E_RNA)
where:
Base-Base interactions energy: -162.730
where: short stacking energy: -97.384
Base-Backbone interact. energy: -0.258
local terms energy: -114.550074
where:
bonds (distance) C4'-P energy: -22.956
bonds (distance) P-C4' energy: -25.412
flat angles C4'-P-C4' energy: -23.056
flat angles P-C4'-P energy: -17.704
tors. eta vs tors. theta energy: -25.422
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: 3, replica: 5
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -273.187040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.187040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.371977 (E_RNA)
where:
Base-Base interactions energy: -170.380
where: short stacking energy: -93.391
Base-Backbone interact. energy: -0.105
local terms energy: -102.886633
where:
bonds (distance) C4'-P energy: -24.738
bonds (distance) P-C4' energy: -20.919
flat angles C4'-P-C4' energy: -21.345
flat angles P-C4'-P energy: -12.654
tors. eta vs tors. theta energy: -23.230
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: 4, replica: 10
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -262.728925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.728925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.864219 (E_RNA)
where:
Base-Base interactions energy: -156.717
where: short stacking energy: -92.353
Base-Backbone interact. energy: -0.391
local terms energy: -105.756588
where:
bonds (distance) C4'-P energy: -20.415
bonds (distance) P-C4' energy: -24.816
flat angles C4'-P-C4' energy: -19.991
flat angles P-C4'-P energy: -14.577
tors. eta vs tors. theta energy: -25.958
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -246.949396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.949396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.102663 (E_RNA)
where:
Base-Base interactions energy: -145.120
where: short stacking energy: -78.348
Base-Backbone interact. energy: -0.014
local terms energy: -101.968468
where:
bonds (distance) C4'-P energy: -18.230
bonds (distance) P-C4' energy: -24.141
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -19.092
tors. eta vs tors. theta energy: -23.300
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: 2
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -226.848123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.848123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.875985 (E_RNA)
where:
Base-Base interactions energy: -133.236
where: short stacking energy: -66.746
Base-Backbone interact. energy: -0.198
local terms energy: -93.442442
where:
bonds (distance) C4'-P energy: -21.876
bonds (distance) P-C4' energy: -21.269
flat angles C4'-P-C4' energy: -22.002
flat angles P-C4'-P energy: -16.712
tors. eta vs tors. theta energy: -11.585
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: 8
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -235.930126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.930126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.489715 (E_RNA)
where:
Base-Base interactions energy: -150.675
where: short stacking energy: -74.403
Base-Backbone interact. energy: -0.201
local terms energy: -86.613502
where:
bonds (distance) C4'-P energy: -23.249
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -19.208
Dist. restrs. and SS energy: 1.560 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -218.929181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.929181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.181381 (E_RNA)
where:
Base-Base interactions energy: -135.311
where: short stacking energy: -68.967
Base-Backbone interact. energy: -0.053
local terms energy: -83.817478
where:
bonds (distance) C4'-P energy: -18.043
bonds (distance) P-C4' energy: -20.720
flat angles C4'-P-C4' energy: -21.844
flat angles P-C4'-P energy: -5.965
tors. eta vs tors. theta energy: -17.245
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: 9, replica: 3
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -207.393076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.393076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.509346 (E_RNA)
where:
Base-Base interactions energy: -125.659
where: short stacking energy: -54.329
Base-Backbone interact. energy: -0.309
local terms energy: -81.541364
where:
bonds (distance) C4'-P energy: -17.566
bonds (distance) P-C4' energy: -23.038
flat angles C4'-P-C4' energy: -24.303
flat angles P-C4'-P energy: -6.576
tors. eta vs tors. theta energy: -10.058
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: 9
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -201.810197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.810197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.810197 (E_RNA)
where:
Base-Base interactions energy: -128.961
where: short stacking energy: -68.308
Base-Backbone interact. energy: -0.268
local terms energy: -72.581233
where:
bonds (distance) C4'-P energy: -10.750
bonds (distance) P-C4' energy: -19.246
flat angles C4'-P-C4' energy: -21.397
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -12.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -294.609937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.609937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.481433 (E_RNA)
where:
Base-Base interactions energy: -182.733
where: short stacking energy: -105.052
Base-Backbone interact. energy: -0.088
local terms energy: -112.660457
where:
bonds (distance) C4'-P energy: -18.390
bonds (distance) P-C4' energy: -24.226
flat angles C4'-P-C4' energy: -25.228
flat angles P-C4'-P energy: -14.764
tors. eta vs tors. theta energy: -30.052
Dist. restrs. and SS energy: 0.871 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -270.602266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.602266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.621700 (E_RNA)
where:
Base-Base interactions energy: -158.889
where: short stacking energy: -89.876
Base-Backbone interact. energy: -0.152
local terms energy: -111.579824
where:
bonds (distance) C4'-P energy: -24.241
bonds (distance) P-C4' energy: -24.092
flat angles C4'-P-C4' energy: -23.069
flat angles P-C4'-P energy: -14.835
tors. eta vs tors. theta energy: -25.342
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: 7
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -272.048088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.048088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.255997 (E_RNA)
where:
Base-Base interactions energy: -163.748
where: short stacking energy: -89.250
Base-Backbone interact. energy: 0.179
local terms energy: -108.687079
where:
bonds (distance) C4'-P energy: -23.746
bonds (distance) P-C4' energy: -23.267
flat angles C4'-P-C4' energy: -21.162
flat angles P-C4'-P energy: -14.573
tors. eta vs tors. theta energy: -25.939
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: 4, replica: 6
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -264.467759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.467759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.508674 (E_RNA)
where:
Base-Base interactions energy: -159.258
where: short stacking energy: -89.628
Base-Backbone interact. energy: 0.029
local terms energy: -105.280056
where:
bonds (distance) C4'-P energy: -24.704
bonds (distance) P-C4' energy: -20.649
flat angles C4'-P-C4' energy: -25.275
flat angles P-C4'-P energy: -13.612
tors. eta vs tors. theta energy: -21.040
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: 31
Temperature: 1.100000
Total energy: -261.448721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.448721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.753434 (E_RNA)
where:
Base-Base interactions energy: -163.517
where: short stacking energy: -94.432
Base-Backbone interact. energy: -0.015
local terms energy: -98.220928
where:
bonds (distance) C4'-P energy: -14.825
bonds (distance) P-C4' energy: -21.167
flat angles C4'-P-C4' energy: -25.698
flat angles P-C4'-P energy: -15.155
tors. eta vs tors. theta energy: -21.374
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: 8
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -249.623613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.623613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.851423 (E_RNA)
where:
Base-Base interactions energy: -155.157
where: short stacking energy: -76.426
Base-Backbone interact. energy: -0.188
local terms energy: -94.506455
where:
bonds (distance) C4'-P energy: -19.959
bonds (distance) P-C4' energy: -18.719
flat angles C4'-P-C4' energy: -23.734
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -23.144
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: 2
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -216.457558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.457558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.505337 (E_RNA)
where:
Base-Base interactions energy: -134.387
where: short stacking energy: -61.712
Base-Backbone interact. energy: -0.422
local terms energy: -81.696298
where:
bonds (distance) C4'-P energy: -17.387
bonds (distance) P-C4' energy: -21.643
flat angles C4'-P-C4' energy: -20.702
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -12.759
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: 4
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -224.426719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.426719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.736639 (E_RNA)
where:
Base-Base interactions energy: -139.375
where: short stacking energy: -60.632
Base-Backbone interact. energy: 0.023
local terms energy: -85.384620
where:
bonds (distance) C4'-P energy: -20.497
bonds (distance) P-C4' energy: -13.858
flat angles C4'-P-C4' energy: -21.672
flat angles P-C4'-P energy: -15.635
tors. eta vs tors. theta energy: -13.723
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: 9, replica: 3
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -211.020090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.020090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.033452 (E_RNA)
where:
Base-Base interactions energy: -137.496
where: short stacking energy: -65.969
Base-Backbone interact. energy: -0.269
local terms energy: -73.268818
where:
bonds (distance) C4'-P energy: -11.016
bonds (distance) P-C4' energy: -17.798
flat angles C4'-P-C4' energy: -21.606
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -13.102
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: 9
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -193.258868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.258868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.339752 (E_RNA)
where:
Base-Base interactions energy: -125.118
where: short stacking energy: -58.827
Base-Backbone interact. energy: -0.595
local terms energy: -67.626720
where:
bonds (distance) C4'-P energy: -19.067
bonds (distance) P-C4' energy: -20.485
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -4.152
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: 1, replica: 1
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -299.519139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.519139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.519139 (E_RNA)
where:
Base-Base interactions energy: -182.954
where: short stacking energy: -105.591
Base-Backbone interact. energy: -0.003
local terms energy: -116.562812
where:
bonds (distance) C4'-P energy: -23.655
bonds (distance) P-C4' energy: -21.523
flat angles C4'-P-C4' energy: -24.254
flat angles P-C4'-P energy: -17.086
tors. eta vs tors. theta energy: -30.044
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -277.000406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.000406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.009288 (E_RNA)
where:
Base-Base interactions energy: -168.517
where: short stacking energy: -98.395
Base-Backbone interact. energy: -0.162
local terms energy: -108.331171
where:
bonds (distance) C4'-P energy: -17.439
bonds (distance) P-C4' energy: -21.660
flat angles C4'-P-C4' energy: -21.120
flat angles P-C4'-P energy: -17.425
tors. eta vs tors. theta energy: -30.687
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: 32
Temperature: 1.000000
Total energy: -265.246031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.246031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.246031 (E_RNA)
where:
Base-Base interactions energy: -160.996
where: short stacking energy: -88.707
Base-Backbone interact. energy: -0.201
local terms energy: -104.048880
where:
bonds (distance) C4'-P energy: -20.812
bonds (distance) P-C4' energy: -25.885
flat angles C4'-P-C4' energy: -21.326
flat angles P-C4'-P energy: -16.342
tors. eta vs tors. theta energy: -19.685
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -251.942299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.942299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.989754 (E_RNA)
where:
Base-Base interactions energy: -152.747
where: short stacking energy: -71.536
Base-Backbone interact. energy: -0.062
local terms energy: -99.180887
where:
bonds (distance) C4'-P energy: -18.940
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -22.503
flat angles P-C4'-P energy: -20.043
tors. eta vs tors. theta energy: -19.770
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: 32
Temperature: 1.100000
Total energy: -249.445897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.445897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.445897 (E_RNA)
where:
Base-Base interactions energy: -151.871
where: short stacking energy: -86.336
Base-Backbone interact. energy: -0.136
local terms energy: -97.439477
where:
bonds (distance) C4'-P energy: -22.425
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -26.172
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -23.415
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -240.296195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.296195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.342294 (E_RNA)
where:
Base-Base interactions energy: -147.017
where: short stacking energy: -80.722
Base-Backbone interact. energy: -2.584
local terms energy: -90.741327
where:
bonds (distance) C4'-P energy: -15.520
bonds (distance) P-C4' energy: -22.420
flat angles C4'-P-C4' energy: -21.485
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -21.200
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: 32
Temperature: 1.200000
Total energy: -238.216284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.216284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.373221 (E_RNA)
where:
Base-Base interactions energy: -143.467
where: short stacking energy: -81.797
Base-Backbone interact. energy: -0.277
local terms energy: -94.629861
where:
bonds (distance) C4'-P energy: -14.449
bonds (distance) P-C4' energy: -23.616
flat angles C4'-P-C4' energy: -19.103
flat angles P-C4'-P energy: -17.102
tors. eta vs tors. theta energy: -20.360
Dist. restrs. and SS energy: 0.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -238.994558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.994558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.292123 (E_RNA)
where:
Base-Base interactions energy: -157.812
where: short stacking energy: -83.306
Base-Backbone interact. energy: -0.102
local terms energy: -81.378158
where:
bonds (distance) C4'-P energy: -10.770
bonds (distance) P-C4' energy: -24.886
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -14.071
tors. eta vs tors. theta energy: -16.544
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: 9, replica: 9
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -197.228690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.228690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.313308 (E_RNA)
where:
Base-Base interactions energy: -122.934
where: short stacking energy: -58.875
Base-Backbone interact. energy: 0.788
local terms energy: -75.167206
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -20.116
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -12.870
tors. eta vs tors. theta energy: -11.465
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: 3
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -211.790834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.790834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.468400 (E_RNA)
where:
Base-Base interactions energy: -136.914
where: short stacking energy: -60.462
Base-Backbone interact. energy: -1.070
local terms energy: -74.484280
where:
bonds (distance) C4'-P energy: -24.591
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -6.292
tors. eta vs tors. theta energy: -13.605
Dist. restrs. and SS energy: 0.678 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -305.179845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.179845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.269635 (E_RNA)
where:
Base-Base interactions energy: -191.440
where: short stacking energy: -110.768
Base-Backbone interact. energy: 0.029
local terms energy: -113.858975
where:
bonds (distance) C4'-P energy: -20.502
bonds (distance) P-C4' energy: -19.841
flat angles C4'-P-C4' energy: -24.865
flat angles P-C4'-P energy: -14.870
tors. eta vs tors. theta energy: -33.780
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: 7
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -278.450489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.450489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.593953 (E_RNA)
where:
Base-Base interactions energy: -182.313
where: short stacking energy: -92.821
Base-Backbone interact. energy: -0.052
local terms energy: -96.229037
where:
bonds (distance) C4'-P energy: -16.606
bonds (distance) P-C4' energy: -20.403
flat angles C4'-P-C4' energy: -23.691
flat angles P-C4'-P energy: -12.942
tors. eta vs tors. theta energy: -22.588
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: 3, replica: 5
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -298.571193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.571193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.372856 (E_RNA)
where:
Base-Base interactions energy: -189.985
where: short stacking energy: -101.294
Base-Backbone interact. energy: -0.396
local terms energy: -109.992193
where:
bonds (distance) C4'-P energy: -20.845
bonds (distance) P-C4' energy: -21.300
flat angles C4'-P-C4' energy: -22.477
flat angles P-C4'-P energy: -16.862
tors. eta vs tors. theta energy: -28.509
Dist. restrs. and SS energy: 1.802 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -251.330165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.330165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.350112 (E_RNA)
where:
Base-Base interactions energy: -158.381
where: short stacking energy: -79.050
Base-Backbone interact. energy: -0.254
local terms energy: -92.714669
where:
bonds (distance) C4'-P energy: -20.506
bonds (distance) P-C4' energy: -14.844
flat angles C4'-P-C4' energy: -24.757
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -22.849
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: 33
Temperature: 1.100000
Total energy: -247.283772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.283772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.452902 (E_RNA)
where:
Base-Base interactions energy: -154.374
where: short stacking energy: -86.564
Base-Backbone interact. energy: -0.008
local terms energy: -93.071177
where:
bonds (distance) C4'-P energy: -22.049
bonds (distance) P-C4' energy: -18.226
flat angles C4'-P-C4' energy: -16.802
flat angles P-C4'-P energy: -18.618
tors. eta vs tors. theta energy: -17.376
Dist. restrs. and SS energy: 0.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -222.945619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.945619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.020545 (E_RNA)
where:
Base-Base interactions energy: -130.731
where: short stacking energy: -68.362
Base-Backbone interact. energy: -0.369
local terms energy: -91.920675
where:
bonds (distance) C4'-P energy: -23.150
bonds (distance) P-C4' energy: -21.791
flat angles C4'-P-C4' energy: -19.813
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -15.203
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: 33
Temperature: 1.200000
Total energy: -229.711331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.711331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.104449 (E_RNA)
where:
Base-Base interactions energy: -142.531
where: short stacking energy: -83.310
Base-Backbone interact. energy: 0.453
local terms energy: -88.026462
where:
bonds (distance) C4'-P energy: -8.421
bonds (distance) P-C4' energy: -19.048
flat angles C4'-P-C4' energy: -23.335
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -25.242
Dist. restrs. and SS energy: 0.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -213.163993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.163993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.492687 (E_RNA)
where:
Base-Base interactions energy: -139.763
where: short stacking energy: -66.986
Base-Backbone interact. energy: -0.145
local terms energy: -74.584486
where:
bonds (distance) C4'-P energy: -20.916
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -9.956
flat angles P-C4'-P energy: -12.579
tors. eta vs tors. theta energy: -14.723
Dist. restrs. and SS energy: 1.329 (S_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: 33
Temperature: 1.300000
Total energy: -218.115414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.115414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.150454 (E_RNA)
where:
Base-Base interactions energy: -137.467
where: short stacking energy: -73.819
Base-Backbone interact. energy: -0.351
local terms energy: -80.332376
where:
bonds (distance) C4'-P energy: -18.091
bonds (distance) P-C4' energy: -21.940
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -7.349
tors. eta vs tors. theta energy: -17.383
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: 3
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -215.772877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.772877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.012111 (E_RNA)
where:
Base-Base interactions energy: -132.651
where: short stacking energy: -62.204
Base-Backbone interact. energy: 1.646
local terms energy: -86.006819
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -22.694
flat angles C4'-P-C4' energy: -19.908
flat angles P-C4'-P energy: -17.403
tors. eta vs tors. theta energy: -13.668
Dist. restrs. and SS energy: 1.239 (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: 34
Temperature: 0.900000
Total energy: -307.518072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.518072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.631736 (E_RNA)
where:
Base-Base interactions energy: -185.938
where: short stacking energy: -115.874
Base-Backbone interact. energy: -0.004
local terms energy: -121.689831
where:
bonds (distance) C4'-P energy: -23.364
bonds (distance) P-C4' energy: -24.442
flat angles C4'-P-C4' energy: -25.939
flat angles P-C4'-P energy: -13.928
tors. eta vs tors. theta energy: -34.017
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: 2, replica: 7
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -291.844812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.844812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.396325 (E_RNA)
where:
Base-Base interactions energy: -190.934
where: short stacking energy: -105.474
Base-Backbone interact. energy: -0.230
local terms energy: -102.232003
where:
bonds (distance) C4'-P energy: -16.929
bonds (distance) P-C4' energy: -24.009
flat angles C4'-P-C4' energy: -20.717
flat angles P-C4'-P energy: -15.605
tors. eta vs tors. theta energy: -24.972
Dist. restrs. and SS energy: 1.552 (S_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: 34
Temperature: 1.000000
Total energy: -269.409790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.409790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.634847 (E_RNA)
where:
Base-Base interactions energy: -163.367
where: short stacking energy: -89.829
Base-Backbone interact. energy: -0.988
local terms energy: -105.280172
where:
bonds (distance) C4'-P energy: -23.057
bonds (distance) P-C4' energy: -18.473
flat angles C4'-P-C4' energy: -22.387
flat angles P-C4'-P energy: -16.146
tors. eta vs tors. theta energy: -25.218
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: 4, replica: 10
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -272.444498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.444498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.539016 (E_RNA)
where:
Base-Base interactions energy: -159.725
where: short stacking energy: -90.787
Base-Backbone interact. energy: -0.094
local terms energy: -112.719943
where:
bonds (distance) C4'-P energy: -23.462
bonds (distance) P-C4' energy: -22.697
flat angles C4'-P-C4' energy: -25.556
flat angles P-C4'-P energy: -17.336
tors. eta vs tors. theta energy: -23.669
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: 6
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -236.736757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.736757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.806516 (E_RNA)
where:
Base-Base interactions energy: -140.663
where: short stacking energy: -74.190
Base-Backbone interact. energy: 0.503
local terms energy: -96.646456
where:
bonds (distance) C4'-P energy: -19.756
bonds (distance) P-C4' energy: -23.197
flat angles C4'-P-C4' energy: -20.975
flat angles P-C4'-P energy: -20.076
tors. eta vs tors. theta energy: -12.642
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: 4
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -240.887435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.887435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.196030 (E_RNA)
where:
Base-Base interactions energy: -143.017
where: short stacking energy: -83.438
Base-Backbone interact. energy: -0.100
local terms energy: -98.078737
where:
bonds (distance) C4'-P energy: -19.561
bonds (distance) P-C4' energy: -23.123
flat angles C4'-P-C4' energy: -20.895
flat angles P-C4'-P energy: -16.279
tors. eta vs tors. theta energy: -18.221
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: 9
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -227.796155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.796155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.811805 (E_RNA)
where:
Base-Base interactions energy: -139.470
where: short stacking energy: -76.789
Base-Backbone interact. energy: -0.183
local terms energy: -88.158960
where:
bonds (distance) C4'-P energy: -14.333
bonds (distance) P-C4' energy: -23.064
flat angles C4'-P-C4' energy: -18.889
flat angles P-C4'-P energy: -13.660
tors. eta vs tors. theta energy: -18.214
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: 34
Temperature: 1.250000
Total energy: -214.004780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.004780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.004780 (E_RNA)
where:
Base-Base interactions energy: -132.358
where: short stacking energy: -66.761
Base-Backbone interact. energy: -0.538
local terms energy: -81.108438
where:
bonds (distance) C4'-P energy: -15.306
bonds (distance) P-C4' energy: -21.454
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -17.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -199.395354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.395354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.473117 (E_RNA)
where:
Base-Base interactions energy: -115.985
where: short stacking energy: -54.906
Base-Backbone interact. energy: -0.105
local terms energy: -83.382976
where:
bonds (distance) C4'-P energy: -17.260
bonds (distance) P-C4' energy: -21.696
flat angles C4'-P-C4' energy: -11.253
flat angles P-C4'-P energy: -17.107
tors. eta vs tors. theta energy: -16.067
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: 2
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -216.359946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.359946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.581352 (E_RNA)
where:
Base-Base interactions energy: -129.223
where: short stacking energy: -70.984
Base-Backbone interact. energy: -0.066
local terms energy: -87.292796
where:
bonds (distance) C4'-P energy: -13.003
bonds (distance) P-C4' energy: -19.656
flat angles C4'-P-C4' energy: -25.607
flat angles P-C4'-P energy: -11.326
tors. eta vs tors. theta energy: -17.701
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: 1, replica: 1
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -298.595710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.595710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.630782 (E_RNA)
where:
Base-Base interactions energy: -185.522
where: short stacking energy: -111.278
Base-Backbone interact. energy: 0.033
local terms energy: -113.141774
where:
bonds (distance) C4'-P energy: -21.397
bonds (distance) P-C4' energy: -19.845
flat angles C4'-P-C4' energy: -24.107
flat angles P-C4'-P energy: -17.237
tors. eta vs tors. theta energy: -30.556
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: 35
Temperature: 0.950000
Total energy: -256.383850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.383850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.366277 (E_RNA)
where:
Base-Base interactions energy: -161.468
where: short stacking energy: -85.721
Base-Backbone interact. energy: -0.118
local terms energy: -95.780224
where:
bonds (distance) C4'-P energy: -19.371
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -18.956
flat angles P-C4'-P energy: -16.765
tors. eta vs tors. theta energy: -25.152
Dist. restrs. and SS energy: 0.982 (S_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: 35
Temperature: 1.000000
Total energy: -270.147406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.147406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.266977 (E_RNA)
where:
Base-Base interactions energy: -163.861
where: short stacking energy: -88.183
Base-Backbone interact. energy: -0.015
local terms energy: -106.390185
where:
bonds (distance) C4'-P energy: -20.769
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -21.097
flat angles P-C4'-P energy: -20.692
tors. eta vs tors. theta energy: -25.862
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: 6
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -249.331326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.331326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.353122 (E_RNA)
where:
Base-Base interactions energy: -158.588
where: short stacking energy: -85.003
Base-Backbone interact. energy: -0.193
local terms energy: -90.572255
where:
bonds (distance) C4'-P energy: -19.339
bonds (distance) P-C4' energy: -20.903
flat angles C4'-P-C4' energy: -18.810
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -19.671
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -238.854045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.854045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.983909 (E_RNA)
where:
Base-Base interactions energy: -146.058
where: short stacking energy: -80.799
Base-Backbone interact. energy: -0.066
local terms energy: -92.859835
where:
bonds (distance) C4'-P energy: -14.709
bonds (distance) P-C4' energy: -25.302
flat angles C4'-P-C4' energy: -19.634
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -23.907
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: 9
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -246.834326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.834326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.842160 (E_RNA)
where:
Base-Base interactions energy: -158.069
where: short stacking energy: -77.503
Base-Backbone interact. energy: 1.142
local terms energy: -89.915814
where:
bonds (distance) C4'-P energy: -18.349
bonds (distance) P-C4' energy: -22.784
flat angles C4'-P-C4' energy: -23.506
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -14.284
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: 35
Temperature: 1.200000
Total energy: -219.472335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.472335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.597981 (E_RNA)
where:
Base-Base interactions energy: -141.636
where: short stacking energy: -81.164
Base-Backbone interact. energy: -0.347
local terms energy: -77.614715
where:
bonds (distance) C4'-P energy: -14.932
bonds (distance) P-C4' energy: -19.953
flat angles C4'-P-C4' energy: -18.495
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -16.006
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: 3
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -201.479043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.479043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.604401 (E_RNA)
where:
Base-Base interactions energy: -121.078
where: short stacking energy: -57.438
Base-Backbone interact. energy: -0.351
local terms energy: -80.175724
where:
bonds (distance) C4'-P energy: -21.586
bonds (distance) P-C4' energy: -18.638
flat angles C4'-P-C4' energy: -19.719
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: -7.789
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: 8
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -199.133945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.133945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.155722 (E_RNA)
where:
Base-Base interactions energy: -120.103
where: short stacking energy: -61.338
Base-Backbone interact. energy: -0.095
local terms energy: -78.957177
where:
bonds (distance) C4'-P energy: -16.440
bonds (distance) P-C4' energy: -18.680
flat angles C4'-P-C4' energy: -20.453
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: -11.808
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: 2
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -193.753715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.753715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.169613 (E_RNA)
where:
Base-Base interactions energy: -118.008
where: short stacking energy: -55.029
Base-Backbone interact. energy: 0.282
local terms energy: -76.443309
where:
bonds (distance) C4'-P energy: -19.574
bonds (distance) P-C4' energy: -22.456
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -7.038
tors. eta vs tors. theta energy: -10.049
Dist. restrs. and SS energy: 0.416 (S_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: -312.031686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.031686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.924013 (E_RNA)
where:
Base-Base interactions energy: -197.989
where: short stacking energy: -112.088
Base-Backbone interact. energy: -0.033
local terms energy: -115.901851
where:
bonds (distance) C4'-P energy: -19.500
bonds (distance) P-C4' energy: -23.961
flat angles C4'-P-C4' energy: -25.113
flat angles P-C4'-P energy: -16.781
tors. eta vs tors. theta energy: -30.548
Dist. restrs. and SS energy: 1.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -297.031039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.031039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.050102 (E_RNA)
where:
Base-Base interactions energy: -180.381
where: short stacking energy: -102.964
Base-Backbone interact. energy: -0.008
local terms energy: -116.660985
where:
bonds (distance) C4'-P energy: -20.829
bonds (distance) P-C4' energy: -22.437
flat angles C4'-P-C4' energy: -23.972
flat angles P-C4'-P energy: -17.853
tors. eta vs tors. theta energy: -31.570
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: 36
Temperature: 1.000000
Total energy: -263.537588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.537588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.537588 (E_RNA)
where:
Base-Base interactions energy: -158.700
where: short stacking energy: -80.006
Base-Backbone interact. energy: -0.153
local terms energy: -104.684458
where:
bonds (distance) C4'-P energy: -19.943
bonds (distance) P-C4' energy: -23.993
flat angles C4'-P-C4' energy: -22.607
flat angles P-C4'-P energy: -15.630
tors. eta vs tors. theta energy: -22.511
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -265.710899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.710899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.714621 (E_RNA)
where:
Base-Base interactions energy: -159.326
where: short stacking energy: -99.083
Base-Backbone interact. energy: -0.013
local terms energy: -106.374953
where:
bonds (distance) C4'-P energy: -18.913
bonds (distance) P-C4' energy: -21.073
flat angles C4'-P-C4' energy: -24.011
flat angles P-C4'-P energy: -17.343
tors. eta vs tors. theta energy: -25.035
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -243.290274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.290274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.293798 (E_RNA)
where:
Base-Base interactions energy: -141.592
where: short stacking energy: -80.913
Base-Backbone interact. energy: -0.392
local terms energy: -101.309650
where:
bonds (distance) C4'-P energy: -19.018
bonds (distance) P-C4' energy: -23.175
flat angles C4'-P-C4' energy: -23.899
flat angles P-C4'-P energy: -13.200
tors. eta vs tors. theta energy: -22.017
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -249.677959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.677959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.808437 (E_RNA)
where:
Base-Base interactions energy: -152.207
where: short stacking energy: -83.606
Base-Backbone interact. energy: 1.740
local terms energy: -99.341472
where:
bonds (distance) C4'-P energy: -19.650
bonds (distance) P-C4' energy: -19.543
flat angles C4'-P-C4' energy: -23.752
flat angles P-C4'-P energy: -13.602
tors. eta vs tors. theta energy: -22.793
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: 7, replica: 3
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -231.521821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.521821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.521821 (E_RNA)
where:
Base-Base interactions energy: -138.196
where: short stacking energy: -73.133
Base-Backbone interact. energy: -0.103
local terms energy: -93.222987
where:
bonds (distance) C4'-P energy: -11.593
bonds (distance) P-C4' energy: -25.313
flat angles C4'-P-C4' energy: -19.386
flat angles P-C4'-P energy: -14.655
tors. eta vs tors. theta energy: -22.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -209.230454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.230454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.281637 (E_RNA)
where:
Base-Base interactions energy: -116.387
where: short stacking energy: -55.485
Base-Backbone interact. energy: -0.645
local terms energy: -92.249087
where:
bonds (distance) C4'-P energy: -21.844
bonds (distance) P-C4' energy: -24.265
flat angles C4'-P-C4' energy: -21.296
flat angles P-C4'-P energy: -14.738
tors. eta vs tors. theta energy: -10.107
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: 2
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -217.749079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.749079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.776164 (E_RNA)
where:
Base-Base interactions energy: -127.349
where: short stacking energy: -55.146
Base-Backbone interact. energy: -1.269
local terms energy: -89.158083
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -24.819
flat angles C4'-P-C4' energy: -20.508
flat angles P-C4'-P energy: -13.908
tors. eta vs tors. theta energy: -13.047
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -215.117853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.117853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.196472 (E_RNA)
where:
Base-Base interactions energy: -138.107
where: short stacking energy: -75.208
Base-Backbone interact. energy: -0.191
local terms energy: -76.898289
where:
bonds (distance) C4'-P energy: -14.569
bonds (distance) P-C4' energy: -19.839
flat angles C4'-P-C4' energy: -19.009
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -14.179
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -312.944737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.944737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.258365 (E_RNA)
where:
Base-Base interactions energy: -195.399
where: short stacking energy: -114.619
Base-Backbone interact. energy: -2.646
local terms energy: -117.213237
where:
bonds (distance) C4'-P energy: -21.987
bonds (distance) P-C4' energy: -22.199
flat angles C4'-P-C4' energy: -22.250
flat angles P-C4'-P energy: -18.427
tors. eta vs tors. theta energy: -32.351
Dist. restrs. and SS energy: 2.314 (S_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: -281.976147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.976147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.235201 (E_RNA)
where:
Base-Base interactions energy: -170.375
where: short stacking energy: -89.371
Base-Backbone interact. energy: -0.172
local terms energy: -111.687924
where:
bonds (distance) C4'-P energy: -21.466
bonds (distance) P-C4' energy: -19.121
flat angles C4'-P-C4' energy: -20.893
flat angles P-C4'-P energy: -20.987
tors. eta vs tors. theta energy: -29.220
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: 3, replica: 7
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -270.015996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.015996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.048427 (E_RNA)
where:
Base-Base interactions energy: -162.915
where: short stacking energy: -92.321
Base-Backbone interact. energy: -0.662
local terms energy: -106.470980
where:
bonds (distance) C4'-P energy: -21.080
bonds (distance) P-C4' energy: -20.045
flat angles C4'-P-C4' energy: -22.665
flat angles P-C4'-P energy: -18.755
tors. eta vs tors. theta energy: -23.926
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: 9
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -262.708747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.708747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.805498 (E_RNA)
where:
Base-Base interactions energy: -166.851
where: short stacking energy: -99.957
Base-Backbone interact. energy: 1.907
local terms energy: -97.861375
where:
bonds (distance) C4'-P energy: -19.512
bonds (distance) P-C4' energy: -23.235
flat angles C4'-P-C4' energy: -19.109
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -25.625
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: 5, replica: 5
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -261.514880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.514880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.542701 (E_RNA)
where:
Base-Base interactions energy: -149.219
where: short stacking energy: -82.135
Base-Backbone interact. energy: -0.065
local terms energy: -112.259030
where:
bonds (distance) C4'-P energy: -23.970
bonds (distance) P-C4' energy: -20.768
flat angles C4'-P-C4' energy: -21.183
flat angles P-C4'-P energy: -16.558
tors. eta vs tors. theta energy: -29.779
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -236.877044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.877044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.898555 (E_RNA)
where:
Base-Base interactions energy: -140.545
where: short stacking energy: -72.205
Base-Backbone interact. energy: -0.126
local terms energy: -96.228159
where:
bonds (distance) C4'-P energy: -21.011
bonds (distance) P-C4' energy: -23.589
flat angles C4'-P-C4' energy: -20.255
flat angles P-C4'-P energy: -14.264
tors. eta vs tors. theta energy: -17.110
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: 37
Temperature: 1.200000
Total energy: -216.342879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.342879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.355843 (E_RNA)
where:
Base-Base interactions energy: -134.891
where: short stacking energy: -73.077
Base-Backbone interact. energy: -0.183
local terms energy: -81.282094
where:
bonds (distance) C4'-P energy: -10.176
bonds (distance) P-C4' energy: -22.350
flat angles C4'-P-C4' energy: -18.155
flat angles P-C4'-P energy: -14.273
tors. eta vs tors. theta energy: -16.328
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: 37
Temperature: 1.250000
Total energy: -212.743144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.743144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.884557 (E_RNA)
where:
Base-Base interactions energy: -127.788
where: short stacking energy: -67.082
Base-Backbone interact. energy: -0.315
local terms energy: -84.781504
where:
bonds (distance) C4'-P energy: -12.731
bonds (distance) P-C4' energy: -18.751
flat angles C4'-P-C4' energy: -24.791
flat angles P-C4'-P energy: -13.315
tors. eta vs tors. theta energy: -15.194
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: 37
Temperature: 1.300000
Total energy: -200.716991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.716991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.716991 (E_RNA)
where:
Base-Base interactions energy: -122.810
where: short stacking energy: -64.263
Base-Backbone interact. energy: 1.195
local terms energy: -79.102085
where:
bonds (distance) C4'-P energy: -10.096
bonds (distance) P-C4' energy: -25.411
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -13.319
tors. eta vs tors. theta energy: -14.976
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -194.310771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.310771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.348077 (E_RNA)
where:
Base-Base interactions energy: -113.322
where: short stacking energy: -55.303
Base-Backbone interact. energy: -0.284
local terms energy: -80.741818
where:
bonds (distance) C4'-P energy: -18.285
bonds (distance) P-C4' energy: -20.678
flat angles C4'-P-C4' energy: -18.231
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -12.142
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -315.046362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.046362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.498804 (E_RNA)
where:
Base-Base interactions energy: -195.186
where: short stacking energy: -112.972
Base-Backbone interact. energy: -0.043
local terms energy: -121.269766
where:
bonds (distance) C4'-P energy: -23.375
bonds (distance) P-C4' energy: -25.189
flat angles C4'-P-C4' energy: -21.225
flat angles P-C4'-P energy: -16.443
tors. eta vs tors. theta energy: -35.038
Dist. restrs. and SS energy: 1.452 (S_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: 38
Temperature: 0.950000
Total energy: -284.777853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.777853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.777853 (E_RNA)
where:
Base-Base interactions energy: -175.345
where: short stacking energy: -100.614
Base-Backbone interact. energy: -0.003
local terms energy: -109.429477
where:
bonds (distance) C4'-P energy: -16.357
bonds (distance) P-C4' energy: -22.274
flat angles C4'-P-C4' energy: -24.193
flat angles P-C4'-P energy: -16.657
tors. eta vs tors. theta energy: -29.948
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -260.356846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.356846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.366743 (E_RNA)
where:
Base-Base interactions energy: -155.437
where: short stacking energy: -92.332
Base-Backbone interact. energy: -0.124
local terms energy: -104.805431
where:
bonds (distance) C4'-P energy: -18.063
bonds (distance) P-C4' energy: -18.964
flat angles C4'-P-C4' energy: -21.739
flat angles P-C4'-P energy: -19.902
tors. eta vs tors. theta energy: -26.136
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -252.037670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.037670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.037670 (E_RNA)
where:
Base-Base interactions energy: -151.130
where: short stacking energy: -69.532
Base-Backbone interact. energy: -0.028
local terms energy: -100.879809
where:
bonds (distance) C4'-P energy: -23.287
bonds (distance) P-C4' energy: -23.165
flat angles C4'-P-C4' energy: -23.728
flat angles P-C4'-P energy: -13.255
tors. eta vs tors. theta energy: -17.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -248.066328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.066328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.220805 (E_RNA)
where:
Base-Base interactions energy: -153.625
where: short stacking energy: -84.525
Base-Backbone interact. energy: -0.104
local terms energy: -94.492120
where:
bonds (distance) C4'-P energy: -21.040
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -19.054
flat angles P-C4'-P energy: -15.075
tors. eta vs tors. theta energy: -22.546
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: 10
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -221.613422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.613422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.613422 (E_RNA)
where:
Base-Base interactions energy: -135.389
where: short stacking energy: -73.700
Base-Backbone interact. energy: -0.184
local terms energy: -86.039856
where:
bonds (distance) C4'-P energy: -19.231
bonds (distance) P-C4' energy: -17.951
flat angles C4'-P-C4' energy: -18.507
flat angles P-C4'-P energy: -17.450
tors. eta vs tors. theta energy: -12.900
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -221.870581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.870581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.876532 (E_RNA)
where:
Base-Base interactions energy: -134.371
where: short stacking energy: -73.037
Base-Backbone interact. energy: -0.364
local terms energy: -87.142020
where:
bonds (distance) C4'-P energy: -19.499
bonds (distance) P-C4' energy: -18.251
flat angles C4'-P-C4' energy: -19.240
flat angles P-C4'-P energy: -15.395
tors. eta vs tors. theta energy: -14.757
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -219.809917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.809917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.028640 (E_RNA)
where:
Base-Base interactions energy: -137.323
where: short stacking energy: -59.996
Base-Backbone interact. energy: 0.435
local terms energy: -83.141147
where:
bonds (distance) C4'-P energy: -20.891
bonds (distance) P-C4' energy: -24.420
flat angles C4'-P-C4' energy: -17.731
flat angles P-C4'-P energy: -6.391
tors. eta vs tors. theta energy: -13.708
Dist. restrs. and SS energy: 0.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -204.209627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.209627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.349640 (E_RNA)
where:
Base-Base interactions energy: -131.829
where: short stacking energy: -65.791
Base-Backbone interact. energy: -0.925
local terms energy: -71.595558
where:
bonds (distance) C4'-P energy: -19.383
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -12.968
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: 10, replica: 4
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -190.787104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.787104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.796971 (E_RNA)
where:
Base-Base interactions energy: -110.619
where: short stacking energy: -54.191
Base-Backbone interact. energy: -0.286
local terms energy: -79.892450
where:
bonds (distance) C4'-P energy: -18.472
bonds (distance) P-C4' energy: -22.567
flat angles C4'-P-C4' energy: -20.718
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: -5.361
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: 1, replica: 1
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -310.908708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.908708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.007075 (E_RNA)
where:
Base-Base interactions energy: -190.129
where: short stacking energy: -118.683
Base-Backbone interact. energy: -0.045
local terms energy: -120.832990
where:
bonds (distance) C4'-P energy: -18.348
bonds (distance) P-C4' energy: -23.973
flat angles C4'-P-C4' energy: -24.830
flat angles P-C4'-P energy: -19.938
tors. eta vs tors. theta energy: -33.744
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: 39
Temperature: 0.950000
Total energy: -277.350310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.350310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.470190 (E_RNA)
where:
Base-Base interactions energy: -164.935
where: short stacking energy: -95.289
Base-Backbone interact. energy: 0.200
local terms energy: -112.734673
where:
bonds (distance) C4'-P energy: -24.633
bonds (distance) P-C4' energy: -24.585
flat angles C4'-P-C4' energy: -24.477
flat angles P-C4'-P energy: -14.640
tors. eta vs tors. theta energy: -24.400
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: 6
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -265.621933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.621933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.825379 (E_RNA)
where:
Base-Base interactions energy: -155.411
where: short stacking energy: -89.111
Base-Backbone interact. energy: -0.530
local terms energy: -109.884713
where:
bonds (distance) C4'-P energy: -21.302
bonds (distance) P-C4' energy: -26.456
flat angles C4'-P-C4' energy: -20.335
flat angles P-C4'-P energy: -20.096
tors. eta vs tors. theta energy: -21.695
Dist. restrs. and SS energy: 0.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -260.049430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.049430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.142113 (E_RNA)
where:
Base-Base interactions energy: -168.901
where: short stacking energy: -100.094
Base-Backbone interact. energy: 0.526
local terms energy: -91.766169
where:
bonds (distance) C4'-P energy: -20.650
bonds (distance) P-C4' energy: -15.264
flat angles C4'-P-C4' energy: -22.421
flat angles P-C4'-P energy: -4.112
tors. eta vs tors. theta energy: -29.319
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -248.114243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.114243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.161410 (E_RNA)
where:
Base-Base interactions energy: -150.852
where: short stacking energy: -85.540
Base-Backbone interact. energy: -0.063
local terms energy: -97.246759
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -22.424
flat angles C4'-P-C4' energy: -20.935
flat angles P-C4'-P energy: -16.691
tors. eta vs tors. theta energy: -21.180
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: 39
Temperature: 1.150000
Total energy: -232.337054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.337054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.337054 (E_RNA)
where:
Base-Base interactions energy: -149.531
where: short stacking energy: -67.470
Base-Backbone interact. energy: -0.599
local terms energy: -82.206975
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -24.184
flat angles C4'-P-C4' energy: -20.546
flat angles P-C4'-P energy: -13.638
tors. eta vs tors. theta energy: -8.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -218.886832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.886832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.294207 (E_RNA)
where:
Base-Base interactions energy: -131.483
where: short stacking energy: -64.759
Base-Backbone interact. energy: 1.693
local terms energy: -89.503687
where:
bonds (distance) C4'-P energy: -17.794
bonds (distance) P-C4' energy: -19.471
flat angles C4'-P-C4' energy: -22.733
flat angles P-C4'-P energy: -15.579
tors. eta vs tors. theta energy: -13.926
Dist. restrs. and SS energy: 0.407 (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: 8
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -216.027016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.027016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.050273 (E_RNA)
where:
Base-Base interactions energy: -125.670
where: short stacking energy: -59.804
Base-Backbone interact. energy: -0.214
local terms energy: -90.166119
where:
bonds (distance) C4'-P energy: -20.650
bonds (distance) P-C4' energy: -23.450
flat angles C4'-P-C4' energy: -20.229
flat angles P-C4'-P energy: -15.558
tors. eta vs tors. theta energy: -10.279
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: 39
Temperature: 1.300000
Total energy: -217.684657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.684657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.742363 (E_RNA)
where:
Base-Base interactions energy: -123.798
where: short stacking energy: -56.723
Base-Backbone interact. energy: -0.196
local terms energy: -93.748075
where:
bonds (distance) C4'-P energy: -22.248
bonds (distance) P-C4' energy: -18.174
flat angles C4'-P-C4' energy: -21.995
flat angles P-C4'-P energy: -15.654
tors. eta vs tors. theta energy: -15.679
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: 39
Temperature: 1.350000
Total energy: -207.241201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.241201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.396819 (E_RNA)
where:
Base-Base interactions energy: -123.526
where: short stacking energy: -61.604
Base-Backbone interact. energy: -0.376
local terms energy: -83.495008
where:
bonds (distance) C4'-P energy: -22.997
bonds (distance) P-C4' energy: -22.837
flat angles C4'-P-C4' energy: -22.071
flat angles P-C4'-P energy: -4.145
tors. eta vs tors. theta energy: -11.444
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: 1, replica: 1
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -309.142780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.142780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.159282 (E_RNA)
where:
Base-Base interactions energy: -193.355
where: short stacking energy: -103.054
Base-Backbone interact. energy: -0.259
local terms energy: -115.545679
where:
bonds (distance) C4'-P energy: -20.010
bonds (distance) P-C4' energy: -22.716
flat angles C4'-P-C4' energy: -23.056
flat angles P-C4'-P energy: -17.922
tors. eta vs tors. theta energy: -31.841
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: 7
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -283.564583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.564583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.583027 (E_RNA)
where:
Base-Base interactions energy: -171.665
where: short stacking energy: -102.734
Base-Backbone interact. energy: -0.371
local terms energy: -111.547313
where:
bonds (distance) C4'-P energy: -20.635
bonds (distance) P-C4' energy: -23.079
flat angles C4'-P-C4' energy: -26.884
flat angles P-C4'-P energy: -13.272
tors. eta vs tors. theta energy: -27.678
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: 5
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -263.100858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.100858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.189101 (E_RNA)
where:
Base-Base interactions energy: -163.679
where: short stacking energy: -85.243
Base-Backbone interact. energy: -0.180
local terms energy: -100.330216
where:
bonds (distance) C4'-P energy: -18.758
bonds (distance) P-C4' energy: -24.935
flat angles C4'-P-C4' energy: -21.388
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -24.626
Dist. restrs. and SS energy: 1.088 (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: 6
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -261.801570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.801570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.982031 (E_RNA)
where:
Base-Base interactions energy: -156.982
where: short stacking energy: -85.606
Base-Backbone interact. energy: -0.245
local terms energy: -104.755194
where:
bonds (distance) C4'-P energy: -21.718
bonds (distance) P-C4' energy: -24.253
flat angles C4'-P-C4' energy: -25.548
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: -19.817
Dist. restrs. and SS energy: 0.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -261.547382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.547382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.557166 (E_RNA)
where:
Base-Base interactions energy: -150.631
where: short stacking energy: -88.646
Base-Backbone interact. energy: -0.007
local terms energy: -110.919558
where:
bonds (distance) C4'-P energy: -22.238
bonds (distance) P-C4' energy: -22.838
flat angles C4'-P-C4' energy: -20.814
flat angles P-C4'-P energy: -16.472
tors. eta vs tors. theta energy: -28.558
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: 40
Temperature: 1.150000
Total energy: -237.727066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.727066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.858606 (E_RNA)
where:
Base-Base interactions energy: -145.195
where: short stacking energy: -73.057
Base-Backbone interact. energy: -0.631
local terms energy: -92.033141
where:
bonds (distance) C4'-P energy: -22.424
bonds (distance) P-C4' energy: -17.099
flat angles C4'-P-C4' energy: -17.336
flat angles P-C4'-P energy: -13.792
tors. eta vs tors. theta energy: -21.381
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -212.240770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.240770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.390333 (E_RNA)
where:
Base-Base interactions energy: -125.916
where: short stacking energy: -66.285
Base-Backbone interact. energy: -0.457
local terms energy: -86.017259
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -22.340
flat angles C4'-P-C4' energy: -17.799
flat angles P-C4'-P energy: -16.588
tors. eta vs tors. theta energy: -13.190
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: 10
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -232.434801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.434801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.510648 (E_RNA)
where:
Base-Base interactions energy: -141.602
where: short stacking energy: -76.711
Base-Backbone interact. energy: -0.100
local terms energy: -90.808710
where:
bonds (distance) C4'-P energy: -20.572
bonds (distance) P-C4' energy: -17.943
flat angles C4'-P-C4' energy: -18.822
flat angles P-C4'-P energy: -12.900
tors. eta vs tors. theta energy: -20.572
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: 40
Temperature: 1.300000
Total energy: -204.753123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.753123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.881556 (E_RNA)
where:
Base-Base interactions energy: -129.552
where: short stacking energy: -62.062
Base-Backbone interact. energy: -0.698
local terms energy: -74.631340
where:
bonds (distance) C4'-P energy: -18.539
bonds (distance) P-C4' energy: -11.842
flat angles C4'-P-C4' energy: -20.602
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -12.893
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: 3
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -195.406476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.406476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.456581 (E_RNA)
where:
Base-Base interactions energy: -114.732
where: short stacking energy: -59.876
Base-Backbone interact. energy: -0.383
local terms energy: -80.342186
where:
bonds (distance) C4'-P energy: -18.443
bonds (distance) P-C4' energy: -23.895
flat angles C4'-P-C4' energy: -17.645
flat angles P-C4'-P energy: -11.694
tors. eta vs tors. theta energy: -8.666
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: 41
Temperature: 0.900000
Total energy: -309.211304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.211304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.241644 (E_RNA)
where:
Base-Base interactions energy: -194.444
where: short stacking energy: -106.518
Base-Backbone interact. energy: -0.102
local terms energy: -115.695906
where:
bonds (distance) C4'-P energy: -22.074
bonds (distance) P-C4' energy: -25.060
flat angles C4'-P-C4' energy: -22.696
flat angles P-C4'-P energy: -18.125
tors. eta vs tors. theta energy: -27.741
Dist. restrs. and SS energy: 1.030 (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: 41
Temperature: 0.950000
Total energy: -287.428903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.428903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.441264 (E_RNA)
where:
Base-Base interactions energy: -171.502
where: short stacking energy: -101.221
Base-Backbone interact. energy: -0.108
local terms energy: -115.831210
where:
bonds (distance) C4'-P energy: -20.584
bonds (distance) P-C4' energy: -24.859
flat angles C4'-P-C4' energy: -21.311
flat angles P-C4'-P energy: -15.463
tors. eta vs tors. theta energy: -33.614
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: 5
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -244.141689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.141689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.180571 (E_RNA)
where:
Base-Base interactions energy: -142.366
where: short stacking energy: -80.634
Base-Backbone interact. energy: -0.185
local terms energy: -101.630052
where:
bonds (distance) C4'-P energy: -21.822
bonds (distance) P-C4' energy: -22.256
flat angles C4'-P-C4' energy: -23.698
flat angles P-C4'-P energy: -14.713
tors. eta vs tors. theta energy: -19.141
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: 9
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -261.151035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.151035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.254787 (E_RNA)
where:
Base-Base interactions energy: -162.066
where: short stacking energy: -93.252
Base-Backbone interact. energy: -0.236
local terms energy: -98.952570
where:
bonds (distance) C4'-P energy: -22.914
bonds (distance) P-C4' energy: -16.295
flat angles C4'-P-C4' energy: -20.962
flat angles P-C4'-P energy: -12.990
tors. eta vs tors. theta energy: -25.791
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -248.548134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.548134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.790327 (E_RNA)
where:
Base-Base interactions energy: -151.559
where: short stacking energy: -85.002
Base-Backbone interact. energy: -0.348
local terms energy: -96.883391
where:
bonds (distance) C4'-P energy: -23.701
bonds (distance) P-C4' energy: -20.106
flat angles C4'-P-C4' energy: -24.103
flat angles P-C4'-P energy: -12.552
tors. eta vs tors. theta energy: -16.421
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: 6, replica: 2
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -237.765917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.765917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.765917 (E_RNA)
where:
Base-Base interactions energy: -143.202
where: short stacking energy: -76.464
Base-Backbone interact. energy: -0.235
local terms energy: -94.328997
where:
bonds (distance) C4'-P energy: -22.740
bonds (distance) P-C4' energy: -21.808
flat angles C4'-P-C4' energy: -19.515
flat angles P-C4'-P energy: -15.290
tors. eta vs tors. theta energy: -14.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -203.230088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.230088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.241377 (E_RNA)
where:
Base-Base interactions energy: -122.055
where: short stacking energy: -55.581
Base-Backbone interact. energy: -0.324
local terms energy: -80.862141
where:
bonds (distance) C4'-P energy: -20.681
bonds (distance) P-C4' energy: -21.627
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -15.168
tors. eta vs tors. theta energy: -8.218
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: 41
Temperature: 1.250000
Total energy: -212.790897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.790897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.904117 (E_RNA)
where:
Base-Base interactions energy: -124.356
where: short stacking energy: -67.216
Base-Backbone interact. energy: -0.131
local terms energy: -88.417725
where:
bonds (distance) C4'-P energy: -18.323
bonds (distance) P-C4' energy: -21.629
flat angles C4'-P-C4' energy: -19.383
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -16.337
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: 10
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -208.065353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.065353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.490745 (E_RNA)
where:
Base-Base interactions energy: -129.070
where: short stacking energy: -57.067
Base-Backbone interact. energy: 0.344
local terms energy: -79.764972
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -20.395
flat angles C4'-P-C4' energy: -19.361
flat angles P-C4'-P energy: -14.661
tors. eta vs tors. theta energy: -10.223
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: 10, replica: 3
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -212.675910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.675910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.478316 (E_RNA)
where:
Base-Base interactions energy: -137.879
where: short stacking energy: -68.354
Base-Backbone interact. energy: -0.028
local terms energy: -75.571855
where:
bonds (distance) C4'-P energy: -18.238
bonds (distance) P-C4' energy: -4.217
flat angles C4'-P-C4' energy: -22.036
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -19.999
Dist. restrs. and SS energy: 0.802 (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: 7
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -295.573004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.573004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.573004 (E_RNA)
where:
Base-Base interactions energy: -180.542
where: short stacking energy: -104.923
Base-Backbone interact. energy: -0.085
local terms energy: -114.946619
where:
bonds (distance) C4'-P energy: -19.686
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -24.628
flat angles P-C4'-P energy: -19.061
tors. eta vs tors. theta energy: -33.096
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: 2, replica: 1
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -300.059892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.059892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.074401 (E_RNA)
where:
Base-Base interactions energy: -182.231
where: short stacking energy: -98.933
Base-Backbone interact. energy: -0.217
local terms energy: -117.626252
where:
bonds (distance) C4'-P energy: -21.073
bonds (distance) P-C4' energy: -24.557
flat angles C4'-P-C4' energy: -26.832
flat angles P-C4'-P energy: -16.562
tors. eta vs tors. theta energy: -28.604
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: 42
Temperature: 1.000000
Total energy: -261.873199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.873199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.915619 (E_RNA)
where:
Base-Base interactions energy: -156.705
where: short stacking energy: -82.381
Base-Backbone interact. energy: -0.216
local terms energy: -105.994447
where:
bonds (distance) C4'-P energy: -23.949
bonds (distance) P-C4' energy: -24.290
flat angles C4'-P-C4' energy: -21.213
flat angles P-C4'-P energy: -17.973
tors. eta vs tors. theta energy: -18.569
Dist. restrs. and SS energy: 1.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -258.466479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.466479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.623020 (E_RNA)
where:
Base-Base interactions energy: -154.819
where: short stacking energy: -84.366
Base-Backbone interact. energy: -0.118
local terms energy: -103.686171
where:
bonds (distance) C4'-P energy: -21.710
bonds (distance) P-C4' energy: -19.715
flat angles C4'-P-C4' energy: -24.622
flat angles P-C4'-P energy: -13.153
tors. eta vs tors. theta energy: -24.487
Dist. restrs. and SS energy: 0.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -254.630792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.630792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.678526 (E_RNA)
where:
Base-Base interactions energy: -157.321
where: short stacking energy: -83.893
Base-Backbone interact. energy: -0.402
local terms energy: -96.955878
where:
bonds (distance) C4'-P energy: -18.360
bonds (distance) P-C4' energy: -23.372
flat angles C4'-P-C4' energy: -17.400
flat angles P-C4'-P energy: -13.691
tors. eta vs tors. theta energy: -24.133
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: 6
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -225.094915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.094915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.157452 (E_RNA)
where:
Base-Base interactions energy: -136.464
where: short stacking energy: -75.217
Base-Backbone interact. energy: -0.489
local terms energy: -88.204338
where:
bonds (distance) C4'-P energy: -11.703
bonds (distance) P-C4' energy: -22.428
flat angles C4'-P-C4' energy: -24.514
flat angles P-C4'-P energy: -11.989
tors. eta vs tors. theta energy: -17.571
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: 4
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -227.131779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.131779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.381630 (E_RNA)
where:
Base-Base interactions energy: -140.335
where: short stacking energy: -73.776
Base-Backbone interact. energy: -0.760
local terms energy: -86.286794
where:
bonds (distance) C4'-P energy: -21.042
bonds (distance) P-C4' energy: -21.788
flat angles C4'-P-C4' energy: -12.004
flat angles P-C4'-P energy: -12.994
tors. eta vs tors. theta energy: -18.459
Dist. restrs. and SS energy: 0.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -222.760596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.760596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.197351 (E_RNA)
where:
Base-Base interactions energy: -141.632
where: short stacking energy: -65.484
Base-Backbone interact. energy: 1.068
local terms energy: -83.633617
where:
bonds (distance) C4'-P energy: -19.156
bonds (distance) P-C4' energy: -17.597
flat angles C4'-P-C4' energy: -20.281
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -15.639
Dist. restrs. and SS energy: 1.437 (S_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: 42
Temperature: 1.300000
Total energy: -203.212859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.212859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.243695 (E_RNA)
where:
Base-Base interactions energy: -124.763
where: short stacking energy: -63.105
Base-Backbone interact. energy: -0.200
local terms energy: -78.280264
where:
bonds (distance) C4'-P energy: -20.515
bonds (distance) P-C4' energy: -19.595
flat angles C4'-P-C4' energy: -12.163
flat angles P-C4'-P energy: -13.021
tors. eta vs tors. theta energy: -12.987
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: 3
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -199.975819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.975819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.235546 (E_RNA)
where:
Base-Base interactions energy: -130.439
where: short stacking energy: -76.254
Base-Backbone interact. energy: 1.567
local terms energy: -71.363843
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -16.542
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: 1, replica: 7
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -305.761255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.761255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.781229 (E_RNA)
where:
Base-Base interactions energy: -183.645
where: short stacking energy: -113.319
Base-Backbone interact. energy: -0.107
local terms energy: -122.028403
where:
bonds (distance) C4'-P energy: -22.074
bonds (distance) P-C4' energy: -25.895
flat angles C4'-P-C4' energy: -23.184
flat angles P-C4'-P energy: -16.797
tors. eta vs tors. theta energy: -34.079
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: 5
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -271.602181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.602181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.250425 (E_RNA)
where:
Base-Base interactions energy: -167.612
where: short stacking energy: -93.170
Base-Backbone interact. energy: -0.169
local terms energy: -104.468784
where:
bonds (distance) C4'-P energy: -21.072
bonds (distance) P-C4' energy: -23.931
flat angles C4'-P-C4' energy: -20.573
flat angles P-C4'-P energy: -12.975
tors. eta vs tors. theta energy: -25.918
Dist. restrs. and SS energy: 0.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -273.339156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.339156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.346196 (E_RNA)
where:
Base-Base interactions energy: -163.100
where: short stacking energy: -91.811
Base-Backbone interact. energy: -0.097
local terms energy: -110.149443
where:
bonds (distance) C4'-P energy: -19.827
bonds (distance) P-C4' energy: -26.203
flat angles C4'-P-C4' energy: -23.573
flat angles P-C4'-P energy: -17.664
tors. eta vs tors. theta energy: -22.883
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: 9
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -262.928502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.928502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.119987 (E_RNA)
where:
Base-Base interactions energy: -168.152
where: short stacking energy: -85.622
Base-Backbone interact. energy: -0.311
local terms energy: -94.657529
where:
bonds (distance) C4'-P energy: -24.020
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -17.784
flat angles P-C4'-P energy: -13.621
tors. eta vs tors. theta energy: -21.219
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: 5, replica: 2
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -253.306219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.306219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.366761 (E_RNA)
where:
Base-Base interactions energy: -160.821
where: short stacking energy: -79.546
Base-Backbone interact. energy: -0.169
local terms energy: -93.376546
where:
bonds (distance) C4'-P energy: -20.880
bonds (distance) P-C4' energy: -19.709
flat angles C4'-P-C4' energy: -17.813
flat angles P-C4'-P energy: -15.220
tors. eta vs tors. theta energy: -19.754
Dist. restrs. and SS energy: 1.061 (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: 6
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -250.154821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.154821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.550740 (E_RNA)
where:
Base-Base interactions energy: -157.763
where: short stacking energy: -81.244
Base-Backbone interact. energy: -0.381
local terms energy: -94.406711
where:
bonds (distance) C4'-P energy: -11.044
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -23.796
flat angles P-C4'-P energy: -17.254
tors. eta vs tors. theta energy: -24.917
Dist. restrs. and SS energy: 2.396 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -228.379364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.379364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.520511 (E_RNA)
where:
Base-Base interactions energy: -137.838
where: short stacking energy: -75.475
Base-Backbone interact. energy: -0.154
local terms energy: -90.528561
where:
bonds (distance) C4'-P energy: -19.160
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -21.454
flat angles P-C4'-P energy: -16.043
tors. eta vs tors. theta energy: -16.961
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -215.422123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.422123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.767439 (E_RNA)
where:
Base-Base interactions energy: -125.373
where: short stacking energy: -62.677
Base-Backbone interact. energy: -0.014
local terms energy: -91.380924
where:
bonds (distance) C4'-P energy: -22.342
bonds (distance) P-C4' energy: -18.584
flat angles C4'-P-C4' energy: -19.358
flat angles P-C4'-P energy: -15.815
tors. eta vs tors. theta energy: -15.281
Dist. restrs. and SS energy: 1.345 (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: 8
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -216.335545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.335545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.289320 (E_RNA)
where:
Base-Base interactions energy: -141.896
where: short stacking energy: -66.221
Base-Backbone interact. energy: 2.023
local terms energy: -77.416616
where:
bonds (distance) C4'-P energy: -23.289
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -9.105
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -19.302
Dist. restrs. and SS energy: 0.954 (S_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: 43
Temperature: 1.350000
Total energy: -216.761560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.761560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.219104 (E_RNA)
where:
Base-Base interactions energy: -141.282
where: short stacking energy: -75.643
Base-Backbone interact. energy: 1.173
local terms energy: -78.110328
where:
bonds (distance) C4'-P energy: -19.623
bonds (distance) P-C4' energy: -17.944
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: -16.487
Dist. restrs. and SS energy: 1.458 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -318.847191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.847191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.894123 (E_RNA)
where:
Base-Base interactions energy: -201.671
where: short stacking energy: -123.394
Base-Backbone interact. energy: -0.036
local terms energy: -117.187126
where:
bonds (distance) C4'-P energy: -17.751
bonds (distance) P-C4' energy: -22.579
flat angles C4'-P-C4' energy: -23.768
flat angles P-C4'-P energy: -16.404
tors. eta vs tors. theta energy: -36.685
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: 5
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -272.826559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.826559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.343269 (E_RNA)
where:
Base-Base interactions energy: -167.161
where: short stacking energy: -90.664
Base-Backbone interact. energy: -0.089
local terms energy: -106.092402
where:
bonds (distance) C4'-P energy: -21.130
bonds (distance) P-C4' energy: -21.999
flat angles C4'-P-C4' energy: -23.428
flat angles P-C4'-P energy: -17.181
tors. eta vs tors. theta energy: -22.354
Dist. restrs. and SS energy: 0.517 (S_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: 44
Temperature: 1.000000
Total energy: -271.499956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.499956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.720429 (E_RNA)
where:
Base-Base interactions energy: -168.157
where: short stacking energy: -86.251
Base-Backbone interact. energy: -0.150
local terms energy: -103.414103
where:
bonds (distance) C4'-P energy: -27.232
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -22.179
flat angles P-C4'-P energy: -15.845
tors. eta vs tors. theta energy: -20.583
Dist. restrs. and SS energy: 0.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -272.255907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.255907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.446294 (E_RNA)
where:
Base-Base interactions energy: -179.492
where: short stacking energy: -101.592
Base-Backbone interact. energy: -0.123
local terms energy: -92.831059
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -24.326
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: -29.656
Dist. restrs. and SS energy: 0.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -249.195196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.195196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.256543 (E_RNA)
where:
Base-Base interactions energy: -146.423
where: short stacking energy: -81.497
Base-Backbone interact. energy: -0.222
local terms energy: -102.611645
where:
bonds (distance) C4'-P energy: -22.979
bonds (distance) P-C4' energy: -22.743
flat angles C4'-P-C4' energy: -21.866
flat angles P-C4'-P energy: -13.177
tors. eta vs tors. theta energy: -21.848
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: 2
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -230.505523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.505523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.415102 (E_RNA)
where:
Base-Base interactions energy: -146.153
where: short stacking energy: -72.148
Base-Backbone interact. energy: -0.558
local terms energy: -85.704516
where:
bonds (distance) C4'-P energy: -15.484
bonds (distance) P-C4' energy: -20.518
flat angles C4'-P-C4' energy: -21.536
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -18.765
Dist. restrs. and SS energy: 1.910 (S_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: 44
Temperature: 1.200000
Total energy: -225.605503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.605503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.743724 (E_RNA)
where:
Base-Base interactions energy: -144.204
where: short stacking energy: -79.303
Base-Backbone interact. energy: -0.153
local terms energy: -81.387064
where:
bonds (distance) C4'-P energy: -16.643
bonds (distance) P-C4' energy: -9.896
flat angles C4'-P-C4' energy: -20.203
flat angles P-C4'-P energy: -16.432
tors. eta vs tors. theta energy: -18.213
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -204.754820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.754820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.792356 (E_RNA)
where:
Base-Base interactions energy: -119.148
where: short stacking energy: -55.226
Base-Backbone interact. energy: -0.211
local terms energy: -85.433367
where:
bonds (distance) C4'-P energy: -19.296
bonds (distance) P-C4' energy: -18.432
flat angles C4'-P-C4' energy: -19.897
flat angles P-C4'-P energy: -15.739
tors. eta vs tors. theta energy: -12.069
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: 44
Temperature: 1.300000
Total energy: -209.265043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.265043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.279481 (E_RNA)
where:
Base-Base interactions energy: -128.970
where: short stacking energy: -65.255
Base-Backbone interact. energy: -0.359
local terms energy: -79.950586
where:
bonds (distance) C4'-P energy: -17.872
bonds (distance) P-C4' energy: -9.949
flat angles C4'-P-C4' energy: -23.038
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: -19.006
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: 8
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -197.149517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.149517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.356911 (E_RNA)
where:
Base-Base interactions energy: -124.544
where: short stacking energy: -63.117
Base-Backbone interact. energy: -0.262
local terms energy: -72.550720
where:
bonds (distance) C4'-P energy: -21.982
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: -12.160
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: 45
Temperature: 0.900000
Total energy: -302.081538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.081538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.216563 (E_RNA)
where:
Base-Base interactions energy: -178.622
where: short stacking energy: -101.912
Base-Backbone interact. energy: -1.548
local terms energy: -122.047033
where:
bonds (distance) C4'-P energy: -21.672
bonds (distance) P-C4' energy: -22.114
flat angles C4'-P-C4' energy: -25.202
flat angles P-C4'-P energy: -18.500
tors. eta vs tors. theta energy: -34.559
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: 9
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -284.290331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.290331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.134990 (E_RNA)
where:
Base-Base interactions energy: -180.927
where: short stacking energy: -94.191
Base-Backbone interact. energy: -0.080
local terms energy: -105.128251
where:
bonds (distance) C4'-P energy: -23.212
bonds (distance) P-C4' energy: -23.475
flat angles C4'-P-C4' energy: -20.375
flat angles P-C4'-P energy: -14.427
tors. eta vs tors. theta energy: -23.639
Dist. restrs. and SS energy: 1.845 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -275.974974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.974974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.076720 (E_RNA)
where:
Base-Base interactions energy: -161.013
where: short stacking energy: -97.189
Base-Backbone interact. energy: -0.163
local terms energy: -114.900565
where:
bonds (distance) C4'-P energy: -23.213
bonds (distance) P-C4' energy: -24.017
flat angles C4'-P-C4' energy: -20.622
flat angles P-C4'-P energy: -14.631
tors. eta vs tors. theta energy: -32.418
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: 45
Temperature: 1.050000
Total energy: -259.744557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.744557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.860948 (E_RNA)
where:
Base-Base interactions energy: -158.723
where: short stacking energy: -80.547
Base-Backbone interact. energy: 0.720
local terms energy: -101.858035
where:
bonds (distance) C4'-P energy: -18.221
bonds (distance) P-C4' energy: -22.362
flat angles C4'-P-C4' energy: -22.143
flat angles P-C4'-P energy: -21.348
tors. eta vs tors. theta energy: -17.784
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: 6
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -252.266797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.266797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.284112 (E_RNA)
where:
Base-Base interactions energy: -150.755
where: short stacking energy: -80.575
Base-Backbone interact. energy: -0.020
local terms energy: -101.509428
where:
bonds (distance) C4'-P energy: -18.370
bonds (distance) P-C4' energy: -25.600
flat angles C4'-P-C4' energy: -20.775
flat angles P-C4'-P energy: -16.205
tors. eta vs tors. theta energy: -20.560
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: 45
Temperature: 1.150000
Total energy: -268.054941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.054941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.304615 (E_RNA)
where:
Base-Base interactions energy: -169.980
where: short stacking energy: -82.157
Base-Backbone interact. energy: 1.165
local terms energy: -101.490443
where:
bonds (distance) C4'-P energy: -21.972
bonds (distance) P-C4' energy: -25.290
flat angles C4'-P-C4' energy: -21.095
flat angles P-C4'-P energy: -7.685
tors. eta vs tors. theta energy: -25.448
Dist. restrs. and SS energy: 2.250 (S_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: -232.219615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.219615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.286286 (E_RNA)
where:
Base-Base interactions energy: -141.495
where: short stacking energy: -74.537
Base-Backbone interact. energy: -0.274
local terms energy: -90.517535
where:
bonds (distance) C4'-P energy: -18.441
bonds (distance) P-C4' energy: -22.415
flat angles C4'-P-C4' energy: -19.898
flat angles P-C4'-P energy: -14.038
tors. eta vs tors. theta energy: -15.726
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: 3
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -222.236455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.236455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.363872 (E_RNA)
where:
Base-Base interactions energy: -133.406
where: short stacking energy: -66.454
Base-Backbone interact. energy: -1.253
local terms energy: -87.704263
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -23.512
flat angles C4'-P-C4' energy: -21.882
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: -14.202
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: 45
Temperature: 1.300000
Total energy: -214.912729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.912729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.112669 (E_RNA)
where:
Base-Base interactions energy: -124.083
where: short stacking energy: -70.932
Base-Backbone interact. energy: -0.042
local terms energy: -91.987103
where:
bonds (distance) C4'-P energy: -23.706
bonds (distance) P-C4' energy: -17.908
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -14.985
tors. eta vs tors. theta energy: -19.430
Dist. restrs. and SS energy: 1.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -207.496521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.496521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.847866 (E_RNA)
where:
Base-Base interactions energy: -119.707
where: short stacking energy: -59.657
Base-Backbone interact. energy: 0.694
local terms energy: -88.834948
where:
bonds (distance) C4'-P energy: -26.145
bonds (distance) P-C4' energy: -19.805
flat angles C4'-P-C4' energy: -18.494
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: -12.330
Dist. restrs. and SS energy: 0.351 (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: 7
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -300.578667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.578667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.805073 (E_RNA)
where:
Base-Base interactions energy: -186.970
where: short stacking energy: -109.160
Base-Backbone interact. energy: -2.451
local terms energy: -111.384226
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -23.330
flat angles C4'-P-C4' energy: -20.126
flat angles P-C4'-P energy: -18.544
tors. eta vs tors. theta energy: -31.503
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: 2, replica: 9
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -286.092230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.092230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.521909 (E_RNA)
where:
Base-Base interactions energy: -180.072
where: short stacking energy: -87.744
Base-Backbone interact. energy: -0.092
local terms energy: -107.357107
where:
bonds (distance) C4'-P energy: -22.335
bonds (distance) P-C4' energy: -22.989
flat angles C4'-P-C4' energy: -19.333
flat angles P-C4'-P energy: -13.361
tors. eta vs tors. theta energy: -29.339
Dist. restrs. and SS energy: 1.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -293.141932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.141932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.145639 (E_RNA)
where:
Base-Base interactions energy: -175.774
where: short stacking energy: -103.851
Base-Backbone interact. energy: -0.002
local terms energy: -117.370257
where:
bonds (distance) C4'-P energy: -21.023
bonds (distance) P-C4' energy: -20.789
flat angles C4'-P-C4' energy: -24.377
flat angles P-C4'-P energy: -17.381
tors. eta vs tors. theta energy: -33.801
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: 5
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -249.552715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.552715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.628290 (E_RNA)
where:
Base-Base interactions energy: -150.311
where: short stacking energy: -75.259
Base-Backbone interact. energy: -1.204
local terms energy: -98.113013
where:
bonds (distance) C4'-P energy: -22.893
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -20.316
flat angles P-C4'-P energy: -14.372
tors. eta vs tors. theta energy: -23.450
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: 2
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -250.762121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.762121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.595471 (E_RNA)
where:
Base-Base interactions energy: -151.231
where: short stacking energy: -83.561
Base-Backbone interact. energy: -0.236
local terms energy: -101.127770
where:
bonds (distance) C4'-P energy: -20.105
bonds (distance) P-C4' energy: -22.306
flat angles C4'-P-C4' energy: -19.095
flat angles P-C4'-P energy: -17.001
tors. eta vs tors. theta energy: -22.621
Dist. restrs. and SS energy: 1.833 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -244.153517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.153517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.156816 (E_RNA)
where:
Base-Base interactions energy: -144.904
where: short stacking energy: -76.597
Base-Backbone interact. energy: -0.072
local terms energy: -99.180099
where:
bonds (distance) C4'-P energy: -22.328
bonds (distance) P-C4' energy: -19.640
flat angles C4'-P-C4' energy: -19.224
flat angles P-C4'-P energy: -14.990
tors. eta vs tors. theta energy: -22.999
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: 46
Temperature: 1.200000
Total energy: -219.988046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.988046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.009896 (E_RNA)
where:
Base-Base interactions energy: -139.129
where: short stacking energy: -62.354
Base-Backbone interact. energy: 0.180
local terms energy: -81.060430
where:
bonds (distance) C4'-P energy: -16.059
bonds (distance) P-C4' energy: -21.845
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -17.388
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: 46
Temperature: 1.250000
Total energy: -235.477278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.477278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.513360 (E_RNA)
where:
Base-Base interactions energy: -145.567
where: short stacking energy: -80.652
Base-Backbone interact. energy: -0.258
local terms energy: -89.688140
where:
bonds (distance) C4'-P energy: -17.329
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -23.170
flat angles P-C4'-P energy: -14.139
tors. eta vs tors. theta energy: -21.374
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -205.774460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.774460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.926963 (E_RNA)
where:
Base-Base interactions energy: -118.769
where: short stacking energy: -60.803
Base-Backbone interact. energy: -0.002
local terms energy: -87.155897
where:
bonds (distance) C4'-P energy: -19.114
bonds (distance) P-C4' energy: -22.095
flat angles C4'-P-C4' energy: -21.385
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -14.951
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: 10, replica: 10
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -213.021123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.021123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.021123 (E_RNA)
where:
Base-Base interactions energy: -136.272
where: short stacking energy: -66.164
Base-Backbone interact. energy: -0.197
local terms energy: -76.552620
where:
bonds (distance) C4'-P energy: -9.860
bonds (distance) P-C4' energy: -18.004
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -16.044
tors. eta vs tors. theta energy: -16.223
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -298.114673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.114673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.261559 (E_RNA)
where:
Base-Base interactions energy: -190.785
where: short stacking energy: -103.764
Base-Backbone interact. energy: -0.367
local terms energy: -107.109682
where:
bonds (distance) C4'-P energy: -19.764
bonds (distance) P-C4' energy: -22.278
flat angles C4'-P-C4' energy: -20.220
flat angles P-C4'-P energy: -15.949
tors. eta vs tors. theta energy: -28.898
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: 2, replica: 1
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -294.402008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.402008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.508749 (E_RNA)
where:
Base-Base interactions energy: -177.024
where: short stacking energy: -105.183
Base-Backbone interact. energy: -0.071
local terms energy: -117.413337
where:
bonds (distance) C4'-P energy: -21.385
bonds (distance) P-C4' energy: -26.321
flat angles C4'-P-C4' energy: -24.118
flat angles P-C4'-P energy: -13.556
tors. eta vs tors. theta energy: -32.033
Dist. restrs. and SS energy: 0.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -276.011512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.011512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.406169 (E_RNA)
where:
Base-Base interactions energy: -177.631
where: short stacking energy: -90.726
Base-Backbone interact. energy: -0.707
local terms energy: -98.067673
where:
bonds (distance) C4'-P energy: -19.863
bonds (distance) P-C4' energy: -22.238
flat angles C4'-P-C4' energy: -20.544
flat angles P-C4'-P energy: -14.699
tors. eta vs tors. theta energy: -20.723
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: 4, replica: 2
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -247.611067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.611067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.717053 (E_RNA)
where:
Base-Base interactions energy: -151.495
where: short stacking energy: -82.219
Base-Backbone interact. energy: -0.104
local terms energy: -96.117340
where:
bonds (distance) C4'-P energy: -19.675
bonds (distance) P-C4' energy: -24.707
flat angles C4'-P-C4' energy: -19.991
flat angles P-C4'-P energy: -14.276
tors. eta vs tors. theta energy: -17.468
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: 5
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -254.344579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.344579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.457749 (E_RNA)
where:
Base-Base interactions energy: -156.711
where: short stacking energy: -83.675
Base-Backbone interact. energy: -0.070
local terms energy: -97.676776
where:
bonds (distance) C4'-P energy: -18.683
bonds (distance) P-C4' energy: -20.511
flat angles C4'-P-C4' energy: -21.772
flat angles P-C4'-P energy: -13.351
tors. eta vs tors. theta energy: -23.360
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -234.267187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.267187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.380930 (E_RNA)
where:
Base-Base interactions energy: -137.110
where: short stacking energy: -77.874
Base-Backbone interact. energy: -0.365
local terms energy: -96.905870
where:
bonds (distance) C4'-P energy: -19.351
bonds (distance) P-C4' energy: -16.974
flat angles C4'-P-C4' energy: -27.998
flat angles P-C4'-P energy: -13.353
tors. eta vs tors. theta energy: -19.230
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: 3
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -222.738386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.738386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.983859 (E_RNA)
where:
Base-Base interactions energy: -132.444
where: short stacking energy: -62.011
Base-Backbone interact. energy: -0.649
local terms energy: -89.891235
where:
bonds (distance) C4'-P energy: -19.185
bonds (distance) P-C4' energy: -20.049
flat angles C4'-P-C4' energy: -15.474
flat angles P-C4'-P energy: -16.154
tors. eta vs tors. theta energy: -19.030
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: 8, replica: 8
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -211.532072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.532072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.596578 (E_RNA)
where:
Base-Base interactions energy: -121.464
where: short stacking energy: -57.128
Base-Backbone interact. energy: 2.109
local terms energy: -92.242261
where:
bonds (distance) C4'-P energy: -21.397
bonds (distance) P-C4' energy: -20.441
flat angles C4'-P-C4' energy: -24.899
flat angles P-C4'-P energy: -14.568
tors. eta vs tors. theta energy: -10.937
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -206.737705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.737705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.969072 (E_RNA)
where:
Base-Base interactions energy: -135.627
where: short stacking energy: -64.475
Base-Backbone interact. energy: -0.214
local terms energy: -71.127244
where:
bonds (distance) C4'-P energy: -21.151
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -6.199
tors. eta vs tors. theta energy: -10.421
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: 10, replica: 10
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -199.355006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.355006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.054218 (E_RNA)
where:
Base-Base interactions energy: -118.405
where: short stacking energy: -52.290
Base-Backbone interact. energy: -0.334
local terms energy: -83.315166
where:
bonds (distance) C4'-P energy: -20.038
bonds (distance) P-C4' energy: -22.928
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -15.133
tors. eta vs tors. theta energy: -9.689
Dist. restrs. and SS energy: 2.699 (S_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: 48
Temperature: 0.900000
Total energy: -322.589320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.589320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.794739 (E_RNA)
where:
Base-Base interactions energy: -199.740
where: short stacking energy: -125.794
Base-Backbone interact. energy: -1.629
local terms energy: -121.425461
where:
bonds (distance) C4'-P energy: -18.804
bonds (distance) P-C4' energy: -21.303
flat angles C4'-P-C4' energy: -29.099
flat angles P-C4'-P energy: -14.346
tors. eta vs tors. theta energy: -37.874
Dist. restrs. and SS energy: 0.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -292.323579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.323579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.441629 (E_RNA)
where:
Base-Base interactions energy: -179.752
where: short stacking energy: -113.928
Base-Backbone interact. energy: 0.706
local terms energy: -113.395625
where:
bonds (distance) C4'-P energy: -21.404
bonds (distance) P-C4' energy: -20.954
flat angles C4'-P-C4' energy: -24.305
flat angles P-C4'-P energy: -15.815
tors. eta vs tors. theta energy: -30.918
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -282.506565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.506565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.576953 (E_RNA)
where:
Base-Base interactions energy: -164.763
where: short stacking energy: -97.568
Base-Backbone interact. energy: -0.165
local terms energy: -117.648942
where:
bonds (distance) C4'-P energy: -22.902
bonds (distance) P-C4' energy: -23.600
flat angles C4'-P-C4' energy: -27.333
flat angles P-C4'-P energy: -15.300
tors. eta vs tors. theta energy: -28.515
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: 2
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -282.437312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.437312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.555586 (E_RNA)
where:
Base-Base interactions energy: -167.696
where: short stacking energy: -103.487
Base-Backbone interact. energy: -1.070
local terms energy: -113.789665
where:
bonds (distance) C4'-P energy: -24.933
bonds (distance) P-C4' energy: -21.106
flat angles C4'-P-C4' energy: -20.874
flat angles P-C4'-P energy: -16.302
tors. eta vs tors. theta energy: -30.576
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: 5, replica: 5
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -242.050068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.050068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.540492 (E_RNA)
where:
Base-Base interactions energy: -145.375
where: short stacking energy: -81.682
Base-Backbone interact. energy: -0.608
local terms energy: -96.557279
where:
bonds (distance) C4'-P energy: -20.773
bonds (distance) P-C4' energy: -19.322
flat angles C4'-P-C4' energy: -23.375
flat angles P-C4'-P energy: -13.786
tors. eta vs tors. theta energy: -19.302
Dist. restrs. and SS energy: 0.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -234.931704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.931704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.370169 (E_RNA)
where:
Base-Base interactions energy: -145.307
where: short stacking energy: -80.646
Base-Backbone interact. energy: -0.125
local terms energy: -89.937808
where:
bonds (distance) C4'-P energy: -18.323
bonds (distance) P-C4' energy: -19.285
flat angles C4'-P-C4' energy: -17.657
flat angles P-C4'-P energy: -16.011
tors. eta vs tors. theta energy: -18.661
Dist. restrs. and SS energy: 0.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -222.959814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.959814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.003633 (E_RNA)
where:
Base-Base interactions energy: -132.092
where: short stacking energy: -69.643
Base-Backbone interact. energy: -0.107
local terms energy: -90.804826
where:
bonds (distance) C4'-P energy: -12.288
bonds (distance) P-C4' energy: -23.549
flat angles C4'-P-C4' energy: -21.447
flat angles P-C4'-P energy: -15.938
tors. eta vs tors. theta energy: -17.583
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: 3
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -211.406123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.406123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.866287 (E_RNA)
where:
Base-Base interactions energy: -136.276
where: short stacking energy: -71.008
Base-Backbone interact. energy: -0.244
local terms energy: -75.345863
where:
bonds (distance) C4'-P energy: -12.428
bonds (distance) P-C4' energy: -17.697
flat angles C4'-P-C4' energy: -19.605
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -17.452
Dist. restrs. and SS energy: 0.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -219.025717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.025717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.056264 (E_RNA)
where:
Base-Base interactions energy: -130.940
where: short stacking energy: -66.461
Base-Backbone interact. energy: -0.136
local terms energy: -87.979659
where:
bonds (distance) C4'-P energy: -20.071
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -24.924
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -12.667
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: 10, replica: 10
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -197.093354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.093354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.433185 (E_RNA)
where:
Base-Base interactions energy: -118.977
where: short stacking energy: -53.278
Base-Backbone interact. energy: -0.461
local terms energy: -77.995007
where:
bonds (distance) C4'-P energy: -16.030
bonds (distance) P-C4' energy: -23.040
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -15.079
tors. eta vs tors. theta energy: -8.187
Dist. restrs. and SS energy: 0.340 (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: 49
Temperature: 0.900000
Total energy: -308.776932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.776932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.832674 (E_RNA)
where:
Base-Base interactions energy: -192.427
where: short stacking energy: -123.582
Base-Backbone interact. energy: -0.002
local terms energy: -116.404084
where:
bonds (distance) C4'-P energy: -18.423
bonds (distance) P-C4' energy: -20.082
flat angles C4'-P-C4' energy: -24.400
flat angles P-C4'-P energy: -18.062
tors. eta vs tors. theta energy: -35.437
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: 9
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -294.683754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.683754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.179299 (E_RNA)
where:
Base-Base interactions energy: -180.503
where: short stacking energy: -104.058
Base-Backbone interact. energy: -0.154
local terms energy: -114.523260
where:
bonds (distance) C4'-P energy: -23.634
bonds (distance) P-C4' energy: -24.831
flat angles C4'-P-C4' energy: -23.821
flat angles P-C4'-P energy: -15.089
tors. eta vs tors. theta energy: -27.147
Dist. restrs. and SS energy: 0.496 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -287.124164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.124164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.132861 (E_RNA)
where:
Base-Base interactions energy: -170.182
where: short stacking energy: -99.938
Base-Backbone interact. energy: -0.020
local terms energy: -116.931170
where:
bonds (distance) C4'-P energy: -22.645
bonds (distance) P-C4' energy: -21.374
flat angles C4'-P-C4' energy: -24.001
flat angles P-C4'-P energy: -16.335
tors. eta vs tors. theta energy: -32.576
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -268.453297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.453297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.544155 (E_RNA)
where:
Base-Base interactions energy: -156.861
where: short stacking energy: -98.368
Base-Backbone interact. energy: -0.099
local terms energy: -111.584716
where:
bonds (distance) C4'-P energy: -20.766
bonds (distance) P-C4' energy: -24.552
flat angles C4'-P-C4' energy: -23.207
flat angles P-C4'-P energy: -13.903
tors. eta vs tors. theta energy: -29.157
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: 5
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -244.041919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.041919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.168369 (E_RNA)
where:
Base-Base interactions energy: -145.876
where: short stacking energy: -78.402
Base-Backbone interact. energy: -0.089
local terms energy: -98.202879
where:
bonds (distance) C4'-P energy: -17.346
bonds (distance) P-C4' energy: -20.964
flat angles C4'-P-C4' energy: -19.723
flat angles P-C4'-P energy: -21.080
tors. eta vs tors. theta energy: -19.090
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: 8
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -223.340213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.340213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.487940 (E_RNA)
where:
Base-Base interactions energy: -130.677
where: short stacking energy: -63.711
Base-Backbone interact. energy: -0.764
local terms energy: -93.046860
where:
bonds (distance) C4'-P energy: -19.873
bonds (distance) P-C4' energy: -19.213
flat angles C4'-P-C4' energy: -20.692
flat angles P-C4'-P energy: -18.750
tors. eta vs tors. theta energy: -14.519
Dist. restrs. and SS energy: 1.148 (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: 6
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -237.096436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.096436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.125406 (E_RNA)
where:
Base-Base interactions energy: -139.142
where: short stacking energy: -68.862
Base-Backbone interact. energy: -0.480
local terms energy: -97.504248
where:
bonds (distance) C4'-P energy: -25.379
bonds (distance) P-C4' energy: -24.724
flat angles C4'-P-C4' energy: -20.491
flat angles P-C4'-P energy: -13.386
tors. eta vs tors. theta energy: -13.525
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: 3
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -217.744234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.744234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.882480 (E_RNA)
where:
Base-Base interactions energy: -127.643
where: short stacking energy: -67.071
Base-Backbone interact. energy: 1.484
local terms energy: -91.723437
where:
bonds (distance) C4'-P energy: -19.993
bonds (distance) P-C4' energy: -20.862
flat angles C4'-P-C4' energy: -19.083
flat angles P-C4'-P energy: -17.195
tors. eta vs tors. theta energy: -14.590
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: 4
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -200.621271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.621271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.670441 (E_RNA)
where:
Base-Base interactions energy: -116.866
where: short stacking energy: -53.766
Base-Backbone interact. energy: -0.714
local terms energy: -83.090593
where:
bonds (distance) C4'-P energy: -23.127
bonds (distance) P-C4' energy: -19.027
flat angles C4'-P-C4' energy: -23.160
flat angles P-C4'-P energy: -3.578
tors. eta vs tors. theta energy: -14.199
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -220.221992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.221992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.221992 (E_RNA)
where:
Base-Base interactions energy: -135.581
where: short stacking energy: -68.497
Base-Backbone interact. energy: -0.480
local terms energy: -84.161063
where:
bonds (distance) C4'-P energy: -21.900
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -18.371
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -16.501
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -317.662127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.662127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.662127 (E_RNA)
where:
Base-Base interactions energy: -197.766
where: short stacking energy: -122.404
Base-Backbone interact. energy: 0.218
local terms energy: -120.113880
where:
bonds (distance) C4'-P energy: -21.010
bonds (distance) P-C4' energy: -22.595
flat angles C4'-P-C4' energy: -22.440
flat angles P-C4'-P energy: -19.381
tors. eta vs tors. theta energy: -34.688
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -287.936273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.936273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.979988 (E_RNA)
where:
Base-Base interactions energy: -176.492
where: short stacking energy: -97.948
Base-Backbone interact. energy: -0.141
local terms energy: -112.347010
where:
bonds (distance) C4'-P energy: -20.141
bonds (distance) P-C4' energy: -24.010
flat angles C4'-P-C4' energy: -25.357
flat angles P-C4'-P energy: -15.391
tors. eta vs tors. theta energy: -27.448
Dist. restrs. and SS energy: 1.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -276.797568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.797568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.474936 (E_RNA)
where:
Base-Base interactions energy: -175.375
where: short stacking energy: -95.846
Base-Backbone interact. energy: -0.465
local terms energy: -102.635604
where:
bonds (distance) C4'-P energy: -21.337
bonds (distance) P-C4' energy: -22.652
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -14.022
tors. eta vs tors. theta energy: -28.528
Dist. restrs. and SS energy: 1.677 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -249.776248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.776248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.823533 (E_RNA)
where:
Base-Base interactions energy: -152.840
where: short stacking energy: -86.484
Base-Backbone interact. energy: 1.223
local terms energy: -98.206696
where:
bonds (distance) C4'-P energy: -20.593
bonds (distance) P-C4' energy: -17.994
flat angles C4'-P-C4' energy: -24.270
flat angles P-C4'-P energy: -14.760
tors. eta vs tors. theta energy: -20.590
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: 8
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -233.885140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.885140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.078487 (E_RNA)
where:
Base-Base interactions energy: -147.689
where: short stacking energy: -71.295
Base-Backbone interact. energy: -0.864
local terms energy: -85.525213
where:
bonds (distance) C4'-P energy: -20.494
bonds (distance) P-C4' energy: -18.906
flat angles C4'-P-C4' energy: -21.893
flat angles P-C4'-P energy: -13.386
tors. eta vs tors. theta energy: -10.847
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: 6, replica: 5
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -241.399375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.399375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.436471 (E_RNA)
where:
Base-Base interactions energy: -139.018
where: short stacking energy: -76.775
Base-Backbone interact. energy: 1.130
local terms energy: -103.548600
where:
bonds (distance) C4'-P energy: -22.025
bonds (distance) P-C4' energy: -22.396
flat angles C4'-P-C4' energy: -27.391
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -18.473
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: 3
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -241.548678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.548678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.359164 (E_RNA)
where:
Base-Base interactions energy: -160.736
where: short stacking energy: -89.302
Base-Backbone interact. energy: -0.000
local terms energy: -81.622885
where:
bonds (distance) C4'-P energy: -15.496
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -17.922
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -21.619
Dist. restrs. and SS energy: 0.810 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -227.064828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.064828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.188482 (E_RNA)
where:
Base-Base interactions energy: -140.870
where: short stacking energy: -67.479
Base-Backbone interact. energy: -0.588
local terms energy: -85.730509
where:
bonds (distance) C4'-P energy: -22.061
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -19.421
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -13.536
Dist. restrs. and SS energy: 0.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -202.581040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.581040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.655753 (E_RNA)
where:
Base-Base interactions energy: -123.430
where: short stacking energy: -62.702
Base-Backbone interact. energy: -0.262
local terms energy: -78.963552
where:
bonds (distance) C4'-P energy: -19.826
bonds (distance) P-C4' energy: -19.393
flat angles C4'-P-C4' energy: -21.238
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -8.410
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: 50
Temperature: 1.350000
Total energy: -217.330690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.330690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.351509 (E_RNA)
where:
Base-Base interactions energy: -138.203
where: short stacking energy: -69.778
Base-Backbone interact. energy: -0.079
local terms energy: -79.068651
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -21.689
flat angles C4'-P-C4' energy: -17.800
flat angles P-C4'-P energy: -12.494
tors. eta vs tors. theta energy: -14.490
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: 51
Temperature: 0.900000
Total energy: -312.862660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.862660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.862660 (E_RNA)
where:
Base-Base interactions energy: -191.234
where: short stacking energy: -108.377
Base-Backbone interact. energy: -0.114
local terms energy: -121.514957
where:
bonds (distance) C4'-P energy: -22.141
bonds (distance) P-C4' energy: -24.002
flat angles C4'-P-C4' energy: -27.322
flat angles P-C4'-P energy: -15.239
tors. eta vs tors. theta energy: -32.810
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -288.265352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.265352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.750014 (E_RNA)
where:
Base-Base interactions energy: -185.662
where: short stacking energy: -92.666
Base-Backbone interact. energy: -0.101
local terms energy: -102.987237
where:
bonds (distance) C4'-P energy: -23.739
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -19.364
flat angles P-C4'-P energy: -16.976
tors. eta vs tors. theta energy: -27.636
Dist. restrs. and SS energy: 0.485 (S_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: 51
Temperature: 1.000000
Total energy: -271.706796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.706796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.356643 (E_RNA)
where:
Base-Base interactions energy: -169.128
where: short stacking energy: -84.520
Base-Backbone interact. energy: -0.081
local terms energy: -103.147222
where:
bonds (distance) C4'-P energy: -21.099
bonds (distance) P-C4' energy: -17.754
flat angles C4'-P-C4' energy: -19.133
flat angles P-C4'-P energy: -18.901
tors. eta vs tors. theta energy: -26.260
Dist. restrs. and SS energy: 0.650 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -243.156318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.156318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.156318 (E_RNA)
where:
Base-Base interactions energy: -141.576
where: short stacking energy: -73.982
Base-Backbone interact. energy: -0.256
local terms energy: -101.323844
where:
bonds (distance) C4'-P energy: -21.905
bonds (distance) P-C4' energy: -20.283
flat angles C4'-P-C4' energy: -26.899
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -20.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -259.213238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.213238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.218345 (E_RNA)
where:
Base-Base interactions energy: -161.957
where: short stacking energy: -94.118
Base-Backbone interact. energy: -0.067
local terms energy: -97.194003
where:
bonds (distance) C4'-P energy: -19.358
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -23.575
flat angles P-C4'-P energy: -8.946
tors. eta vs tors. theta energy: -28.786
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -237.798139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.798139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.582181 (E_RNA)
where:
Base-Base interactions energy: -154.659
where: short stacking energy: -78.226
Base-Backbone interact. energy: -0.622
local terms energy: -85.301926
where:
bonds (distance) C4'-P energy: -16.373
bonds (distance) P-C4' energy: -18.872
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -14.458
tors. eta vs tors. theta energy: -18.328
Dist. restrs. and SS energy: 2.784 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -230.422054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.422054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.474188 (E_RNA)
where:
Base-Base interactions energy: -133.736
where: short stacking energy: -60.276
Base-Backbone interact. energy: -0.401
local terms energy: -96.337083
where:
bonds (distance) C4'-P energy: -22.125
bonds (distance) P-C4' energy: -20.047
flat angles C4'-P-C4' energy: -23.685
flat angles P-C4'-P energy: -14.226
tors. eta vs tors. theta energy: -16.254
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: 51
Temperature: 1.250000
Total energy: -218.501256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.501256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.798934 (E_RNA)
where:
Base-Base interactions energy: -129.327
where: short stacking energy: -66.809
Base-Backbone interact. energy: -0.026
local terms energy: -89.445943
where:
bonds (distance) C4'-P energy: -19.363
bonds (distance) P-C4' energy: -21.857
flat angles C4'-P-C4' energy: -20.250
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -16.953
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: 9, replica: 10
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -205.429086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.429086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.522192 (E_RNA)
where:
Base-Base interactions energy: -126.279
where: short stacking energy: -63.861
Base-Backbone interact. energy: -0.196
local terms energy: -79.047431
where:
bonds (distance) C4'-P energy: -21.454
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -20.108
flat angles P-C4'-P energy: -13.137
tors. eta vs tors. theta energy: -6.152
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: 51
Temperature: 1.350000
Total energy: -195.070395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.070395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.070395 (E_RNA)
where:
Base-Base interactions energy: -121.746
where: short stacking energy: -51.069
Base-Backbone interact. energy: -0.341
local terms energy: -72.983233
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -22.080
flat angles C4'-P-C4' energy: -18.427
flat angles P-C4'-P energy: -8.370
tors. eta vs tors. theta energy: -7.284
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -310.253895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.253895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.253895 (E_RNA)
where:
Base-Base interactions energy: -189.069
where: short stacking energy: -110.672
Base-Backbone interact. energy: -0.000
local terms energy: -121.184221
where:
bonds (distance) C4'-P energy: -22.932
bonds (distance) P-C4' energy: -24.672
flat angles C4'-P-C4' energy: -25.862
flat angles P-C4'-P energy: -14.055
tors. eta vs tors. theta energy: -33.663
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: 2, replica: 1
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -297.996974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.996974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.812162 (E_RNA)
where:
Base-Base interactions energy: -178.963
where: short stacking energy: -100.983
Base-Backbone interact. energy: -0.393
local terms energy: -120.456152
where:
bonds (distance) C4'-P energy: -22.093
bonds (distance) P-C4' energy: -25.057
flat angles C4'-P-C4' energy: -24.222
flat angles P-C4'-P energy: -18.169
tors. eta vs tors. theta energy: -30.916
Dist. restrs. and SS energy: 1.815 (S_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: 52
Temperature: 1.000000
Total energy: -285.311861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.311861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.327915 (E_RNA)
where:
Base-Base interactions energy: -184.643
where: short stacking energy: -99.213
Base-Backbone interact. energy: -0.437
local terms energy: -100.248466
where:
bonds (distance) C4'-P energy: -22.981
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -22.752
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -27.262
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: 8
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -239.239694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.239694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.301542 (E_RNA)
where:
Base-Base interactions energy: -155.910
where: short stacking energy: -88.931
Base-Backbone interact. energy: -0.731
local terms energy: -82.660587
where:
bonds (distance) C4'-P energy: -16.932
bonds (distance) P-C4' energy: -15.407
flat angles C4'-P-C4' energy: -18.434
flat angles P-C4'-P energy: -13.522
tors. eta vs tors. theta energy: -18.365
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: 3
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -243.372791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.372791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.452734 (E_RNA)
where:
Base-Base interactions energy: -143.552
where: short stacking energy: -82.739
Base-Backbone interact. energy: -0.189
local terms energy: -99.711539
where:
bonds (distance) C4'-P energy: -20.286
bonds (distance) P-C4' energy: -20.107
flat angles C4'-P-C4' energy: -23.086
flat angles P-C4'-P energy: -17.824
tors. eta vs tors. theta energy: -18.408
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -242.956907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.956907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.018348 (E_RNA)
where:
Base-Base interactions energy: -140.341
where: short stacking energy: -71.401
Base-Backbone interact. energy: -0.656
local terms energy: -102.020739
where:
bonds (distance) C4'-P energy: -23.114
bonds (distance) P-C4' energy: -22.720
flat angles C4'-P-C4' energy: -23.541
flat angles P-C4'-P energy: -14.520
tors. eta vs tors. theta energy: -18.126
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: 6
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -226.814155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.814155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.965734 (E_RNA)
where:
Base-Base interactions energy: -137.493
where: short stacking energy: -74.233
Base-Backbone interact. energy: -0.012
local terms energy: -89.460960
where:
bonds (distance) C4'-P energy: -18.609
bonds (distance) P-C4' energy: -23.487
flat angles C4'-P-C4' energy: -22.567
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -14.446
Dist. restrs. and SS energy: 0.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -232.010960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.010960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.039672 (E_RNA)
where:
Base-Base interactions energy: -146.522
where: short stacking energy: -66.851
Base-Backbone interact. energy: -0.370
local terms energy: -86.147978
where:
bonds (distance) C4'-P energy: -15.479
bonds (distance) P-C4' energy: -23.449
flat angles C4'-P-C4' energy: -18.012
flat angles P-C4'-P energy: -16.109
tors. eta vs tors. theta energy: -13.100
Dist. restrs. and SS energy: 1.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -234.557947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.557947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.719500 (E_RNA)
where:
Base-Base interactions energy: -138.167
where: short stacking energy: -71.976
Base-Backbone interact. energy: -0.143
local terms energy: -98.409130
where:
bonds (distance) C4'-P energy: -24.110
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -19.681
flat angles P-C4'-P energy: -13.576
tors. eta vs tors. theta energy: -24.331
Dist. restrs. and SS energy: 2.162 (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: 10
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -195.112207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.112207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.201358 (E_RNA)
where:
Base-Base interactions energy: -119.573
where: short stacking energy: -61.353
Base-Backbone interact. energy: 0.002
local terms energy: -75.629920
where:
bonds (distance) C4'-P energy: -13.078
bonds (distance) P-C4' energy: -23.996
flat angles C4'-P-C4' energy: -21.349
flat angles P-C4'-P energy: -6.147
tors. eta vs tors. theta energy: -11.060
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -313.531489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.531489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.550957 (E_RNA)
where:
Base-Base interactions energy: -193.224
where: short stacking energy: -110.031
Base-Backbone interact. energy: -0.394
local terms energy: -119.933272
where:
bonds (distance) C4'-P energy: -23.603
bonds (distance) P-C4' energy: -22.754
flat angles C4'-P-C4' energy: -24.866
flat angles P-C4'-P energy: -17.406
tors. eta vs tors. theta energy: -31.304
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -280.586479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.586479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.689382 (E_RNA)
where:
Base-Base interactions energy: -178.819
where: short stacking energy: -101.208
Base-Backbone interact. energy: -0.046
local terms energy: -101.824006
where:
bonds (distance) C4'-P energy: -20.195
bonds (distance) P-C4' energy: -21.760
flat angles C4'-P-C4' energy: -23.738
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -24.497
Dist. restrs. and SS energy: 0.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -285.511511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.511511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.957286 (E_RNA)
where:
Base-Base interactions energy: -174.842
where: short stacking energy: -87.801
Base-Backbone interact. energy: -0.683
local terms energy: -112.432444
where:
bonds (distance) C4'-P energy: -19.760
bonds (distance) P-C4' energy: -26.790
flat angles C4'-P-C4' energy: -23.579
flat angles P-C4'-P energy: -14.835
tors. eta vs tors. theta energy: -27.468
Dist. restrs. and SS energy: 2.446 (S_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: 53
Temperature: 1.050000
Total energy: -266.801512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.801512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.881328 (E_RNA)
where:
Base-Base interactions energy: -166.372
where: short stacking energy: -95.216
Base-Backbone interact. energy: -0.045
local terms energy: -100.464307
where:
bonds (distance) C4'-P energy: -18.888
bonds (distance) P-C4' energy: -21.620
flat angles C4'-P-C4' energy: -22.252
flat angles P-C4'-P energy: -15.823
tors. eta vs tors. theta energy: -21.881
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: 3
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -239.149157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.149157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.305002 (E_RNA)
where:
Base-Base interactions energy: -158.249
where: short stacking energy: -76.963
Base-Backbone interact. energy: -0.452
local terms energy: -81.604195
where:
bonds (distance) C4'-P energy: -16.917
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -20.699
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -17.094
Dist. restrs. and SS energy: 1.156 (S_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: 53
Temperature: 1.150000
Total energy: -242.203102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.203102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.196920 (E_RNA)
where:
Base-Base interactions energy: -150.886
where: short stacking energy: -67.685
Base-Backbone interact. energy: -0.175
local terms energy: -92.135050
where:
bonds (distance) C4'-P energy: -20.630
bonds (distance) P-C4' energy: -22.764
flat angles C4'-P-C4' energy: -20.232
flat angles P-C4'-P energy: -12.543
tors. eta vs tors. theta energy: -15.966
Dist. restrs. and SS energy: 0.994 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -214.886365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.886365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.008211 (E_RNA)
where:
Base-Base interactions energy: -132.385
where: short stacking energy: -72.975
Base-Backbone interact. energy: -0.058
local terms energy: -82.565222
where:
bonds (distance) C4'-P energy: -16.950
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -14.045
tors. eta vs tors. theta energy: -21.365
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -224.895999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.895999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.011059 (E_RNA)
where:
Base-Base interactions energy: -127.595
where: short stacking energy: -63.983
Base-Backbone interact. energy: -0.078
local terms energy: -97.337394
where:
bonds (distance) C4'-P energy: -24.243
bonds (distance) P-C4' energy: -25.237
flat angles C4'-P-C4' energy: -19.782
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -17.744
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: 4
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -201.106077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.106077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.187178 (E_RNA)
where:
Base-Base interactions energy: -118.122
where: short stacking energy: -53.089
Base-Backbone interact. energy: 0.050
local terms energy: -83.114645
where:
bonds (distance) C4'-P energy: -22.015
bonds (distance) P-C4' energy: -19.953
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -17.253
tors. eta vs tors. theta energy: -8.342
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: 10
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -193.627360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.627360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.682102 (E_RNA)
where:
Base-Base interactions energy: -127.859
where: short stacking energy: -65.739
Base-Backbone interact. energy: -0.332
local terms energy: -65.491190
where:
bonds (distance) C4'-P energy: -16.403
bonds (distance) P-C4' energy: -17.630
flat angles C4'-P-C4' energy: -9.226
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: -9.713
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: 7
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -309.813773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.813773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.821687 (E_RNA)
where:
Base-Base interactions energy: -196.251
where: short stacking energy: -101.053
Base-Backbone interact. energy: -1.008
local terms energy: -112.562811
where:
bonds (distance) C4'-P energy: -23.871
bonds (distance) P-C4' energy: -22.087
flat angles C4'-P-C4' energy: -21.297
flat angles P-C4'-P energy: -16.177
tors. eta vs tors. theta energy: -29.131
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: 54
Temperature: 0.950000
Total energy: -287.016716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.016716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.095949 (E_RNA)
where:
Base-Base interactions energy: -177.712
where: short stacking energy: -94.210
Base-Backbone interact. energy: -0.228
local terms energy: -110.156530
where:
bonds (distance) C4'-P energy: -23.768
bonds (distance) P-C4' energy: -19.812
flat angles C4'-P-C4' energy: -22.597
flat angles P-C4'-P energy: -15.541
tors. eta vs tors. theta energy: -28.438
Dist. restrs. and SS energy: 1.079 (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: 8
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -252.691692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.691692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.729153 (E_RNA)
where:
Base-Base interactions energy: -156.978
where: short stacking energy: -81.328
Base-Backbone interact. energy: -0.011
local terms energy: -95.740255
where:
bonds (distance) C4'-P energy: -19.820
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -24.531
flat angles P-C4'-P energy: -14.876
tors. eta vs tors. theta energy: -20.431
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: 1
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -284.217957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.217957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.507448 (E_RNA)
where:
Base-Base interactions energy: -174.002
where: short stacking energy: -100.748
Base-Backbone interact. energy: -0.079
local terms energy: -110.426340
where:
bonds (distance) C4'-P energy: -21.469
bonds (distance) P-C4' energy: -24.572
flat angles C4'-P-C4' energy: -18.124
flat angles P-C4'-P energy: -15.942
tors. eta vs tors. theta energy: -30.319
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: 5, replica: 3
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -241.573361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.573361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.589287 (E_RNA)
where:
Base-Base interactions energy: -149.135
where: short stacking energy: -73.265
Base-Backbone interact. energy: -0.294
local terms energy: -92.159903
where:
bonds (distance) C4'-P energy: -22.414
bonds (distance) P-C4' energy: -19.947
flat angles C4'-P-C4' energy: -20.849
flat angles P-C4'-P energy: -16.295
tors. eta vs tors. theta energy: -12.656
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -248.563114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.563114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.666884 (E_RNA)
where:
Base-Base interactions energy: -156.188
where: short stacking energy: -85.785
Base-Backbone interact. energy: -1.017
local terms energy: -91.461683
where:
bonds (distance) C4'-P energy: -15.074
bonds (distance) P-C4' energy: -19.518
flat angles C4'-P-C4' energy: -23.501
flat angles P-C4'-P energy: -13.486
tors. eta vs tors. theta energy: -19.883
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: 5
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -221.762416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.762416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.799969 (E_RNA)
where:
Base-Base interactions energy: -135.633
where: short stacking energy: -70.637
Base-Backbone interact. energy: 0.191
local terms energy: -86.358456
where:
bonds (distance) C4'-P energy: -20.058
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -23.560
flat angles P-C4'-P energy: -13.864
tors. eta vs tors. theta energy: -14.746
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: 6
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -219.705072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.705072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.771905 (E_RNA)
where:
Base-Base interactions energy: -137.537
where: short stacking energy: -66.976
Base-Backbone interact. energy: -0.922
local terms energy: -81.313112
where:
bonds (distance) C4'-P energy: -19.230
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -18.734
flat angles P-C4'-P energy: -14.138
tors. eta vs tors. theta energy: -13.740
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: 10
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -224.719281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.719281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.837807 (E_RNA)
where:
Base-Base interactions energy: -143.243
where: short stacking energy: -76.463
Base-Backbone interact. energy: -0.360
local terms energy: -81.234782
where:
bonds (distance) C4'-P energy: -18.290
bonds (distance) P-C4' energy: -13.689
flat angles C4'-P-C4' energy: -19.948
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -18.449
Dist. restrs. and SS energy: 0.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -198.920883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.920883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.932240 (E_RNA)
where:
Base-Base interactions energy: -120.721
where: short stacking energy: -56.640
Base-Backbone interact. energy: -0.087
local terms energy: -78.124525
where:
bonds (distance) C4'-P energy: -17.515
bonds (distance) P-C4' energy: -21.589
flat angles C4'-P-C4' energy: -19.953
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -10.800
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: 55
Temperature: 0.900000
Total energy: -300.076414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.076414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.123815 (E_RNA)
where:
Base-Base interactions energy: -178.424
where: short stacking energy: -107.248
Base-Backbone interact. energy: -0.343
local terms energy: -121.356155
where:
bonds (distance) C4'-P energy: -25.159
bonds (distance) P-C4' energy: -24.005
flat angles C4'-P-C4' energy: -24.202
flat angles P-C4'-P energy: -14.725
tors. eta vs tors. theta energy: -33.266
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: 55
Temperature: 0.950000
Total energy: -291.102920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.102920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.209879 (E_RNA)
where:
Base-Base interactions energy: -182.916
where: short stacking energy: -100.893
Base-Backbone interact. energy: -0.006
local terms energy: -108.287863
where:
bonds (distance) C4'-P energy: -18.187
bonds (distance) P-C4' energy: -22.939
flat angles C4'-P-C4' energy: -19.571
flat angles P-C4'-P energy: -15.594
tors. eta vs tors. theta energy: -31.997
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: 8
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -289.293162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.293162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.544886 (E_RNA)
where:
Base-Base interactions energy: -176.630
where: short stacking energy: -96.072
Base-Backbone interact. energy: -0.182
local terms energy: -112.732280
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -24.563
flat angles C4'-P-C4' energy: -23.194
flat angles P-C4'-P energy: -19.760
tors. eta vs tors. theta energy: -29.113
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: 4, replica: 1
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -259.907041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.907041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.945360 (E_RNA)
where:
Base-Base interactions energy: -156.214
where: short stacking energy: -88.599
Base-Backbone interact. energy: -0.096
local terms energy: -103.635312
where:
bonds (distance) C4'-P energy: -22.823
bonds (distance) P-C4' energy: -22.775
flat angles C4'-P-C4' energy: -24.501
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -21.207
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: 3
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -248.657732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.657732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.672477 (E_RNA)
where:
Base-Base interactions energy: -153.232
where: short stacking energy: -74.217
Base-Backbone interact. energy: -0.177
local terms energy: -95.263663
where:
bonds (distance) C4'-P energy: -19.321
bonds (distance) P-C4' energy: -20.829
flat angles C4'-P-C4' energy: -20.258
flat angles P-C4'-P energy: -15.822
tors. eta vs tors. theta energy: -19.034
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: 55
Temperature: 1.150000
Total energy: -217.231016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.231016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.463630 (E_RNA)
where:
Base-Base interactions energy: -123.562
where: short stacking energy: -55.343
Base-Backbone interact. energy: -1.239
local terms energy: -92.663350
where:
bonds (distance) C4'-P energy: -23.077
bonds (distance) P-C4' energy: -21.397
flat angles C4'-P-C4' energy: -23.820
flat angles P-C4'-P energy: -16.232
tors. eta vs tors. theta energy: -8.137
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: 7, replica: 2
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -233.844354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.844354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.855137 (E_RNA)
where:
Base-Base interactions energy: -147.719
where: short stacking energy: -66.286
Base-Backbone interact. energy: -0.996
local terms energy: -85.139920
where:
bonds (distance) C4'-P energy: -18.929
bonds (distance) P-C4' energy: -23.120
flat angles C4'-P-C4' energy: -20.162
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -13.692
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: 10
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -209.923851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.923851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.073189 (E_RNA)
where:
Base-Base interactions energy: -120.957
where: short stacking energy: -60.806
Base-Backbone interact. energy: -0.374
local terms energy: -88.741790
where:
bonds (distance) C4'-P energy: -20.708
bonds (distance) P-C4' energy: -26.830
flat angles C4'-P-C4' energy: -19.652
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -11.922
Dist. restrs. and SS energy: 0.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -216.583706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.583706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.701527 (E_RNA)
where:
Base-Base interactions energy: -131.666
where: short stacking energy: -67.769
Base-Backbone interact. energy: -0.333
local terms energy: -84.701915
where:
bonds (distance) C4'-P energy: -18.265
bonds (distance) P-C4' energy: -18.716
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: -18.865
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -218.812641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.812641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.746093 (E_RNA)
where:
Base-Base interactions energy: -129.003
where: short stacking energy: -64.055
Base-Backbone interact. energy: -0.311
local terms energy: -90.432561
where:
bonds (distance) C4'-P energy: -25.291
bonds (distance) P-C4' energy: -19.756
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -18.037
Dist. restrs. and SS energy: 0.933 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -301.861121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.861121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.049858 (E_RNA)
where:
Base-Base interactions energy: -182.794
where: short stacking energy: -106.925
Base-Backbone interact. energy: -0.707
local terms energy: -118.549634
where:
bonds (distance) C4'-P energy: -22.658
bonds (distance) P-C4' energy: -23.986
flat angles C4'-P-C4' energy: -25.510
flat angles P-C4'-P energy: -15.669
tors. eta vs tors. theta energy: -30.726
Dist. restrs. and SS energy: 0.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -301.727211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.727211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.971290 (E_RNA)
where:
Base-Base interactions energy: -190.279
where: short stacking energy: -107.292
Base-Backbone interact. energy: -0.267
local terms energy: -113.426074
where:
bonds (distance) C4'-P energy: -19.404
bonds (distance) P-C4' energy: -22.880
flat angles C4'-P-C4' energy: -21.826
flat angles P-C4'-P energy: -19.057
tors. eta vs tors. theta energy: -30.259
Dist. restrs. and SS energy: 2.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -286.219912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.219912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.799702 (E_RNA)
where:
Base-Base interactions energy: -173.891
where: short stacking energy: -94.166
Base-Backbone interact. energy: -0.358
local terms energy: -112.550552
where:
bonds (distance) C4'-P energy: -21.396
bonds (distance) P-C4' energy: -20.914
flat angles C4'-P-C4' energy: -24.876
flat angles P-C4'-P energy: -17.763
tors. eta vs tors. theta energy: -27.601
Dist. restrs. and SS energy: 0.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -256.654929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.654929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.660848 (E_RNA)
where:
Base-Base interactions energy: -150.369
where: short stacking energy: -73.084
Base-Backbone interact. energy: -0.033
local terms energy: -106.259105
where:
bonds (distance) C4'-P energy: -23.002
bonds (distance) P-C4' energy: -20.133
flat angles C4'-P-C4' energy: -22.645
flat angles P-C4'-P energy: -17.227
tors. eta vs tors. theta energy: -23.251
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: 5
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -233.799292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.799292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.841891 (E_RNA)
where:
Base-Base interactions energy: -137.425
where: short stacking energy: -69.361
Base-Backbone interact. energy: -0.274
local terms energy: -96.142501
where:
bonds (distance) C4'-P energy: -17.882
bonds (distance) P-C4' energy: -22.167
flat angles C4'-P-C4' energy: -22.205
flat angles P-C4'-P energy: -19.737
tors. eta vs tors. theta energy: -14.151
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: 3
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -251.957384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.957384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.066405 (E_RNA)
where:
Base-Base interactions energy: -151.773
where: short stacking energy: -92.659
Base-Backbone interact. energy: -0.123
local terms energy: -100.170683
where:
bonds (distance) C4'-P energy: -22.341
bonds (distance) P-C4' energy: -21.201
flat angles C4'-P-C4' energy: -19.319
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -26.905
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: 2
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -233.247118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.247118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.919841 (E_RNA)
where:
Base-Base interactions energy: -151.014
where: short stacking energy: -72.139
Base-Backbone interact. energy: -0.152
local terms energy: -84.754098
where:
bonds (distance) C4'-P energy: -12.755
bonds (distance) P-C4' energy: -21.123
flat angles C4'-P-C4' energy: -21.010
flat angles P-C4'-P energy: -12.600
tors. eta vs tors. theta energy: -17.266
Dist. restrs. and SS energy: 2.673 (S_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: -221.904631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.904631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.860175 (E_RNA)
where:
Base-Base interactions energy: -135.289
where: short stacking energy: -64.492
Base-Backbone interact. energy: -0.481
local terms energy: -88.090097
where:
bonds (distance) C4'-P energy: -21.179
bonds (distance) P-C4' energy: -20.053
flat angles C4'-P-C4' energy: -18.869
flat angles P-C4'-P energy: -15.208
tors. eta vs tors. theta energy: -12.782
Dist. restrs. and SS energy: 1.956 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -211.537960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.537960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.563298 (E_RNA)
where:
Base-Base interactions energy: -126.509
where: short stacking energy: -62.520
Base-Backbone interact. energy: -1.235
local terms energy: -83.819682
where:
bonds (distance) C4'-P energy: -18.290
bonds (distance) P-C4' energy: -20.451
flat angles C4'-P-C4' energy: -20.259
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -13.609
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: 6
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -205.992420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.992420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.254751 (E_RNA)
where:
Base-Base interactions energy: -126.203
where: short stacking energy: -53.991
Base-Backbone interact. energy: -0.255
local terms energy: -80.796687
where:
bonds (distance) C4'-P energy: -17.481
bonds (distance) P-C4' energy: -20.423
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -14.421
tors. eta vs tors. theta energy: -12.186
Dist. restrs. and SS energy: 1.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -303.837883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.837883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.199901 (E_RNA)
where:
Base-Base interactions energy: -184.601
where: short stacking energy: -107.250
Base-Backbone interact. energy: -0.631
local terms energy: -118.967969
where:
bonds (distance) C4'-P energy: -22.691
bonds (distance) P-C4' energy: -24.480
flat angles C4'-P-C4' energy: -24.992
flat angles P-C4'-P energy: -18.027
tors. eta vs tors. theta energy: -28.778
Dist. restrs. and SS energy: 0.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -295.746364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.746364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.978808 (E_RNA)
where:
Base-Base interactions energy: -188.057
where: short stacking energy: -106.375
Base-Backbone interact. energy: -0.093
local terms energy: -107.828782
where:
bonds (distance) C4'-P energy: -19.935
bonds (distance) P-C4' energy: -21.784
flat angles C4'-P-C4' energy: -21.098
flat angles P-C4'-P energy: -13.855
tors. eta vs tors. theta energy: -31.156
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: 3, replica: 8
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -283.629201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.629201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.059980 (E_RNA)
where:
Base-Base interactions energy: -176.708
where: short stacking energy: -93.177
Base-Backbone interact. energy: -0.021
local terms energy: -107.330439
where:
bonds (distance) C4'-P energy: -19.078
bonds (distance) P-C4' energy: -22.974
flat angles C4'-P-C4' energy: -22.127
flat angles P-C4'-P energy: -15.816
tors. eta vs tors. theta energy: -27.336
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: 4, replica: 1
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -275.620830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.620830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.631576 (E_RNA)
where:
Base-Base interactions energy: -171.978
where: short stacking energy: -95.647
Base-Backbone interact. energy: -0.003
local terms energy: -103.650925
where:
bonds (distance) C4'-P energy: -22.243
bonds (distance) P-C4' energy: -22.023
flat angles C4'-P-C4' energy: -18.185
flat angles P-C4'-P energy: -13.548
tors. eta vs tors. theta energy: -27.652
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: 5
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -249.389983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.389983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.726246 (E_RNA)
where:
Base-Base interactions energy: -151.152
where: short stacking energy: -80.583
Base-Backbone interact. energy: -0.207
local terms energy: -98.366480
where:
bonds (distance) C4'-P energy: -21.134
bonds (distance) P-C4' energy: -22.845
flat angles C4'-P-C4' energy: -18.880
flat angles P-C4'-P energy: -13.421
tors. eta vs tors. theta energy: -22.085
Dist. restrs. and SS energy: 0.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -247.862094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.862094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.890550 (E_RNA)
where:
Base-Base interactions energy: -151.465
where: short stacking energy: -79.431
Base-Backbone interact. energy: -0.662
local terms energy: -95.764310
where:
bonds (distance) C4'-P energy: -23.506
bonds (distance) P-C4' energy: -22.060
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -14.953
tors. eta vs tors. theta energy: -18.232
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -234.951609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.951609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.035185 (E_RNA)
where:
Base-Base interactions energy: -146.294
where: short stacking energy: -75.814
Base-Backbone interact. energy: -0.031
local terms energy: -88.709680
where:
bonds (distance) C4'-P energy: -14.320
bonds (distance) P-C4' energy: -18.771
flat angles C4'-P-C4' energy: -21.130
flat angles P-C4'-P energy: -16.477
tors. eta vs tors. theta energy: -18.012
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -223.316751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.316751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.576862 (E_RNA)
where:
Base-Base interactions energy: -128.215
where: short stacking energy: -54.062
Base-Backbone interact. energy: -0.483
local terms energy: -95.878559
where:
bonds (distance) C4'-P energy: -18.262
bonds (distance) P-C4' energy: -23.262
flat angles C4'-P-C4' energy: -19.552
flat angles P-C4'-P energy: -17.233
tors. eta vs tors. theta energy: -17.570
Dist. restrs. and SS energy: 1.260 (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: 10
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -219.381988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.381988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.590977 (E_RNA)
where:
Base-Base interactions energy: -140.122
where: short stacking energy: -64.068
Base-Backbone interact. energy: -0.266
local terms energy: -81.203383
where:
bonds (distance) C4'-P energy: -12.395
bonds (distance) P-C4' energy: -17.636
flat angles C4'-P-C4' energy: -22.031
flat angles P-C4'-P energy: -14.952
tors. eta vs tors. theta energy: -14.190
Dist. restrs. and SS energy: 2.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -206.788459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.788459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.117548 (E_RNA)
where:
Base-Base interactions energy: -122.551
where: short stacking energy: -55.412
Base-Backbone interact. energy: 2.584
local terms energy: -87.150877
where:
bonds (distance) C4'-P energy: -22.244
bonds (distance) P-C4' energy: -24.166
flat angles C4'-P-C4' energy: -18.642
flat angles P-C4'-P energy: -8.370
tors. eta vs tors. theta energy: -13.729
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: 9
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -301.779261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.779261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.900097 (E_RNA)
where:
Base-Base interactions energy: -182.389
where: short stacking energy: -110.077
Base-Backbone interact. energy: -0.009
local terms energy: -119.501337
where:
bonds (distance) C4'-P energy: -15.691
bonds (distance) P-C4' energy: -24.864
flat angles C4'-P-C4' energy: -24.544
flat angles P-C4'-P energy: -20.079
tors. eta vs tors. theta energy: -34.324
Dist. restrs. and SS energy: 0.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -310.415836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.415836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.025716 (E_RNA)
where:
Base-Base interactions energy: -194.414
where: short stacking energy: -110.988
Base-Backbone interact. energy: 0.508
local terms energy: -117.119684
where:
bonds (distance) C4'-P energy: -21.631
bonds (distance) P-C4' energy: -23.592
flat angles C4'-P-C4' energy: -20.270
flat angles P-C4'-P energy: -17.349
tors. eta vs tors. theta energy: -34.277
Dist. restrs. and SS energy: 0.610 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -275.137318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.137318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.137318 (E_RNA)
where:
Base-Base interactions energy: -167.762
where: short stacking energy: -95.194
Base-Backbone interact. energy: 1.907
local terms energy: -109.282542
where:
bonds (distance) C4'-P energy: -17.888
bonds (distance) P-C4' energy: -24.690
flat angles C4'-P-C4' energy: -24.368
flat angles P-C4'-P energy: -17.293
tors. eta vs tors. theta energy: -25.044
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -258.350984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.350984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.811696 (E_RNA)
where:
Base-Base interactions energy: -158.424
where: short stacking energy: -92.928
Base-Backbone interact. energy: -0.052
local terms energy: -100.335571
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -23.952
flat angles C4'-P-C4' energy: -22.117
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -25.793
Dist. restrs. and SS energy: 0.461 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -248.296248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.296248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.367885 (E_RNA)
where:
Base-Base interactions energy: -155.551
where: short stacking energy: -77.568
Base-Backbone interact. energy: -0.276
local terms energy: -93.540466
where:
bonds (distance) C4'-P energy: -15.592
bonds (distance) P-C4' energy: -20.273
flat angles C4'-P-C4' energy: -20.957
flat angles P-C4'-P energy: -16.044
tors. eta vs tors. theta energy: -20.675
Dist. restrs. and SS energy: 1.072 (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: 5
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -248.615965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.615965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.837428 (E_RNA)
where:
Base-Base interactions energy: -151.755
where: short stacking energy: -85.692
Base-Backbone interact. energy: -0.097
local terms energy: -96.985173
where:
bonds (distance) C4'-P energy: -23.329
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -22.030
flat angles P-C4'-P energy: -12.782
tors. eta vs tors. theta energy: -23.691
Dist. restrs. and SS energy: 0.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -233.781288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.781288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.804946 (E_RNA)
where:
Base-Base interactions energy: -145.568
where: short stacking energy: -81.707
Base-Backbone interact. energy: 0.111
local terms energy: -88.347573
where:
bonds (distance) C4'-P energy: -22.998
bonds (distance) P-C4' energy: -18.217
flat angles C4'-P-C4' energy: -20.265
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: -19.253
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: 4
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -221.111202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.111202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.363689 (E_RNA)
where:
Base-Base interactions energy: -128.102
where: short stacking energy: -65.056
Base-Backbone interact. energy: -0.095
local terms energy: -93.166932
where:
bonds (distance) C4'-P energy: -21.469
bonds (distance) P-C4' energy: -15.224
flat angles C4'-P-C4' energy: -24.122
flat angles P-C4'-P energy: -17.118
tors. eta vs tors. theta energy: -15.234
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: 9, replica: 6
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -211.206351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.206351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.211384 (E_RNA)
where:
Base-Base interactions energy: -128.042
where: short stacking energy: -63.270
Base-Backbone interact. energy: -0.348
local terms energy: -82.821211
where:
bonds (distance) C4'-P energy: -18.366
bonds (distance) P-C4' energy: -21.403
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -14.012
tors. eta vs tors. theta energy: -13.425
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: 58
Temperature: 1.350000
Total energy: -218.124020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.124020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.129936 (E_RNA)
where:
Base-Base interactions energy: -135.133
where: short stacking energy: -65.233
Base-Backbone interact. energy: 0.084
local terms energy: -83.081188
where:
bonds (distance) C4'-P energy: -14.453
bonds (distance) P-C4' energy: -18.576
flat angles C4'-P-C4' energy: -22.312
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -17.075
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -302.817406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.817406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.825688 (E_RNA)
where:
Base-Base interactions energy: -187.644
where: short stacking energy: -109.713
Base-Backbone interact. energy: -0.075
local terms energy: -115.106412
where:
bonds (distance) C4'-P energy: -20.240
bonds (distance) P-C4' energy: -24.110
flat angles C4'-P-C4' energy: -24.271
flat angles P-C4'-P energy: -14.769
tors. eta vs tors. theta energy: -31.716
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: 59
Temperature: 0.950000
Total energy: -292.328041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.328041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.499405 (E_RNA)
where:
Base-Base interactions energy: -180.463
where: short stacking energy: -98.715
Base-Backbone interact. energy: -0.115
local terms energy: -111.921709
where:
bonds (distance) C4'-P energy: -25.328
bonds (distance) P-C4' energy: -20.314
flat angles C4'-P-C4' energy: -23.254
flat angles P-C4'-P energy: -15.763
tors. eta vs tors. theta energy: -27.264
Dist. restrs. and SS energy: 0.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -275.876521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.876521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.003212 (E_RNA)
where:
Base-Base interactions energy: -158.553
where: short stacking energy: -90.111
Base-Backbone interact. energy: -0.111
local terms energy: -117.338679
where:
bonds (distance) C4'-P energy: -25.622
bonds (distance) P-C4' energy: -25.784
flat angles C4'-P-C4' energy: -24.847
flat angles P-C4'-P energy: -14.027
tors. eta vs tors. theta energy: -27.059
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: 4, replica: 3
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -269.054569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.054569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.087128 (E_RNA)
where:
Base-Base interactions energy: -163.414
where: short stacking energy: -99.380
Base-Backbone interact. energy: -0.346
local terms energy: -105.327479
where:
bonds (distance) C4'-P energy: -20.792
bonds (distance) P-C4' energy: -20.051
flat angles C4'-P-C4' energy: -24.936
flat angles P-C4'-P energy: -12.642
tors. eta vs tors. theta energy: -26.906
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: 8
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -251.985069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.985069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.505092 (E_RNA)
where:
Base-Base interactions energy: -157.479
where: short stacking energy: -68.539
Base-Backbone interact. energy: -0.602
local terms energy: -94.423721
where:
bonds (distance) C4'-P energy: -24.157
bonds (distance) P-C4' energy: -22.217
flat angles C4'-P-C4' energy: -17.761
flat angles P-C4'-P energy: -15.812
tors. eta vs tors. theta energy: -14.476
Dist. restrs. and SS energy: 0.520 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -235.108741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.108741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.166347 (E_RNA)
where:
Base-Base interactions energy: -137.255
where: short stacking energy: -76.510
Base-Backbone interact. energy: -0.104
local terms energy: -97.807051
where:
bonds (distance) C4'-P energy: -19.069
bonds (distance) P-C4' energy: -25.813
flat angles C4'-P-C4' energy: -19.692
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -21.130
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: 59
Temperature: 1.200000
Total energy: -231.593774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.593774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.612534 (E_RNA)
where:
Base-Base interactions energy: -139.856
where: short stacking energy: -71.466
Base-Backbone interact. energy: -0.181
local terms energy: -91.575565
where:
bonds (distance) C4'-P energy: -20.774
bonds (distance) P-C4' energy: -21.979
flat angles C4'-P-C4' energy: -20.175
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -17.820
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: 6
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -211.224276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.224276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.236136 (E_RNA)
where:
Base-Base interactions energy: -125.765
where: short stacking energy: -61.322
Base-Backbone interact. energy: -0.594
local terms energy: -84.877069
where:
bonds (distance) C4'-P energy: -23.370
bonds (distance) P-C4' energy: -23.765
flat angles C4'-P-C4' energy: -22.115
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -6.178
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: 59
Temperature: 1.300000
Total energy: -214.030472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.030472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.064393 (E_RNA)
where:
Base-Base interactions energy: -121.296
where: short stacking energy: -60.798
Base-Backbone interact. energy: 2.159
local terms energy: -94.927212
where:
bonds (distance) C4'-P energy: -20.559
bonds (distance) P-C4' energy: -22.818
flat angles C4'-P-C4' energy: -22.450
flat angles P-C4'-P energy: -13.380
tors. eta vs tors. theta energy: -15.720
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -219.236478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.236478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.309642 (E_RNA)
where:
Base-Base interactions energy: -128.207
where: short stacking energy: -61.076
Base-Backbone interact. energy: -0.082
local terms energy: -91.020631
where:
bonds (distance) C4'-P energy: -19.481
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -21.023
flat angles P-C4'-P energy: -14.088
tors. eta vs tors. theta energy: -19.413
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: 7
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -288.448144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.448144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.448144 (E_RNA)
where:
Base-Base interactions energy: -174.709
where: short stacking energy: -100.816
Base-Backbone interact. energy: -0.061
local terms energy: -113.678686
where:
bonds (distance) C4'-P energy: -23.573
bonds (distance) P-C4' energy: -23.257
flat angles C4'-P-C4' energy: -21.775
flat angles P-C4'-P energy: -16.034
tors. eta vs tors. theta energy: -29.040
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -280.219686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.219686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.264961 (E_RNA)
where:
Base-Base interactions energy: -169.960
where: short stacking energy: -92.735
Base-Backbone interact. energy: -0.162
local terms energy: -110.143353
where:
bonds (distance) C4'-P energy: -23.551
bonds (distance) P-C4' energy: -23.990
flat angles C4'-P-C4' energy: -23.177
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -28.351
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: 60
Temperature: 1.000000
Total energy: -258.673679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.673679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.370481 (E_RNA)
where:
Base-Base interactions energy: -163.998
where: short stacking energy: -88.330
Base-Backbone interact. energy: -0.030
local terms energy: -95.342618
where:
bonds (distance) C4'-P energy: -19.313
bonds (distance) P-C4' energy: -19.556
flat angles C4'-P-C4' energy: -22.157
flat angles P-C4'-P energy: -13.551
tors. eta vs tors. theta energy: -20.766
Dist. restrs. and SS energy: 0.697 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -264.314608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.314608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.090297 (E_RNA)
where:
Base-Base interactions energy: -166.462
where: short stacking energy: -82.599
Base-Backbone interact. energy: -0.597
local terms energy: -99.031579
where:
bonds (distance) C4'-P energy: -23.827
bonds (distance) P-C4' energy: -17.614
flat angles C4'-P-C4' energy: -18.063
flat angles P-C4'-P energy: -15.321
tors. eta vs tors. theta energy: -24.207
Dist. restrs. and SS energy: 1.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -249.055851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.055851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.228558 (E_RNA)
where:
Base-Base interactions energy: -148.471
where: short stacking energy: -85.173
Base-Backbone interact. energy: -0.052
local terms energy: -100.705283
where:
bonds (distance) C4'-P energy: -17.631
bonds (distance) P-C4' energy: -21.750
flat angles C4'-P-C4' energy: -20.800
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -28.083
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: 8
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -228.978614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.978614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.062676 (E_RNA)
where:
Base-Base interactions energy: -136.383
where: short stacking energy: -70.611
Base-Backbone interact. energy: -0.551
local terms energy: -92.128728
where:
bonds (distance) C4'-P energy: -24.951
bonds (distance) P-C4' energy: -18.819
flat angles C4'-P-C4' energy: -23.237
flat angles P-C4'-P energy: -12.744
tors. eta vs tors. theta energy: -12.376
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: 6
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -214.803980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.803980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.951000 (E_RNA)
where:
Base-Base interactions energy: -129.331
where: short stacking energy: -63.204
Base-Backbone interact. energy: -0.257
local terms energy: -85.363556
where:
bonds (distance) C4'-P energy: -18.038
bonds (distance) P-C4' energy: -26.231
flat angles C4'-P-C4' energy: -19.828
flat angles P-C4'-P energy: -14.586
tors. eta vs tors. theta energy: -6.681
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: 60
Temperature: 1.250000
Total energy: -219.733403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.733403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.835127 (E_RNA)
where:
Base-Base interactions energy: -144.691
where: short stacking energy: -65.360
Base-Backbone interact. energy: -0.091
local terms energy: -77.053252
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -7.117
flat angles C4'-P-C4' energy: -21.699
flat angles P-C4'-P energy: -14.686
tors. eta vs tors. theta energy: -17.414
Dist. restrs. and SS energy: 2.102 (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: 10
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -215.446884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.446884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.222433 (E_RNA)
where:
Base-Base interactions energy: -129.296
where: short stacking energy: -60.583
Base-Backbone interact. energy: -0.701
local terms energy: -86.224791
where:
bonds (distance) C4'-P energy: -22.547
bonds (distance) P-C4' energy: -23.846
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -17.176
Dist. restrs. and SS energy: 0.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -209.328046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.328046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.571701 (E_RNA)
where:
Base-Base interactions energy: -124.632
where: short stacking energy: -62.739
Base-Backbone interact. energy: 0.831
local terms energy: -85.771274
where:
bonds (distance) C4'-P energy: -21.936
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -18.656
flat angles P-C4'-P energy: -14.184
tors. eta vs tors. theta energy: -16.858
Dist. restrs. and SS energy: 0.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -289.143207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.143207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.161528 (E_RNA)
where:
Base-Base interactions energy: -170.429
where: short stacking energy: -100.751
Base-Backbone interact. energy: -0.001
local terms energy: -118.730609
where:
bonds (distance) C4'-P energy: -24.280
bonds (distance) P-C4' energy: -20.314
flat angles C4'-P-C4' energy: -27.785
flat angles P-C4'-P energy: -14.353
tors. eta vs tors. theta energy: -31.998
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: 3
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -277.175285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.175285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.185568 (E_RNA)
where:
Base-Base interactions energy: -162.603
where: short stacking energy: -95.716
Base-Backbone interact. energy: -0.065
local terms energy: -114.516854
where:
bonds (distance) C4'-P energy: -24.115
bonds (distance) P-C4' energy: -24.620
flat angles C4'-P-C4' energy: -25.454
flat angles P-C4'-P energy: -17.446
tors. eta vs tors. theta energy: -22.882
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: 61
Temperature: 1.000000
Total energy: -279.971300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.971300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.063296 (E_RNA)
where:
Base-Base interactions energy: -174.593
where: short stacking energy: -105.744
Base-Backbone interact. energy: 0.992
local terms energy: -106.462114
where:
bonds (distance) C4'-P energy: -21.068
bonds (distance) P-C4' energy: -17.916
flat angles C4'-P-C4' energy: -22.969
flat angles P-C4'-P energy: -16.012
tors. eta vs tors. theta energy: -28.497
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: 2
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -253.680663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.680663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.545642 (E_RNA)
where:
Base-Base interactions energy: -147.182
where: short stacking energy: -81.813
Base-Backbone interact. energy: -0.036
local terms energy: -107.327090
where:
bonds (distance) C4'-P energy: -24.588
bonds (distance) P-C4' energy: -22.892
flat angles C4'-P-C4' energy: -18.654
flat angles P-C4'-P energy: -15.791
tors. eta vs tors. theta energy: -25.403
Dist. restrs. and SS energy: 0.865 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -247.042184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.042184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.102174 (E_RNA)
where:
Base-Base interactions energy: -152.474
where: short stacking energy: -86.133
Base-Backbone interact. energy: -0.080
local terms energy: -94.547557
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -21.518
flat angles C4'-P-C4' energy: -20.218
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -25.118
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: 6
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -236.664372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.664372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.826075 (E_RNA)
where:
Base-Base interactions energy: -149.396
where: short stacking energy: -75.361
Base-Backbone interact. energy: -0.061
local terms energy: -87.368343
where:
bonds (distance) C4'-P energy: -18.925
bonds (distance) P-C4' energy: -22.944
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -14.201
tors. eta vs tors. theta energy: -16.636
Dist. restrs. and SS energy: 0.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -213.809153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.809153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.848702 (E_RNA)
where:
Base-Base interactions energy: -135.468
where: short stacking energy: -73.185
Base-Backbone interact. energy: -0.221
local terms energy: -78.160159
where:
bonds (distance) C4'-P energy: -18.878
bonds (distance) P-C4' energy: -20.834
flat angles C4'-P-C4' energy: -12.455
flat angles P-C4'-P energy: -7.540
tors. eta vs tors. theta energy: -18.452
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: 10
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -223.369091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.369091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.375983 (E_RNA)
where:
Base-Base interactions energy: -128.018
where: short stacking energy: -65.440
Base-Backbone interact. energy: -0.069
local terms energy: -95.289030
where:
bonds (distance) C4'-P energy: -18.009
bonds (distance) P-C4' energy: -23.833
flat angles C4'-P-C4' energy: -20.136
flat angles P-C4'-P energy: -20.558
tors. eta vs tors. theta energy: -12.753
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: 5
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -233.129461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.129461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.288494 (E_RNA)
where:
Base-Base interactions energy: -133.813
where: short stacking energy: -65.436
Base-Backbone interact. energy: -0.350
local terms energy: -99.125766
where:
bonds (distance) C4'-P energy: -24.748
bonds (distance) P-C4' energy: -22.452
flat angles C4'-P-C4' energy: -20.126
flat angles P-C4'-P energy: -10.631
tors. eta vs tors. theta energy: -21.169
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: 10, replica: 4
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -205.510100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.510100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.712260 (E_RNA)
where:
Base-Base interactions energy: -112.231
where: short stacking energy: -54.790
Base-Backbone interact. energy: -0.627
local terms energy: -92.854270
where:
bonds (distance) C4'-P energy: -22.428
bonds (distance) P-C4' energy: -20.831
flat angles C4'-P-C4' energy: -22.376
flat angles P-C4'-P energy: -14.597
tors. eta vs tors. theta energy: -12.622
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: 7
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -297.860503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.860503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.932406 (E_RNA)
where:
Base-Base interactions energy: -184.950
where: short stacking energy: -102.273
Base-Backbone interact. energy: -0.978
local terms energy: -112.004675
where:
bonds (distance) C4'-P energy: -26.148
bonds (distance) P-C4' energy: -19.890
flat angles C4'-P-C4' energy: -24.623
flat angles P-C4'-P energy: -16.149
tors. eta vs tors. theta energy: -25.195
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -274.491140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.491140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.608046 (E_RNA)
where:
Base-Base interactions energy: -167.941
where: short stacking energy: -95.341
Base-Backbone interact. energy: -0.153
local terms energy: -106.514207
where:
bonds (distance) C4'-P energy: -16.970
bonds (distance) P-C4' energy: -21.880
flat angles C4'-P-C4' energy: -24.085
flat angles P-C4'-P energy: -15.763
tors. eta vs tors. theta energy: -27.817
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: 3, replica: 9
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -297.503321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.503321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.593321 (E_RNA)
where:
Base-Base interactions energy: -180.952
where: short stacking energy: -99.626
Base-Backbone interact. energy: -0.172
local terms energy: -116.470174
where:
bonds (distance) C4'-P energy: -21.015
bonds (distance) P-C4' energy: -22.070
flat angles C4'-P-C4' energy: -25.491
flat angles P-C4'-P energy: -18.655
tors. eta vs tors. theta energy: -29.239
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: 2
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -249.376102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.376102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.396575 (E_RNA)
where:
Base-Base interactions energy: -147.545
where: short stacking energy: -80.527
Base-Backbone interact. energy: -0.782
local terms energy: -101.069841
where:
bonds (distance) C4'-P energy: -15.786
bonds (distance) P-C4' energy: -23.261
flat angles C4'-P-C4' energy: -23.664
flat angles P-C4'-P energy: -16.567
tors. eta vs tors. theta energy: -21.792
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -242.708709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.708709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.710543 (E_RNA)
where:
Base-Base interactions energy: -149.711
where: short stacking energy: -75.992
Base-Backbone interact. energy: -0.566
local terms energy: -92.433812
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -18.600
flat angles C4'-P-C4' energy: -20.670
flat angles P-C4'-P energy: -18.124
tors. eta vs tors. theta energy: -19.957
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -235.141385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.141385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.558938 (E_RNA)
where:
Base-Base interactions energy: -149.380
where: short stacking energy: -71.383
Base-Backbone interact. energy: -0.282
local terms energy: -85.896890
where:
bonds (distance) C4'-P energy: -22.049
bonds (distance) P-C4' energy: -19.478
flat angles C4'-P-C4' energy: -23.767
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -12.204
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: 7, replica: 10
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -211.859450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.859450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.926985 (E_RNA)
where:
Base-Base interactions energy: -121.911
where: short stacking energy: -58.018
Base-Backbone interact. energy: -0.205
local terms energy: -89.811442
where:
bonds (distance) C4'-P energy: -20.564
bonds (distance) P-C4' energy: -18.775
flat angles C4'-P-C4' energy: -20.602
flat angles P-C4'-P energy: -14.343
tors. eta vs tors. theta energy: -15.528
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: 62
Temperature: 1.250000
Total energy: -203.799309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.799309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.888061 (E_RNA)
where:
Base-Base interactions energy: -127.604
where: short stacking energy: -64.115
Base-Backbone interact. energy: -0.160
local terms energy: -76.123893
where:
bonds (distance) C4'-P energy: -19.823
bonds (distance) P-C4' energy: -21.916
flat angles C4'-P-C4' energy: -15.502
flat angles P-C4'-P energy: -5.311
tors. eta vs tors. theta energy: -13.572
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -219.643154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.643154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.734685 (E_RNA)
where:
Base-Base interactions energy: -130.965
where: short stacking energy: -66.003
Base-Backbone interact. energy: -0.027
local terms energy: -88.743048
where:
bonds (distance) C4'-P energy: -10.743
bonds (distance) P-C4' energy: -24.521
flat angles C4'-P-C4' energy: -24.969
flat angles P-C4'-P energy: -13.951
tors. eta vs tors. theta energy: -14.559
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -207.435993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.435993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.614505 (E_RNA)
where:
Base-Base interactions energy: -135.010
where: short stacking energy: -64.402
Base-Backbone interact. energy: -0.616
local terms energy: -71.988066
where:
bonds (distance) C4'-P energy: -17.377
bonds (distance) P-C4' energy: -16.584
flat angles C4'-P-C4' energy: -17.428
flat angles P-C4'-P energy: -13.135
tors. eta vs tors. theta energy: -7.464
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: 1, replica: 7
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -286.346225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.346225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.346225 (E_RNA)
where:
Base-Base interactions energy: -174.185
where: short stacking energy: -104.301
Base-Backbone interact. energy: -0.039
local terms energy: -112.121669
where:
bonds (distance) C4'-P energy: -26.062
bonds (distance) P-C4' energy: -24.064
flat angles C4'-P-C4' energy: -20.927
flat angles P-C4'-P energy: -13.004
tors. eta vs tors. theta energy: -28.065
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -294.878118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.878118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.912897 (E_RNA)
where:
Base-Base interactions energy: -185.208
where: short stacking energy: -112.077
Base-Backbone interact. energy: -0.030
local terms energy: -109.675204
where:
bonds (distance) C4'-P energy: -22.049
bonds (distance) P-C4' energy: -22.120
flat angles C4'-P-C4' energy: -23.158
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -30.622
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: 63
Temperature: 1.000000
Total energy: -295.803555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.803555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.772184 (E_RNA)
where:
Base-Base interactions energy: -196.786
where: short stacking energy: -117.060
Base-Backbone interact. energy: -0.297
local terms energy: -100.689012
where:
bonds (distance) C4'-P energy: -11.708
bonds (distance) P-C4' energy: -19.394
flat angles C4'-P-C4' energy: -23.414
flat angles P-C4'-P energy: -14.926
tors. eta vs tors. theta energy: -31.247
Dist. restrs. and SS energy: 1.969 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -265.309732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.309732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.903531 (E_RNA)
where:
Base-Base interactions energy: -160.308
where: short stacking energy: -82.418
Base-Backbone interact. energy: -0.400
local terms energy: -106.195097
where:
bonds (distance) C4'-P energy: -18.403
bonds (distance) P-C4' energy: -25.947
flat angles C4'-P-C4' energy: -23.029
flat angles P-C4'-P energy: -15.761
tors. eta vs tors. theta energy: -23.055
Dist. restrs. and SS energy: 1.594 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -225.790595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.790595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.847130 (E_RNA)
where:
Base-Base interactions energy: -140.297
where: short stacking energy: -74.347
Base-Backbone interact. energy: 2.665
local terms energy: -88.215714
where:
bonds (distance) C4'-P energy: -17.220
bonds (distance) P-C4' energy: -24.518
flat angles C4'-P-C4' energy: -21.112
flat angles P-C4'-P energy: -13.131
tors. eta vs tors. theta energy: -12.235
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: 6
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -240.037944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.037944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.541075 (E_RNA)
where:
Base-Base interactions energy: -149.532
where: short stacking energy: -72.647
Base-Backbone interact. energy: -0.027
local terms energy: -90.981779
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -21.469
flat angles C4'-P-C4' energy: -19.841
flat angles P-C4'-P energy: -15.797
tors. eta vs tors. theta energy: -18.789
Dist. restrs. and SS energy: 0.503 (S_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: 63
Temperature: 1.200000
Total energy: -221.411437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.411437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.411437 (E_RNA)
where:
Base-Base interactions energy: -138.914
where: short stacking energy: -76.533
Base-Backbone interact. energy: -0.203
local terms energy: -82.295133
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -21.758
flat angles P-C4'-P energy: -14.638
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: 8, replica: 8
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -220.121842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.121842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.223766 (E_RNA)
where:
Base-Base interactions energy: -134.735
where: short stacking energy: -69.357
Base-Backbone interact. energy: -0.040
local terms energy: -85.448987
where:
bonds (distance) C4'-P energy: -17.864
bonds (distance) P-C4' energy: -19.468
flat angles C4'-P-C4' energy: -18.338
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -17.711
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: 63
Temperature: 1.300000
Total energy: -211.726576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.726576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.753130 (E_RNA)
where:
Base-Base interactions energy: -138.077
where: short stacking energy: -78.400
Base-Backbone interact. energy: -0.057
local terms energy: -73.619127
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -18.791
flat angles C4'-P-C4' energy: -18.492
flat angles P-C4'-P energy: -7.490
tors. eta vs tors. theta energy: -15.869
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -209.023174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.023174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.194529 (E_RNA)
where:
Base-Base interactions energy: -125.693
where: short stacking energy: -62.164
Base-Backbone interact. energy: -0.205
local terms energy: -83.296383
where:
bonds (distance) C4'-P energy: -22.152
bonds (distance) P-C4' energy: -9.337
flat angles C4'-P-C4' energy: -21.011
flat angles P-C4'-P energy: -16.813
tors. eta vs tors. theta energy: -13.983
Dist. restrs. and SS energy: 0.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -286.721279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.721279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.771630 (E_RNA)
where:
Base-Base interactions energy: -172.962
where: short stacking energy: -96.174
Base-Backbone interact. energy: -0.019
local terms energy: -113.790808
where:
bonds (distance) C4'-P energy: -20.094
bonds (distance) P-C4' energy: -24.489
flat angles C4'-P-C4' energy: -22.833
flat angles P-C4'-P energy: -18.568
tors. eta vs tors. theta energy: -27.807
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: 7
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -274.447164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.447164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.786195 (E_RNA)
where:
Base-Base interactions energy: -176.707
where: short stacking energy: -103.696
Base-Backbone interact. energy: 0.188
local terms energy: -98.267494
where:
bonds (distance) C4'-P energy: -19.116
bonds (distance) P-C4' energy: -21.637
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -17.909
tors. eta vs tors. theta energy: -25.167
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: 3, replica: 1
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -279.380357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.380357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.506044 (E_RNA)
where:
Base-Base interactions energy: -173.633
where: short stacking energy: -95.012
Base-Backbone interact. energy: -0.833
local terms energy: -106.040104
where:
bonds (distance) C4'-P energy: -21.285
bonds (distance) P-C4' energy: -16.975
flat angles C4'-P-C4' energy: -24.368
flat angles P-C4'-P energy: -15.814
tors. eta vs tors. theta energy: -27.598
Dist. restrs. and SS energy: 1.126 (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: 3
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -268.948941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.948941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.959801 (E_RNA)
where:
Base-Base interactions energy: -174.475
where: short stacking energy: -96.330
Base-Backbone interact. energy: 1.265
local terms energy: -97.749530
where:
bonds (distance) C4'-P energy: -20.597
bonds (distance) P-C4' energy: -20.192
flat angles C4'-P-C4' energy: -22.991
flat angles P-C4'-P energy: -12.953
tors. eta vs tors. theta energy: -21.017
Dist. restrs. and SS energy: 2.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -247.968347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.968347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.065923 (E_RNA)
where:
Base-Base interactions energy: -160.573
where: short stacking energy: -79.908
Base-Backbone interact. energy: -0.254
local terms energy: -87.239128
where:
bonds (distance) C4'-P energy: -15.451
bonds (distance) P-C4' energy: -21.372
flat angles C4'-P-C4' energy: -20.343
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -19.193
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -258.780041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.780041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.877829 (E_RNA)
where:
Base-Base interactions energy: -155.599
where: short stacking energy: -83.547
Base-Backbone interact. energy: -0.507
local terms energy: -102.772733
where:
bonds (distance) C4'-P energy: -19.197
bonds (distance) P-C4' energy: -22.738
flat angles C4'-P-C4' energy: -22.086
flat angles P-C4'-P energy: -16.494
tors. eta vs tors. theta energy: -22.258
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -229.155317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.155317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.385409 (E_RNA)
where:
Base-Base interactions energy: -149.204
where: short stacking energy: -80.844
Base-Backbone interact. energy: 0.006
local terms energy: -80.188126
where:
bonds (distance) C4'-P energy: -9.671
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -22.333
flat angles P-C4'-P energy: -15.697
tors. eta vs tors. theta energy: -15.161
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: 8, replica: 10
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -229.969321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.969321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.082727 (E_RNA)
where:
Base-Base interactions energy: -133.686
where: short stacking energy: -74.139
Base-Backbone interact. energy: -0.795
local terms energy: -95.601833
where:
bonds (distance) C4'-P energy: -19.374
bonds (distance) P-C4' energy: -20.543
flat angles C4'-P-C4' energy: -21.531
flat angles P-C4'-P energy: -13.410
tors. eta vs tors. theta energy: -20.744
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: 64
Temperature: 1.300000
Total energy: -210.308035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.308035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.369350 (E_RNA)
where:
Base-Base interactions energy: -135.189
where: short stacking energy: -68.103
Base-Backbone interact. energy: -0.204
local terms energy: -74.975992
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -9.623
flat angles C4'-P-C4' energy: -24.121
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -14.686
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -201.723967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.723967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.862044 (E_RNA)
where:
Base-Base interactions energy: -123.492
where: short stacking energy: -59.479
Base-Backbone interact. energy: -0.372
local terms energy: -77.998237
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -20.157
flat angles C4'-P-C4' energy: -21.101
flat angles P-C4'-P energy: -7.464
tors. eta vs tors. theta energy: -12.802
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: 9
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -291.536757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.536757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.536757 (E_RNA)
where:
Base-Base interactions energy: -178.619
where: short stacking energy: -107.866
Base-Backbone interact. energy: -0.033
local terms energy: -112.885232
where:
bonds (distance) C4'-P energy: -23.368
bonds (distance) P-C4' energy: -24.307
flat angles C4'-P-C4' energy: -23.944
flat angles P-C4'-P energy: -13.158
tors. eta vs tors. theta energy: -28.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -292.044519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.044519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.707576 (E_RNA)
where:
Base-Base interactions energy: -177.620
where: short stacking energy: -93.680
Base-Backbone interact. energy: -0.003
local terms energy: -116.084405
where:
bonds (distance) C4'-P energy: -24.306
bonds (distance) P-C4' energy: -22.553
flat angles C4'-P-C4' energy: -20.999
flat angles P-C4'-P energy: -18.076
tors. eta vs tors. theta energy: -30.150
Dist. restrs. and SS energy: 1.663 (S_DIST_RNA)
chem. 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: -284.923923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.923923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.030743 (E_RNA)
where:
Base-Base interactions energy: -173.342
where: short stacking energy: -104.611
Base-Backbone interact. energy: -0.027
local terms energy: -111.662339
where:
bonds (distance) C4'-P energy: -24.054
bonds (distance) P-C4' energy: -23.500
flat angles C4'-P-C4' energy: -22.875
flat angles P-C4'-P energy: -12.105
tors. eta vs tors. theta energy: -29.128
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: 65
Temperature: 1.050000
Total energy: -274.971286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.971286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.585228 (E_RNA)
where:
Base-Base interactions energy: -169.551
where: short stacking energy: -96.317
Base-Backbone interact. energy: 1.022
local terms energy: -107.056238
where:
bonds (distance) C4'-P energy: -22.699
bonds (distance) P-C4' energy: -19.935
flat angles C4'-P-C4' energy: -24.243
flat angles P-C4'-P energy: -14.673
tors. eta vs tors. theta energy: -25.506
Dist. restrs. and SS energy: 0.614 (S_DIST_RNA)
chem. 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: -239.888594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.888594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.258289 (E_RNA)
where:
Base-Base interactions energy: -143.974
where: short stacking energy: -77.229
Base-Backbone interact. energy: -0.235
local terms energy: -96.049251
where:
bonds (distance) C4'-P energy: -22.012
bonds (distance) P-C4' energy: -22.374
flat angles C4'-P-C4' energy: -22.883
flat angles P-C4'-P energy: -13.541
tors. eta vs tors. theta energy: -15.240
Dist. restrs. and SS energy: 0.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -230.233309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.233309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.638009 (E_RNA)
where:
Base-Base interactions energy: -135.427
where: short stacking energy: -73.413
Base-Backbone interact. energy: -0.168
local terms energy: -95.042556
where:
bonds (distance) C4'-P energy: -18.489
bonds (distance) P-C4' energy: -26.544
flat angles C4'-P-C4' energy: -19.212
flat angles P-C4'-P energy: -14.726
tors. eta vs tors. theta energy: -16.071
Dist. restrs. and SS energy: 0.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -227.587829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.587829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.659926 (E_RNA)
where:
Base-Base interactions energy: -137.386
where: short stacking energy: -69.533
Base-Backbone interact. energy: 0.128
local terms energy: -90.401849
where:
bonds (distance) C4'-P energy: -22.345
bonds (distance) P-C4' energy: -17.923
flat angles C4'-P-C4' energy: -22.593
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -16.057
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: 65
Temperature: 1.250000
Total energy: -212.922827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.922827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.951881 (E_RNA)
where:
Base-Base interactions energy: -132.804
where: short stacking energy: -65.666
Base-Backbone interact. energy: -0.176
local terms energy: -79.972160
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -19.713
flat angles C4'-P-C4' energy: -17.958
flat angles P-C4'-P energy: -14.391
tors. eta vs tors. theta energy: -14.583
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -210.296843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.296843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.335504 (E_RNA)
where:
Base-Base interactions energy: -128.078
where: short stacking energy: -65.196
Base-Backbone interact. energy: -0.397
local terms energy: -81.860883
where:
bonds (distance) C4'-P energy: -22.239
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -19.517
flat angles P-C4'-P energy: -16.019
tors. eta vs tors. theta energy: -8.690
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: 5
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -214.936106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.936106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.322114 (E_RNA)
where:
Base-Base interactions energy: -123.681
where: short stacking energy: -63.776
Base-Backbone interact. energy: -0.297
local terms energy: -91.344123
where:
bonds (distance) C4'-P energy: -17.708
bonds (distance) P-C4' energy: -23.536
flat angles C4'-P-C4' energy: -19.070
flat angles P-C4'-P energy: -14.905
tors. eta vs tors. theta energy: -16.126
Dist. restrs. and SS energy: 0.386 (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: 1
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -307.948356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.948356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.768433 (E_RNA)
where:
Base-Base interactions energy: -191.884
where: short stacking energy: -112.244
Base-Backbone interact. energy: -0.216
local terms energy: -116.668624
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -20.912
flat angles C4'-P-C4' energy: -26.974
flat angles P-C4'-P energy: -19.147
tors. eta vs tors. theta energy: -32.656
Dist. restrs. and SS energy: 0.820 (S_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: -302.350012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.350012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.371945 (E_RNA)
where:
Base-Base interactions energy: -183.682
where: short stacking energy: -103.824
Base-Backbone interact. energy: -0.851
local terms energy: -117.838644
where:
bonds (distance) C4'-P energy: -23.472
bonds (distance) P-C4' energy: -20.939
flat angles C4'-P-C4' energy: -25.297
flat angles P-C4'-P energy: -16.363
tors. eta vs tors. theta energy: -31.767
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: 6
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -287.608853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.608853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.975314 (E_RNA)
where:
Base-Base interactions energy: -178.138
where: short stacking energy: -97.492
Base-Backbone interact. energy: -0.188
local terms energy: -110.648935
where:
bonds (distance) C4'-P energy: -21.101
bonds (distance) P-C4' energy: -23.017
flat angles C4'-P-C4' energy: -21.628
flat angles P-C4'-P energy: -17.646
tors. eta vs tors. theta energy: -27.256
Dist. restrs. and SS energy: 1.366 (S_DIST_RNA)
chem. 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: -275.642880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.642880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.992745 (E_RNA)
where:
Base-Base interactions energy: -175.996
where: short stacking energy: -93.089
Base-Backbone interact. energy: -0.125
local terms energy: -101.871412
where:
bonds (distance) C4'-P energy: -18.784
bonds (distance) P-C4' energy: -22.921
flat angles C4'-P-C4' energy: -22.437
flat angles P-C4'-P energy: -13.646
tors. eta vs tors. theta energy: -24.082
Dist. restrs. and SS energy: 2.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -269.144558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.144558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.385712 (E_RNA)
where:
Base-Base interactions energy: -160.765
where: short stacking energy: -91.837
Base-Backbone interact. energy: -0.325
local terms energy: -108.295540
where:
bonds (distance) C4'-P energy: -18.569
bonds (distance) P-C4' energy: -22.982
flat angles C4'-P-C4' energy: -20.400
flat angles P-C4'-P energy: -18.230
tors. eta vs tors. theta energy: -28.114
Dist. restrs. and SS energy: 0.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -233.215658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.215658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.378601 (E_RNA)
where:
Base-Base interactions energy: -145.661
where: short stacking energy: -80.491
Base-Backbone interact. energy: -0.889
local terms energy: -86.828112
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -20.694
flat angles C4'-P-C4' energy: -17.859
flat angles P-C4'-P energy: -15.912
tors. eta vs tors. theta energy: -19.040
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: 2
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -218.697717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.697717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.877239 (E_RNA)
where:
Base-Base interactions energy: -144.392
where: short stacking energy: -77.276
Base-Backbone interact. energy: 0.317
local terms energy: -74.802783
where:
bonds (distance) C4'-P energy: -15.189
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -23.134
flat angles P-C4'-P energy: -9.325
tors. eta vs tors. theta energy: -13.678
Dist. restrs. and SS energy: 0.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -228.671032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.671032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.722802 (E_RNA)
where:
Base-Base interactions energy: -143.606
where: short stacking energy: -69.182
Base-Backbone interact. energy: -0.322
local terms energy: -84.795080
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -22.989
flat angles C4'-P-C4' energy: -17.483
flat angles P-C4'-P energy: -14.663
tors. eta vs tors. theta energy: -12.748
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: 5
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -214.885277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.885277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.001326 (E_RNA)
where:
Base-Base interactions energy: -120.078
where: short stacking energy: -65.252
Base-Backbone interact. energy: -0.606
local terms energy: -94.317495
where:
bonds (distance) C4'-P energy: -18.331
bonds (distance) P-C4' energy: -23.402
flat angles C4'-P-C4' energy: -22.816
flat angles P-C4'-P energy: -14.116
tors. eta vs tors. theta energy: -15.653
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: 10
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -212.729821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.729821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.843128 (E_RNA)
where:
Base-Base interactions energy: -130.801
where: short stacking energy: -70.241
Base-Backbone interact. energy: 0.055
local terms energy: -82.097930
where:
bonds (distance) C4'-P energy: -12.684
bonds (distance) P-C4' energy: -23.570
flat angles C4'-P-C4' energy: -17.361
flat angles P-C4'-P energy: -14.710
tors. eta vs tors. theta energy: -13.773
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: 1, replica: 1
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -320.495129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.495129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.790540 (E_RNA)
where:
Base-Base interactions energy: -199.413
where: short stacking energy: -118.949
Base-Backbone interact. energy: -0.003
local terms energy: -122.374769
where:
bonds (distance) C4'-P energy: -24.211
bonds (distance) P-C4' energy: -19.711
flat angles C4'-P-C4' energy: -24.451
flat angles P-C4'-P energy: -18.446
tors. eta vs tors. theta energy: -35.556
Dist. restrs. and SS energy: 1.295 (S_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: 67
Temperature: 0.950000
Total energy: -299.564103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.564103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.564103 (E_RNA)
where:
Base-Base interactions energy: -180.917
where: short stacking energy: -109.559
Base-Backbone interact. energy: -0.057
local terms energy: -118.589278
where:
bonds (distance) C4'-P energy: -22.001
bonds (distance) P-C4' energy: -23.440
flat angles C4'-P-C4' energy: -19.106
flat angles P-C4'-P energy: -18.815
tors. eta vs tors. theta energy: -35.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -267.221935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.221935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.501993 (E_RNA)
where:
Base-Base interactions energy: -175.174
where: short stacking energy: -87.046
Base-Backbone interact. energy: -0.649
local terms energy: -91.678904
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -22.341
flat angles C4'-P-C4' energy: -18.688
flat angles P-C4'-P energy: -12.526
tors. eta vs tors. theta energy: -22.725
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: 4, replica: 7
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -275.628564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.628564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.644650 (E_RNA)
where:
Base-Base interactions energy: -171.206
where: short stacking energy: -105.324
Base-Backbone interact. energy: -0.099
local terms energy: -104.340426
where:
bonds (distance) C4'-P energy: -18.977
bonds (distance) P-C4' energy: -19.942
flat angles C4'-P-C4' energy: -23.221
flat angles P-C4'-P energy: -13.474
tors. eta vs tors. theta energy: -28.726
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -243.392959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.392959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.494073 (E_RNA)
where:
Base-Base interactions energy: -140.720
where: short stacking energy: -74.606
Base-Backbone interact. energy: 0.895
local terms energy: -103.668376
where:
bonds (distance) C4'-P energy: -25.594
bonds (distance) P-C4' energy: -21.565
flat angles C4'-P-C4' energy: -22.629
flat angles P-C4'-P energy: -12.672
tors. eta vs tors. theta energy: -21.209
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: 2
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -219.841356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.841356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.032033 (E_RNA)
where:
Base-Base interactions energy: -140.031
where: short stacking energy: -73.109
Base-Backbone interact. energy: -0.215
local terms energy: -79.785675
where:
bonds (distance) C4'-P energy: -16.776
bonds (distance) P-C4' energy: -17.307
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -14.602
tors. eta vs tors. theta energy: -16.126
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -226.966579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.966579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.649008 (E_RNA)
where:
Base-Base interactions energy: -135.857
where: short stacking energy: -67.715
Base-Backbone interact. energy: 1.818
local terms energy: -93.609650
where:
bonds (distance) C4'-P energy: -18.978
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -21.261
flat angles P-C4'-P energy: -18.060
tors. eta vs tors. theta energy: -18.291
Dist. restrs. and SS energy: 0.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -220.048561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.048561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.399865 (E_RNA)
where:
Base-Base interactions energy: -140.207
where: short stacking energy: -67.972
Base-Backbone interact. energy: -0.557
local terms energy: -79.636569
where:
bonds (distance) C4'-P energy: -16.456
bonds (distance) P-C4' energy: -14.643
flat angles C4'-P-C4' energy: -20.191
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -17.535
Dist. restrs. and SS energy: 0.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -219.728336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.728336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.210008 (E_RNA)
where:
Base-Base interactions energy: -144.565
where: short stacking energy: -66.270
Base-Backbone interact. energy: -0.032
local terms energy: -75.613022
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -19.199
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -12.819
tors. eta vs tors. theta energy: -12.989
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: 10
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -189.463673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.463673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.801350 (E_RNA)
where:
Base-Base interactions energy: -106.897
where: short stacking energy: -49.942
Base-Backbone interact. energy: 0.492
local terms energy: -83.396482
where:
bonds (distance) C4'-P energy: -22.584
bonds (distance) P-C4' energy: -24.759
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -9.931
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: 9
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -303.697854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.697854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.958765 (E_RNA)
where:
Base-Base interactions energy: -185.188
where: short stacking energy: -110.210
Base-Backbone interact. energy: -0.229
local terms energy: -118.541820
where:
bonds (distance) C4'-P energy: -24.144
bonds (distance) P-C4' energy: -22.674
flat angles C4'-P-C4' energy: -25.046
flat angles P-C4'-P energy: -13.818
tors. eta vs tors. theta energy: -32.860
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: 2, replica: 1
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -302.817235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.817235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.857946 (E_RNA)
where:
Base-Base interactions energy: -189.753
where: short stacking energy: -112.851
Base-Backbone interact. energy: -0.100
local terms energy: -113.004788
where:
bonds (distance) C4'-P energy: -22.493
bonds (distance) P-C4' energy: -21.058
flat angles C4'-P-C4' energy: -23.617
flat angles P-C4'-P energy: -15.826
tors. eta vs tors. theta energy: -30.010
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: 6
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -260.945527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.945527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.012152 (E_RNA)
where:
Base-Base interactions energy: -154.423
where: short stacking energy: -86.047
Base-Backbone interact. energy: 0.875
local terms energy: -107.464759
where:
bonds (distance) C4'-P energy: -20.381
bonds (distance) P-C4' energy: -20.666
flat angles C4'-P-C4' energy: -26.270
flat angles P-C4'-P energy: -17.752
tors. eta vs tors. theta energy: -22.396
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: 7
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -268.390144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.390144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.410406 (E_RNA)
where:
Base-Base interactions energy: -172.214
where: short stacking energy: -97.717
Base-Backbone interact. energy: -0.029
local terms energy: -96.167556
where:
bonds (distance) C4'-P energy: -17.715
bonds (distance) P-C4' energy: -20.143
flat angles C4'-P-C4' energy: -21.992
flat angles P-C4'-P energy: -13.189
tors. eta vs tors. theta energy: -23.129
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: 68
Temperature: 1.100000
Total energy: -234.148315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.148315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.155975 (E_RNA)
where:
Base-Base interactions energy: -142.111
where: short stacking energy: -74.901
Base-Backbone interact. energy: -0.331
local terms energy: -91.714275
where:
bonds (distance) C4'-P energy: -20.836
bonds (distance) P-C4' energy: -20.106
flat angles C4'-P-C4' energy: -19.998
flat angles P-C4'-P energy: -16.765
tors. eta vs tors. theta energy: -14.009
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -244.945293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.945293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.210567 (E_RNA)
where:
Base-Base interactions energy: -149.184
where: short stacking energy: -82.684
Base-Backbone interact. energy: -0.762
local terms energy: -95.264852
where:
bonds (distance) C4'-P energy: -17.044
bonds (distance) P-C4' energy: -23.421
flat angles C4'-P-C4' energy: -19.799
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -24.597
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: 7, replica: 8
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -213.989966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.989966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.095481 (E_RNA)
where:
Base-Base interactions energy: -135.606
where: short stacking energy: -71.186
Base-Backbone interact. energy: -0.485
local terms energy: -78.004621
where:
bonds (distance) C4'-P energy: -16.946
bonds (distance) P-C4' energy: -22.336
flat angles C4'-P-C4' energy: -17.764
flat angles P-C4'-P energy: -13.268
tors. eta vs tors. theta energy: -7.691
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: 4
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -205.621551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.621551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.707946 (E_RNA)
where:
Base-Base interactions energy: -121.547
where: short stacking energy: -64.319
Base-Backbone interact. energy: 0.662
local terms energy: -84.822833
where:
bonds (distance) C4'-P energy: -9.949
bonds (distance) P-C4' energy: -21.495
flat angles C4'-P-C4' energy: -21.939
flat angles P-C4'-P energy: -13.086
tors. eta vs tors. theta energy: -18.353
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: 10
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -199.151934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.151934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.193177 (E_RNA)
where:
Base-Base interactions energy: -122.677
where: short stacking energy: -66.498
Base-Backbone interact. energy: -0.125
local terms energy: -76.391234
where:
bonds (distance) C4'-P energy: -19.748
bonds (distance) P-C4' energy: -19.449
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -11.621
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: 68
Temperature: 1.350000
Total energy: -212.211560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.211560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.541036 (E_RNA)
where:
Base-Base interactions energy: -132.390
where: short stacking energy: -59.281
Base-Backbone interact. energy: -0.979
local terms energy: -79.171798
where:
bonds (distance) C4'-P energy: -23.195
bonds (distance) P-C4' energy: -17.223
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: -10.953
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: 9
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -302.194532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.194532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.210162 (E_RNA)
where:
Base-Base interactions energy: -182.934
where: short stacking energy: -114.359
Base-Backbone interact. energy: -0.936
local terms energy: -118.339567
where:
bonds (distance) C4'-P energy: -21.665
bonds (distance) P-C4' energy: -21.323
flat angles C4'-P-C4' energy: -25.526
flat angles P-C4'-P energy: -16.351
tors. eta vs tors. theta energy: -33.475
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: 6
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -290.616388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.616388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.785739 (E_RNA)
where:
Base-Base interactions energy: -185.241
where: short stacking energy: -102.430
Base-Backbone interact. energy: -0.009
local terms energy: -106.536127
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -22.527
flat angles C4'-P-C4' energy: -25.263
flat angles P-C4'-P energy: -14.489
tors. eta vs tors. theta energy: -28.429
Dist. restrs. and SS energy: 1.169 (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: 1
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -299.777557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.777557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.951924 (E_RNA)
where:
Base-Base interactions energy: -182.598
where: short stacking energy: -107.711
Base-Backbone interact. energy: -0.004
local terms energy: -117.350036
where:
bonds (distance) C4'-P energy: -22.646
bonds (distance) P-C4' energy: -25.981
flat angles C4'-P-C4' energy: -23.682
flat angles P-C4'-P energy: -13.851
tors. eta vs tors. theta energy: -31.190
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: 4, replica: 2
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -257.989419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.989419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.014154 (E_RNA)
where:
Base-Base interactions energy: -158.660
where: short stacking energy: -88.983
Base-Backbone interact. energy: -0.273
local terms energy: -99.080782
where:
bonds (distance) C4'-P energy: -20.335
bonds (distance) P-C4' energy: -20.958
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -14.814
tors. eta vs tors. theta energy: -25.532
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -237.914215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.914215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.134637 (E_RNA)
where:
Base-Base interactions energy: -145.845
where: short stacking energy: -83.130
Base-Backbone interact. energy: -0.070
local terms energy: -92.219263
where:
bonds (distance) C4'-P energy: -15.019
bonds (distance) P-C4' energy: -22.210
flat angles C4'-P-C4' energy: -22.719
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -20.870
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: 8
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -237.448851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.448851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.465239 (E_RNA)
where:
Base-Base interactions energy: -150.466
where: short stacking energy: -84.798
Base-Backbone interact. energy: -0.087
local terms energy: -86.913020
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -20.429
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -13.260
tors. eta vs tors. theta energy: -22.173
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: 3
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -224.120938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.120938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.167382 (E_RNA)
where:
Base-Base interactions energy: -142.336
where: short stacking energy: -79.852
Base-Backbone interact. energy: -0.170
local terms energy: -81.660595
where:
bonds (distance) C4'-P energy: -12.503
bonds (distance) P-C4' energy: -21.193
flat angles C4'-P-C4' energy: -19.728
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -16.881
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -217.194264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.194264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.330533 (E_RNA)
where:
Base-Base interactions energy: -129.134
where: short stacking energy: -68.604
Base-Backbone interact. energy: -0.089
local terms energy: -88.107800
where:
bonds (distance) C4'-P energy: -20.903
bonds (distance) P-C4' energy: -22.083
flat angles C4'-P-C4' energy: -18.692
flat angles P-C4'-P energy: -13.594
tors. eta vs tors. theta energy: -12.836
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: 10
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -217.730618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.730618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.766037 (E_RNA)
where:
Base-Base interactions energy: -135.646
where: short stacking energy: -72.742
Base-Backbone interact. energy: 0.296
local terms energy: -82.415622
where:
bonds (distance) C4'-P energy: -5.306
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -23.368
flat angles P-C4'-P energy: -13.350
tors. eta vs tors. theta energy: -20.907
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: 69
Temperature: 1.350000
Total energy: -206.991125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.991125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.324274 (E_RNA)
where:
Base-Base interactions energy: -127.646
where: short stacking energy: -58.265
Base-Backbone interact. energy: 0.323
local terms energy: -80.001038
where:
bonds (distance) C4'-P energy: -20.836
bonds (distance) P-C4' energy: -18.462
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -12.710
tors. eta vs tors. theta energy: -13.167
Dist. restrs. and SS energy: 0.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -304.663442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.663442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.698594 (E_RNA)
where:
Base-Base interactions energy: -189.949
where: short stacking energy: -116.203
Base-Backbone interact. energy: -0.003
local terms energy: -114.746305
where:
bonds (distance) C4'-P energy: -23.702
bonds (distance) P-C4' energy: -23.534
flat angles C4'-P-C4' energy: -24.091
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -30.530
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: 9
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -292.692338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.692338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.990939 (E_RNA)
where:
Base-Base interactions energy: -182.353
where: short stacking energy: -109.292
Base-Backbone interact. energy: -0.009
local terms energy: -110.628567
where:
bonds (distance) C4'-P energy: -19.822
bonds (distance) P-C4' energy: -20.424
flat angles C4'-P-C4' energy: -24.341
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -35.878
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: 3, replica: 2
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -281.842943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.842943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.955189 (E_RNA)
where:
Base-Base interactions energy: -164.139
where: short stacking energy: -96.715
Base-Backbone interact. energy: 0.585
local terms energy: -118.401192
where:
bonds (distance) C4'-P energy: -25.567
bonds (distance) P-C4' energy: -23.257
flat angles C4'-P-C4' energy: -23.906
flat angles P-C4'-P energy: -15.889
tors. eta vs tors. theta energy: -29.782
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: 4, replica: 1
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -276.851734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.851734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.865624 (E_RNA)
where:
Base-Base interactions energy: -165.514
where: short stacking energy: -88.128
Base-Backbone interact. energy: -0.057
local terms energy: -111.295038
where:
bonds (distance) C4'-P energy: -21.112
bonds (distance) P-C4' energy: -23.323
flat angles C4'-P-C4' energy: -26.242
flat angles P-C4'-P energy: -14.099
tors. eta vs tors. theta energy: -26.519
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: 8
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -249.517608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.517608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.653602 (E_RNA)
where:
Base-Base interactions energy: -151.768
where: short stacking energy: -86.198
Base-Backbone interact. energy: -0.123
local terms energy: -97.762881
where:
bonds (distance) C4'-P energy: -21.632
bonds (distance) P-C4' energy: -17.898
flat angles C4'-P-C4' energy: -20.316
flat angles P-C4'-P energy: -14.033
tors. eta vs tors. theta energy: -23.884
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: 7
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -239.760093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.760093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.762487 (E_RNA)
where:
Base-Base interactions energy: -148.723
where: short stacking energy: -76.909
Base-Backbone interact. energy: -0.180
local terms energy: -90.858952
where:
bonds (distance) C4'-P energy: -17.011
bonds (distance) P-C4' energy: -23.417
flat angles C4'-P-C4' energy: -22.595
flat angles P-C4'-P energy: -8.119
tors. eta vs tors. theta energy: -19.717
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: 3
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -226.712536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.712536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.761482 (E_RNA)
where:
Base-Base interactions energy: -131.609
where: short stacking energy: -62.278
Base-Backbone interact. energy: -0.057
local terms energy: -95.096411
where:
bonds (distance) C4'-P energy: -21.246
bonds (distance) P-C4' energy: -16.974
flat angles C4'-P-C4' energy: -22.889
flat angles P-C4'-P energy: -17.524
tors. eta vs tors. theta energy: -16.464
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: 70
Temperature: 1.250000
Total energy: -231.434202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.434202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.849247 (E_RNA)
where:
Base-Base interactions energy: -144.238
where: short stacking energy: -68.605
Base-Backbone interact. energy: -0.116
local terms energy: -87.495536
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -19.305
flat angles C4'-P-C4' energy: -18.556
flat angles P-C4'-P energy: -14.409
tors. eta vs tors. theta energy: -17.488
Dist. restrs. and SS energy: 0.415 (S_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: 70
Temperature: 1.300000
Total energy: -213.137680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.137680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.269511 (E_RNA)
where:
Base-Base interactions energy: -122.431
where: short stacking energy: -62.803
Base-Backbone interact. energy: -0.018
local terms energy: -90.819952
where:
bonds (distance) C4'-P energy: -18.621
bonds (distance) P-C4' energy: -22.819
flat angles C4'-P-C4' energy: -21.909
flat angles P-C4'-P energy: -16.668
tors. eta vs tors. theta energy: -10.803
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: 5
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -204.138052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.138052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.240250 (E_RNA)
where:
Base-Base interactions energy: -116.182
where: short stacking energy: -56.940
Base-Backbone interact. energy: -0.576
local terms energy: -87.481810
where:
bonds (distance) C4'-P energy: -22.707
bonds (distance) P-C4' energy: -24.480
flat angles C4'-P-C4' energy: -17.888
flat angles P-C4'-P energy: -7.288
tors. eta vs tors. theta energy: -15.119
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: 71
Temperature: 0.900000
Total energy: -283.103789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.103789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.469599 (E_RNA)
where:
Base-Base interactions energy: -176.043
where: short stacking energy: -95.323
Base-Backbone interact. energy: -0.072
local terms energy: -107.354490
where:
bonds (distance) C4'-P energy: -21.118
bonds (distance) P-C4' energy: -23.492
flat angles C4'-P-C4' energy: -17.988
flat angles P-C4'-P energy: -16.285
tors. eta vs tors. theta energy: -28.470
Dist. restrs. and SS energy: 0.366 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -287.763161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.763161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.764204 (E_RNA)
where:
Base-Base interactions energy: -172.675
where: short stacking energy: -92.672
Base-Backbone interact. energy: -0.084
local terms energy: -117.005211
where:
bonds (distance) C4'-P energy: -22.806
bonds (distance) P-C4' energy: -24.592
flat angles C4'-P-C4' energy: -24.720
flat angles P-C4'-P energy: -16.046
tors. eta vs tors. theta energy: -28.841
Dist. restrs. and SS energy: 2.001 (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: 71
Temperature: 1.000000
Total energy: -284.135938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.135938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.311080 (E_RNA)
where:
Base-Base interactions energy: -179.077
where: short stacking energy: -103.807
Base-Backbone interact. energy: -0.045
local terms energy: -105.188711
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -22.437
flat angles C4'-P-C4' energy: -23.216
flat angles P-C4'-P energy: -15.513
tors. eta vs tors. theta energy: -28.323
Dist. restrs. and SS energy: 0.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -269.202098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.202098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.472492 (E_RNA)
where:
Base-Base interactions energy: -160.694
where: short stacking energy: -96.307
Base-Backbone interact. energy: -0.144
local terms energy: -108.634016
where:
bonds (distance) C4'-P energy: -24.828
bonds (distance) P-C4' energy: -22.165
flat angles C4'-P-C4' energy: -20.921
flat angles P-C4'-P energy: -15.716
tors. eta vs tors. theta energy: -25.004
Dist. restrs. and SS energy: 0.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -258.885868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.885868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.092009 (E_RNA)
where:
Base-Base interactions energy: -167.346
where: short stacking energy: -90.527
Base-Backbone interact. energy: -0.049
local terms energy: -92.697148
where:
bonds (distance) C4'-P energy: -20.046
bonds (distance) P-C4' energy: -21.834
flat angles C4'-P-C4' energy: -18.496
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: -22.664
Dist. restrs. and SS energy: 1.206 (S_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: 71
Temperature: 1.150000
Total energy: -220.859923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.859923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.023303 (E_RNA)
where:
Base-Base interactions energy: -140.379
where: short stacking energy: -78.587
Base-Backbone interact. energy: -0.853
local terms energy: -79.790786
where:
bonds (distance) C4'-P energy: -17.939
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -20.823
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -13.299
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: 7
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -235.077474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.077474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.140870 (E_RNA)
where:
Base-Base interactions energy: -141.705
where: short stacking energy: -77.517
Base-Backbone interact. energy: -0.285
local terms energy: -93.150590
where:
bonds (distance) C4'-P energy: -17.453
bonds (distance) P-C4' energy: -24.881
flat angles C4'-P-C4' energy: -23.450
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -16.358
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -224.753902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.753902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.529918 (E_RNA)
where:
Base-Base interactions energy: -139.344
where: short stacking energy: -62.204
Base-Backbone interact. energy: -0.144
local terms energy: -86.041947
where:
bonds (distance) C4'-P energy: -19.429
bonds (distance) P-C4' energy: -24.535
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -15.546
tors. eta vs tors. theta energy: -12.716
Dist. restrs. and SS energy: 0.776 (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: 10
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -209.109013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.109013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.137182 (E_RNA)
where:
Base-Base interactions energy: -123.203
where: short stacking energy: -61.636
Base-Backbone interact. energy: -0.150
local terms energy: -85.783315
where:
bonds (distance) C4'-P energy: -15.048
bonds (distance) P-C4' energy: -23.368
flat angles C4'-P-C4' energy: -21.242
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -16.551
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: 5
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -204.551502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.551502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.800897 (E_RNA)
where:
Base-Base interactions energy: -128.658
where: short stacking energy: -61.048
Base-Backbone interact. energy: 2.250
local terms energy: -78.393470
where:
bonds (distance) C4'-P energy: -18.106
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -21.590
flat angles P-C4'-P energy: -16.665
tors. eta vs tors. theta energy: -7.323
Dist. restrs. and SS energy: 0.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -282.790889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.790889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.895421 (E_RNA)
where:
Base-Base interactions energy: -171.541
where: short stacking energy: -101.533
Base-Backbone interact. energy: -0.189
local terms energy: -111.166068
where:
bonds (distance) C4'-P energy: -22.345
bonds (distance) P-C4' energy: -21.051
flat angles C4'-P-C4' energy: -22.509
flat angles P-C4'-P energy: -12.710
tors. eta vs tors. theta energy: -32.552
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: 6
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -276.365960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.365960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.615502 (E_RNA)
where:
Base-Base interactions energy: -168.036
where: short stacking energy: -92.334
Base-Backbone interact. energy: -0.201
local terms energy: -109.379240
where:
bonds (distance) C4'-P energy: -23.423
bonds (distance) P-C4' energy: -22.483
flat angles C4'-P-C4' energy: -22.888
flat angles P-C4'-P energy: -16.942
tors. eta vs tors. theta energy: -23.643
Dist. restrs. and SS energy: 1.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -284.729769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.729769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.536282 (E_RNA)
where:
Base-Base interactions energy: -174.589
where: short stacking energy: -92.448
Base-Backbone interact. energy: -0.389
local terms energy: -110.558224
where:
bonds (distance) C4'-P energy: -21.027
bonds (distance) P-C4' energy: -18.602
flat angles C4'-P-C4' energy: -23.456
flat angles P-C4'-P energy: -16.755
tors. eta vs tors. theta energy: -30.718
Dist. restrs. and SS energy: 0.807 (S_DIST_RNA)
chem. 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: -265.466657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.466657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.495167 (E_RNA)
where:
Base-Base interactions energy: -157.099
where: short stacking energy: -92.334
Base-Backbone interact. energy: -0.717
local terms energy: -107.679678
where:
bonds (distance) C4'-P energy: -19.942
bonds (distance) P-C4' energy: -23.105
flat angles C4'-P-C4' energy: -19.891
flat angles P-C4'-P energy: -18.767
tors. eta vs tors. theta energy: -25.974
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: 72
Temperature: 1.100000
Total energy: -243.668245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.668245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.791641 (E_RNA)
where:
Base-Base interactions energy: -143.677
where: short stacking energy: -79.934
Base-Backbone interact. energy: -0.049
local terms energy: -100.065342
where:
bonds (distance) C4'-P energy: -22.662
bonds (distance) P-C4' energy: -21.278
flat angles C4'-P-C4' energy: -21.420
flat angles P-C4'-P energy: -13.112
tors. eta vs tors. theta energy: -21.594
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: 3
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -219.078211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.078211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.093273 (E_RNA)
where:
Base-Base interactions energy: -124.524
where: short stacking energy: -65.803
Base-Backbone interact. energy: -0.706
local terms energy: -93.863301
where:
bonds (distance) C4'-P energy: -20.388
bonds (distance) P-C4' energy: -21.726
flat angles C4'-P-C4' energy: -21.416
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -20.101
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -227.568091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.568091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.645733 (E_RNA)
where:
Base-Base interactions energy: -139.134
where: short stacking energy: -74.497
Base-Backbone interact. energy: -0.054
local terms energy: -88.457047
where:
bonds (distance) C4'-P energy: -22.330
bonds (distance) P-C4' energy: -12.749
flat angles C4'-P-C4' energy: -19.736
flat angles P-C4'-P energy: -13.784
tors. eta vs tors. theta energy: -19.858
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: 72
Temperature: 1.250000
Total energy: -236.239152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.239152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.293408 (E_RNA)
where:
Base-Base interactions energy: -145.654
where: short stacking energy: -82.865
Base-Backbone interact. energy: -0.002
local terms energy: -90.637386
where:
bonds (distance) C4'-P energy: -20.632
bonds (distance) P-C4' energy: -10.322
flat angles C4'-P-C4' energy: -22.400
flat angles P-C4'-P energy: -15.427
tors. eta vs tors. theta energy: -21.856
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: 5
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -210.015287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.015287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.162002 (E_RNA)
where:
Base-Base interactions energy: -132.054
where: short stacking energy: -72.990
Base-Backbone interact. energy: -0.043
local terms energy: -78.065955
where:
bonds (distance) C4'-P energy: -19.612
bonds (distance) P-C4' energy: -19.942
flat angles C4'-P-C4' energy: -16.879
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -10.209
Dist. restrs. and SS energy: 0.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -198.153900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.153900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.281669 (E_RNA)
where:
Base-Base interactions energy: -109.994
where: short stacking energy: -50.178
Base-Backbone interact. energy: -0.371
local terms energy: -87.916829
where:
bonds (distance) C4'-P energy: -18.482
bonds (distance) P-C4' energy: -22.580
flat angles C4'-P-C4' energy: -21.693
flat angles P-C4'-P energy: -17.881
tors. eta vs tors. theta energy: -7.281
Dist. restrs. and SS energy: 0.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -291.995069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.995069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.008522 (E_RNA)
where:
Base-Base interactions energy: -182.582
where: short stacking energy: -105.760
Base-Backbone interact. energy: -0.083
local terms energy: -111.342736
where:
bonds (distance) C4'-P energy: -20.550
bonds (distance) P-C4' energy: -23.458
flat angles C4'-P-C4' energy: -19.930
flat angles P-C4'-P energy: -18.474
tors. eta vs tors. theta energy: -28.931
Dist. restrs. and SS energy: 2.013 (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: 73
Temperature: 0.950000
Total energy: -285.975467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.975467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.696362 (E_RNA)
where:
Base-Base interactions energy: -187.036
where: short stacking energy: -97.775
Base-Backbone interact. energy: -0.073
local terms energy: -100.587330
where:
bonds (distance) C4'-P energy: -20.771
bonds (distance) P-C4' energy: -19.446
flat angles C4'-P-C4' energy: -17.864
flat angles P-C4'-P energy: -16.461
tors. eta vs tors. theta energy: -26.045
Dist. restrs. and SS energy: 1.721 (S_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: 73
Temperature: 1.000000
Total energy: -294.521387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.521387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.859476 (E_RNA)
where:
Base-Base interactions energy: -175.988
where: short stacking energy: -99.704
Base-Backbone interact. energy: -0.001
local terms energy: -120.870523
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -21.171
flat angles C4'-P-C4' energy: -27.334
flat angles P-C4'-P energy: -19.639
tors. eta vs tors. theta energy: -36.506
Dist. restrs. and SS energy: 2.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -270.872696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.872696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.973434 (E_RNA)
where:
Base-Base interactions energy: -167.669
where: short stacking energy: -88.909
Base-Backbone interact. energy: -0.016
local terms energy: -103.288437
where:
bonds (distance) C4'-P energy: -22.692
bonds (distance) P-C4' energy: -22.296
flat angles C4'-P-C4' energy: -20.762
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -25.926
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: 8
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -233.616714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.616714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.668738 (E_RNA)
where:
Base-Base interactions energy: -134.651
where: short stacking energy: -64.324
Base-Backbone interact. energy: -0.811
local terms energy: -98.207646
where:
bonds (distance) C4'-P energy: -21.722
bonds (distance) P-C4' energy: -24.166
flat angles C4'-P-C4' energy: -19.717
flat angles P-C4'-P energy: -15.018
tors. eta vs tors. theta energy: -17.585
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: 73
Temperature: 1.150000
Total energy: -223.895669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.895669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.961428 (E_RNA)
where:
Base-Base interactions energy: -132.854
where: short stacking energy: -68.315
Base-Backbone interact. energy: -0.161
local terms energy: -90.946962
where:
bonds (distance) C4'-P energy: -16.539
bonds (distance) P-C4' energy: -22.598
flat angles C4'-P-C4' energy: -19.188
flat angles P-C4'-P energy: -18.683
tors. eta vs tors. theta energy: -13.940
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -224.993069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.993069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.103122 (E_RNA)
where:
Base-Base interactions energy: -149.124
where: short stacking energy: -74.984
Base-Backbone interact. energy: -0.330
local terms energy: -75.649056
where:
bonds (distance) C4'-P energy: -17.256
bonds (distance) P-C4' energy: -12.404
flat angles C4'-P-C4' energy: -22.198
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: -15.458
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: 73
Temperature: 1.250000
Total energy: -251.201056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.201056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.201056 (E_RNA)
where:
Base-Base interactions energy: -152.542
where: short stacking energy: -83.908
Base-Backbone interact. energy: -0.010
local terms energy: -98.649725
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -20.723
flat angles C4'-P-C4' energy: -23.135
flat angles P-C4'-P energy: -13.597
tors. eta vs tors. theta energy: -27.226
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -213.889879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.889879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.641772 (E_RNA)
where:
Base-Base interactions energy: -141.569
where: short stacking energy: -68.662
Base-Backbone interact. energy: 1.569
local terms energy: -74.641513
where:
bonds (distance) C4'-P energy: -16.407
bonds (distance) P-C4' energy: -14.015
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -13.871
tors. eta vs tors. theta energy: -13.156
Dist. restrs. and SS energy: 0.752 (S_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: 73
Temperature: 1.350000
Total energy: -197.334187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.334187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.502619 (E_RNA)
where:
Base-Base interactions energy: -117.622
where: short stacking energy: -58.928
Base-Backbone interact. energy: 0.548
local terms energy: -80.428281
where:
bonds (distance) C4'-P energy: -18.178
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -20.456
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -12.561
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: 2
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -302.330089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.330089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.087003 (E_RNA)
where:
Base-Base interactions energy: -188.024
where: short stacking energy: -99.578
Base-Backbone interact. energy: -0.019
local terms energy: -116.043946
where:
bonds (distance) C4'-P energy: -20.397
bonds (distance) P-C4' energy: -23.248
flat angles C4'-P-C4' energy: -25.495
flat angles P-C4'-P energy: -17.555
tors. eta vs tors. theta energy: -29.350
Dist. restrs. and SS energy: 1.757 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -291.288918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.288918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.605209 (E_RNA)
where:
Base-Base interactions energy: -186.226
where: short stacking energy: -106.317
Base-Backbone interact. energy: -0.209
local terms energy: -106.170166
where:
bonds (distance) C4'-P energy: -19.413
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -23.974
flat angles P-C4'-P energy: -14.539
tors. eta vs tors. theta energy: -31.890
Dist. restrs. and SS energy: 1.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -264.929813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.929813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.013124 (E_RNA)
where:
Base-Base interactions energy: -155.953
where: short stacking energy: -86.740
Base-Backbone interact. energy: -1.258
local terms energy: -107.802026
where:
bonds (distance) C4'-P energy: -21.665
bonds (distance) P-C4' energy: -22.676
flat angles C4'-P-C4' energy: -21.847
flat angles P-C4'-P energy: -14.724
tors. eta vs tors. theta energy: -26.890
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: 74
Temperature: 1.050000
Total energy: -245.983923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.983923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.260339 (E_RNA)
where:
Base-Base interactions energy: -143.968
where: short stacking energy: -76.867
Base-Backbone interact. energy: -0.302
local terms energy: -101.989738
where:
bonds (distance) C4'-P energy: -21.545
bonds (distance) P-C4' energy: -21.525
flat angles C4'-P-C4' energy: -18.206
flat angles P-C4'-P energy: -20.205
tors. eta vs tors. theta energy: -20.509
Dist. restrs. and SS energy: 0.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -239.597845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.597845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.677894 (E_RNA)
where:
Base-Base interactions energy: -141.876
where: short stacking energy: -75.378
Base-Backbone interact. energy: 0.108
local terms energy: -97.909483
where:
bonds (distance) C4'-P energy: -22.531
bonds (distance) P-C4' energy: -23.211
flat angles C4'-P-C4' energy: -16.727
flat angles P-C4'-P energy: -14.666
tors. eta vs tors. theta energy: -20.774
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: 7
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -222.981303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.981303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.231383 (E_RNA)
where:
Base-Base interactions energy: -132.424
where: short stacking energy: -76.642
Base-Backbone interact. energy: -0.142
local terms energy: -90.665269
where:
bonds (distance) C4'-P energy: -19.777
bonds (distance) P-C4' energy: -24.433
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -13.880
tors. eta vs tors. theta energy: -19.919
Dist. restrs. and SS energy: 0.250 (S_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: 74
Temperature: 1.200000
Total energy: -216.231001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.231001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.257620 (E_RNA)
where:
Base-Base interactions energy: -129.020
where: short stacking energy: -63.410
Base-Backbone interact. energy: 0.097
local terms energy: -87.334014
where:
bonds (distance) C4'-P energy: -18.746
bonds (distance) P-C4' energy: -21.626
flat angles C4'-P-C4' energy: -22.531
flat angles P-C4'-P energy: -16.096
tors. eta vs tors. theta energy: -8.335
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: 3
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -217.685356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.685356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.850549 (E_RNA)
where:
Base-Base interactions energy: -142.291
where: short stacking energy: -60.364
Base-Backbone interact. energy: 2.314
local terms energy: -77.873077
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -19.060
flat angles P-C4'-P energy: -12.110
tors. eta vs tors. theta energy: -11.602
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: 10
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -203.858336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.858336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.860971 (E_RNA)
where:
Base-Base interactions energy: -124.905
where: short stacking energy: -53.192
Base-Backbone interact. energy: 0.063
local terms energy: -79.018775
where:
bonds (distance) C4'-P energy: -20.352
bonds (distance) P-C4' energy: -21.636
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -14.509
tors. eta vs tors. theta energy: -7.814
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: 5
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -187.411889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.411889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.505975 (E_RNA)
where:
Base-Base interactions energy: -116.482
where: short stacking energy: -52.433
Base-Backbone interact. energy: 0.391
local terms energy: -71.415323
where:
bonds (distance) C4'-P energy: -18.437
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -19.805
flat angles P-C4'-P energy: -9.964
tors. eta vs tors. theta energy: -6.906
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: 2
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -303.945262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.945262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.966981 (E_RNA)
where:
Base-Base interactions energy: -180.449
where: short stacking energy: -108.658
Base-Backbone interact. energy: -0.011
local terms energy: -123.506680
where:
bonds (distance) C4'-P energy: -22.279
bonds (distance) P-C4' energy: -26.094
flat angles C4'-P-C4' energy: -27.005
flat angles P-C4'-P energy: -13.670
tors. eta vs tors. theta energy: -34.460
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: 75
Temperature: 0.950000
Total energy: -292.654948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.654948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.698465 (E_RNA)
where:
Base-Base interactions energy: -177.609
where: short stacking energy: -109.092
Base-Backbone interact. energy: -0.047
local terms energy: -115.041747
where:
bonds (distance) C4'-P energy: -19.111
bonds (distance) P-C4' energy: -25.545
flat angles C4'-P-C4' energy: -21.917
flat angles P-C4'-P energy: -17.066
tors. eta vs tors. theta energy: -31.404
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: 75
Temperature: 1.000000
Total energy: -269.143979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.143979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.480970 (E_RNA)
where:
Base-Base interactions energy: -166.090
where: short stacking energy: -91.549
Base-Backbone interact. energy: -0.454
local terms energy: -102.936884
where:
bonds (distance) C4'-P energy: -19.207
bonds (distance) P-C4' energy: -25.030
flat angles C4'-P-C4' energy: -20.732
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -24.530
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: 4, replica: 8
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -272.120724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.120724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.154016 (E_RNA)
where:
Base-Base interactions energy: -160.213
where: short stacking energy: -88.600
Base-Backbone interact. energy: -0.968
local terms energy: -110.972287
where:
bonds (distance) C4'-P energy: -20.352
bonds (distance) P-C4' energy: -26.630
flat angles C4'-P-C4' energy: -19.716
flat angles P-C4'-P energy: -18.493
tors. eta vs tors. theta energy: -25.781
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: 6
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -253.362823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.362823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.484541 (E_RNA)
where:
Base-Base interactions energy: -159.749
where: short stacking energy: -78.921
Base-Backbone interact. energy: 3.196
local terms energy: -96.931202
where:
bonds (distance) C4'-P energy: -17.971
bonds (distance) P-C4' energy: -22.912
flat angles C4'-P-C4' energy: -18.144
flat angles P-C4'-P energy: -14.943
tors. eta vs tors. theta energy: -22.962
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -237.848660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.848660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.167352 (E_RNA)
where:
Base-Base interactions energy: -141.079
where: short stacking energy: -75.078
Base-Backbone interact. energy: -0.064
local terms energy: -98.024629
where:
bonds (distance) C4'-P energy: -20.287
bonds (distance) P-C4' energy: -20.966
flat angles C4'-P-C4' energy: -25.669
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -21.316
Dist. restrs. and SS energy: 1.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -226.054888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.054888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.084369 (E_RNA)
where:
Base-Base interactions energy: -135.533
where: short stacking energy: -77.964
Base-Backbone interact. energy: -1.776
local terms energy: -88.775155
where:
bonds (distance) C4'-P energy: -19.684
bonds (distance) P-C4' energy: -19.767
flat angles C4'-P-C4' energy: -19.572
flat angles P-C4'-P energy: -15.504
tors. eta vs tors. theta energy: -14.248
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: 8, replica: 3
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -212.650694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.650694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.823353 (E_RNA)
where:
Base-Base interactions energy: -123.848
where: short stacking energy: -67.307
Base-Backbone interact. energy: 1.389
local terms energy: -90.364159
where:
bonds (distance) C4'-P energy: -19.545
bonds (distance) P-C4' energy: -23.834
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -13.924
tors. eta vs tors. theta energy: -16.951
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: 9, replica: 10
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -196.104101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.104101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.104888 (E_RNA)
where:
Base-Base interactions energy: -120.041
where: short stacking energy: -58.518
Base-Backbone interact. energy: -0.360
local terms energy: -75.703711
where:
bonds (distance) C4'-P energy: -19.517
bonds (distance) P-C4' energy: -19.738
flat angles C4'-P-C4' energy: -19.618
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: -9.005
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -197.151322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.151322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.564431 (E_RNA)
where:
Base-Base interactions energy: -130.067
where: short stacking energy: -45.752
Base-Backbone interact. energy: -0.637
local terms energy: -67.860467
where:
bonds (distance) C4'-P energy: -17.662
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -15.996
tors. eta vs tors. theta energy: -3.217
Dist. restrs. and SS energy: 1.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -299.395972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.395972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.500636 (E_RNA)
where:
Base-Base interactions energy: -178.639
where: short stacking energy: -105.378
Base-Backbone interact. energy: -0.009
local terms energy: -120.853388
where:
bonds (distance) C4'-P energy: -24.171
bonds (distance) P-C4' energy: -22.833
flat angles C4'-P-C4' energy: -26.195
flat angles P-C4'-P energy: -18.558
tors. eta vs tors. theta energy: -29.097
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: 76
Temperature: 0.950000
Total energy: -285.311551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.311551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.344870 (E_RNA)
where:
Base-Base interactions energy: -174.269
where: short stacking energy: -94.236
Base-Backbone interact. energy: -0.840
local terms energy: -110.236598
where:
bonds (distance) C4'-P energy: -24.274
bonds (distance) P-C4' energy: -20.214
flat angles C4'-P-C4' energy: -23.372
flat angles P-C4'-P energy: -15.720
tors. eta vs tors. theta energy: -26.657
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: 1
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -260.786148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.786148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.791080 (E_RNA)
where:
Base-Base interactions energy: -157.311
where: short stacking energy: -89.444
Base-Backbone interact. energy: 0.110
local terms energy: -103.589762
where:
bonds (distance) C4'-P energy: -24.008
bonds (distance) P-C4' energy: -21.968
flat angles C4'-P-C4' energy: -22.028
flat angles P-C4'-P energy: -14.985
tors. eta vs tors. theta energy: -20.601
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: 8
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -246.804739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.804739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.319338 (E_RNA)
where:
Base-Base interactions energy: -149.800
where: short stacking energy: -81.102
Base-Backbone interact. energy: -0.157
local terms energy: -98.362014
where:
bonds (distance) C4'-P energy: -20.795
bonds (distance) P-C4' energy: -24.367
flat angles C4'-P-C4' energy: -22.057
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -21.290
Dist. restrs. and SS energy: 1.515 (S_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: 76
Temperature: 1.100000
Total energy: -235.087531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.087531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.088587 (E_RNA)
where:
Base-Base interactions energy: -150.843
where: short stacking energy: -73.321
Base-Backbone interact. energy: -0.759
local terms energy: -83.486672
where:
bonds (distance) C4'-P energy: -16.735
bonds (distance) P-C4' energy: -21.912
flat angles C4'-P-C4' energy: -19.009
flat angles P-C4'-P energy: -14.615
tors. eta vs tors. theta energy: -11.216
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: 4
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -243.788448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.788448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.788448 (E_RNA)
where:
Base-Base interactions energy: -148.695
where: short stacking energy: -76.249
Base-Backbone interact. energy: -1.129
local terms energy: -93.964722
where:
bonds (distance) C4'-P energy: -23.735
bonds (distance) P-C4' energy: -20.575
flat angles C4'-P-C4' energy: -18.725
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: -19.379
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -231.969710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.969710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.245438 (E_RNA)
where:
Base-Base interactions energy: -142.238
where: short stacking energy: -72.823
Base-Backbone interact. energy: -0.059
local terms energy: -89.948526
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -21.184
flat angles C4'-P-C4' energy: -23.178
flat angles P-C4'-P energy: -13.354
tors. eta vs tors. theta energy: -17.103
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: 8, replica: 7
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -199.189825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.189825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.658770 (E_RNA)
where:
Base-Base interactions energy: -112.104
where: short stacking energy: -52.032
Base-Backbone interact. energy: 0.094
local terms energy: -87.648561
where:
bonds (distance) C4'-P energy: -20.348
bonds (distance) P-C4' energy: -20.383
flat angles C4'-P-C4' energy: -23.425
flat angles P-C4'-P energy: -16.587
tors. eta vs tors. theta energy: -6.906
Dist. restrs. and SS energy: 0.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -201.752832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.752832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.943959 (E_RNA)
where:
Base-Base interactions energy: -125.409
where: short stacking energy: -57.749
Base-Backbone interact. energy: -0.571
local terms energy: -75.963856
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -21.740
flat angles C4'-P-C4' energy: -16.647
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -14.038
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: 10
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -227.023894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.023894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.530125 (E_RNA)
where:
Base-Base interactions energy: -147.965
where: short stacking energy: -68.699
Base-Backbone interact. energy: -0.069
local terms energy: -80.496370
where:
bonds (distance) C4'-P energy: -23.722
bonds (distance) P-C4' energy: -17.243
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -14.777
Dist. restrs. and SS energy: 1.506 (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: 2
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -314.398273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.398273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.561816 (E_RNA)
where:
Base-Base interactions energy: -191.689
where: short stacking energy: -110.253
Base-Backbone interact. energy: -0.425
local terms energy: -122.448582
where:
bonds (distance) C4'-P energy: -21.715
bonds (distance) P-C4' energy: -25.353
flat angles C4'-P-C4' energy: -25.823
flat angles P-C4'-P energy: -17.087
tors. eta vs tors. theta energy: -32.471
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: 2, replica: 9
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -286.675150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.675150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.697957 (E_RNA)
where:
Base-Base interactions energy: -173.981
where: short stacking energy: -101.016
Base-Backbone interact. energy: -0.020
local terms energy: -112.696596
where:
bonds (distance) C4'-P energy: -19.565
bonds (distance) P-C4' energy: -22.831
flat angles C4'-P-C4' energy: -24.899
flat angles P-C4'-P energy: -16.054
tors. eta vs tors. theta energy: -29.347
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: 77
Temperature: 1.000000
Total energy: -275.784071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.784071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.788047 (E_RNA)
where:
Base-Base interactions energy: -166.931
where: short stacking energy: -100.920
Base-Backbone interact. energy: -0.277
local terms energy: -108.580061
where:
bonds (distance) C4'-P energy: -18.864
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -25.551
flat angles P-C4'-P energy: -19.027
tors. eta vs tors. theta energy: -27.158
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: 6
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -250.047886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.047886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.058666 (E_RNA)
where:
Base-Base interactions energy: -148.612
where: short stacking energy: -80.176
Base-Backbone interact. energy: -0.262
local terms energy: -101.185025
where:
bonds (distance) C4'-P energy: -24.326
bonds (distance) P-C4' energy: -25.696
flat angles C4'-P-C4' energy: -17.143
flat angles P-C4'-P energy: -15.557
tors. eta vs tors. theta energy: -18.463
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: 8
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -243.491250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.491250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.579100 (E_RNA)
where:
Base-Base interactions energy: -149.038
where: short stacking energy: -75.628
Base-Backbone interact. energy: -0.652
local terms energy: -93.888761
where:
bonds (distance) C4'-P energy: -21.047
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -24.074
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -21.757
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: 3
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -233.627715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.627715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.706496 (E_RNA)
where:
Base-Base interactions energy: -140.553
where: short stacking energy: -72.853
Base-Backbone interact. energy: -0.086
local terms energy: -93.068108
where:
bonds (distance) C4'-P energy: -20.074
bonds (distance) P-C4' energy: -24.334
flat angles C4'-P-C4' energy: -19.490
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -17.340
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: 4
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -210.514548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.514548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.535378 (E_RNA)
where:
Base-Base interactions energy: -113.940
where: short stacking energy: -56.273
Base-Backbone interact. energy: -0.229
local terms energy: -96.366844
where:
bonds (distance) C4'-P energy: -21.239
bonds (distance) P-C4' energy: -23.712
flat angles C4'-P-C4' energy: -24.966
flat angles P-C4'-P energy: -15.871
tors. eta vs tors. theta energy: -10.579
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: 77
Temperature: 1.250000
Total energy: -214.761323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.761323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.850600 (E_RNA)
where:
Base-Base interactions energy: -128.380
where: short stacking energy: -61.078
Base-Backbone interact. energy: -0.172
local terms energy: -86.298447
where:
bonds (distance) C4'-P energy: -20.696
bonds (distance) P-C4' energy: -16.661
flat angles C4'-P-C4' energy: -18.430
flat angles P-C4'-P energy: -15.192
tors. eta vs tors. theta energy: -15.319
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -218.655047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.655047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.796756 (E_RNA)
where:
Base-Base interactions energy: -124.059
where: short stacking energy: -63.947
Base-Backbone interact. energy: -0.105
local terms energy: -94.632179
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -26.393
flat angles C4'-P-C4' energy: -24.539
flat angles P-C4'-P energy: -13.761
tors. eta vs tors. theta energy: -13.954
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: 10, replica: 10
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -191.008372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.008372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.275782 (E_RNA)
where:
Base-Base interactions energy: -110.997
where: short stacking energy: -53.537
Base-Backbone interact. energy: -0.141
local terms energy: -81.137395
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -23.248
flat angles C4'-P-C4' energy: -20.001
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -12.518
Dist. restrs. and SS energy: 1.267 (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: 2
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -309.520581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.520581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.588225 (E_RNA)
where:
Base-Base interactions energy: -190.696
where: short stacking energy: -116.215
Base-Backbone interact. energy: -0.077
local terms energy: -118.815720
where:
bonds (distance) C4'-P energy: -22.187
bonds (distance) P-C4' energy: -23.629
flat angles C4'-P-C4' energy: -24.979
flat angles P-C4'-P energy: -14.928
tors. eta vs tors. theta energy: -33.093
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -270.577349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.577349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.577349 (E_RNA)
where:
Base-Base interactions energy: -168.739
where: short stacking energy: -92.483
Base-Backbone interact. energy: 0.452
local terms energy: -102.290354
where:
bonds (distance) C4'-P energy: -19.813
bonds (distance) P-C4' energy: -21.999
flat angles C4'-P-C4' energy: -21.325
flat angles P-C4'-P energy: -13.241
tors. eta vs tors. theta energy: -25.911
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: 1
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -265.514789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.514789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.586248 (E_RNA)
where:
Base-Base interactions energy: -169.756
where: short stacking energy: -93.163
Base-Backbone interact. energy: -0.171
local terms energy: -95.659008
where:
bonds (distance) C4'-P energy: -17.923
bonds (distance) P-C4' energy: -18.323
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -17.680
tors. eta vs tors. theta energy: -27.718
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: 6
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -251.784989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.784989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.821062 (E_RNA)
where:
Base-Base interactions energy: -157.297
where: short stacking energy: -80.468
Base-Backbone interact. energy: -0.251
local terms energy: -94.272628
where:
bonds (distance) C4'-P energy: -18.613
bonds (distance) P-C4' energy: -24.159
flat angles C4'-P-C4' energy: -21.560
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -18.123
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -262.060126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.060126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.078470 (E_RNA)
where:
Base-Base interactions energy: -157.255
where: short stacking energy: -81.149
Base-Backbone interact. energy: -0.098
local terms energy: -105.725916
where:
bonds (distance) C4'-P energy: -18.215
bonds (distance) P-C4' energy: -20.700
flat angles C4'-P-C4' energy: -23.330
flat angles P-C4'-P energy: -17.620
tors. eta vs tors. theta energy: -25.861
Dist. restrs. and SS energy: 1.018 (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: 8
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -243.705890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.705890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.853297 (E_RNA)
where:
Base-Base interactions energy: -161.874
where: short stacking energy: -86.018
Base-Backbone interact. energy: -0.198
local terms energy: -81.781547
where:
bonds (distance) C4'-P energy: -12.317
bonds (distance) P-C4' energy: -19.395
flat angles C4'-P-C4' energy: -18.254
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -20.301
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: 5
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -226.584173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.584173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.910102 (E_RNA)
where:
Base-Base interactions energy: -142.281
where: short stacking energy: -73.300
Base-Backbone interact. energy: -0.412
local terms energy: -86.217504
where:
bonds (distance) C4'-P energy: -19.504
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -21.757
flat angles P-C4'-P energy: -14.766
tors. eta vs tors. theta energy: -10.720
Dist. restrs. and SS energy: 2.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -196.513911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.513911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.822321 (E_RNA)
where:
Base-Base interactions energy: -121.181
where: short stacking energy: -64.447
Base-Backbone interact. energy: 0.151
local terms energy: -75.791550
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -23.484
flat angles C4'-P-C4' energy: -17.783
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -12.020
Dist. restrs. and SS energy: 0.308 (S_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: 78
Temperature: 1.300000
Total energy: -219.007963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.007963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.070139 (E_RNA)
where:
Base-Base interactions energy: -134.377
where: short stacking energy: -70.704
Base-Backbone interact. energy: -0.548
local terms energy: -84.144507
where:
bonds (distance) C4'-P energy: -18.075
bonds (distance) P-C4' energy: -15.577
flat angles C4'-P-C4' energy: -21.008
flat angles P-C4'-P energy: -13.109
tors. eta vs tors. theta energy: -16.374
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: 7
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -217.044790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.044790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.144296 (E_RNA)
where:
Base-Base interactions energy: -127.934
where: short stacking energy: -58.465
Base-Backbone interact. energy: -0.207
local terms energy: -89.003380
where:
bonds (distance) C4'-P energy: -18.733
bonds (distance) P-C4' energy: -21.263
flat angles C4'-P-C4' energy: -19.216
flat angles P-C4'-P energy: -14.751
tors. eta vs tors. theta energy: -15.040
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -316.727607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.727607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.730370 (E_RNA)
where:
Base-Base interactions energy: -189.049
where: short stacking energy: -114.058
Base-Backbone interact. energy: -0.022
local terms energy: -127.660105
where:
bonds (distance) C4'-P energy: -24.526
bonds (distance) P-C4' energy: -25.107
flat angles C4'-P-C4' energy: -25.126
flat angles P-C4'-P energy: -17.780
tors. eta vs tors. theta energy: -35.122
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: 79
Temperature: 0.950000
Total energy: -289.939615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.939615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.989667 (E_RNA)
where:
Base-Base interactions energy: -176.795
where: short stacking energy: -100.128
Base-Backbone interact. energy: -0.064
local terms energy: -113.131608
where:
bonds (distance) C4'-P energy: -25.453
bonds (distance) P-C4' energy: -18.627
flat angles C4'-P-C4' energy: -26.553
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -29.037
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: 3, replica: 9
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -261.553573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.553573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.575507 (E_RNA)
where:
Base-Base interactions energy: -163.371
where: short stacking energy: -94.019
Base-Backbone interact. energy: -0.073
local terms energy: -98.130961
where:
bonds (distance) C4'-P energy: -15.227
bonds (distance) P-C4' energy: -19.348
flat angles C4'-P-C4' energy: -22.518
flat angles P-C4'-P energy: -16.159
tors. eta vs tors. theta energy: -24.879
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -251.405197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.405197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.425280 (E_RNA)
where:
Base-Base interactions energy: -151.273
where: short stacking energy: -84.766
Base-Backbone interact. energy: -0.037
local terms energy: -100.114834
where:
bonds (distance) C4'-P energy: -23.315
bonds (distance) P-C4' energy: -18.826
flat angles C4'-P-C4' energy: -23.355
flat angles P-C4'-P energy: -14.203
tors. eta vs tors. theta energy: -20.416
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: 79
Temperature: 1.100000
Total energy: -248.682818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.682818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.738017 (E_RNA)
where:
Base-Base interactions energy: -152.160
where: short stacking energy: -78.032
Base-Backbone interact. energy: -0.173
local terms energy: -96.404325
where:
bonds (distance) C4'-P energy: -21.895
bonds (distance) P-C4' energy: -20.653
flat angles C4'-P-C4' energy: -19.005
flat angles P-C4'-P energy: -13.779
tors. eta vs tors. theta energy: -21.073
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: 5
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -234.001177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.001177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.667137 (E_RNA)
where:
Base-Base interactions energy: -159.608
where: short stacking energy: -79.466
Base-Backbone interact. energy: 0.454
local terms energy: -75.512822
where:
bonds (distance) C4'-P energy: -12.151
bonds (distance) P-C4' energy: -22.250
flat angles C4'-P-C4' energy: -16.912
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: -16.015
Dist. restrs. and SS energy: 0.666 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -220.558293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.558293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.599747 (E_RNA)
where:
Base-Base interactions energy: -139.432
where: short stacking energy: -64.677
Base-Backbone interact. energy: -0.575
local terms energy: -82.592742
where:
bonds (distance) C4'-P energy: -20.187
bonds (distance) P-C4' energy: -19.347
flat angles C4'-P-C4' energy: -12.811
flat angles P-C4'-P energy: -15.292
tors. eta vs tors. theta energy: -14.955
Dist. restrs. and SS energy: 2.041 (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: 10
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -216.100447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.100447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.122365 (E_RNA)
where:
Base-Base interactions energy: -143.948
where: short stacking energy: -73.919
Base-Backbone interact. energy: 0.667
local terms energy: -72.841540
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -20.708
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: -13.267
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: 4
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -201.706810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.706810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.763347 (E_RNA)
where:
Base-Base interactions energy: -120.384
where: short stacking energy: -60.587
Base-Backbone interact. energy: -0.110
local terms energy: -81.268980
where:
bonds (distance) C4'-P energy: -21.386
bonds (distance) P-C4' energy: -22.256
flat angles C4'-P-C4' energy: -19.251
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -7.261
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: 79
Temperature: 1.350000
Total energy: -211.428306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.428306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.054822 (E_RNA)
where:
Base-Base interactions energy: -129.100
where: short stacking energy: -68.877
Base-Backbone interact. energy: -0.076
local terms energy: -82.878746
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -17.010
flat angles C4'-P-C4' energy: -21.410
flat angles P-C4'-P energy: -15.098
tors. eta vs tors. theta energy: -12.493
Dist. restrs. and SS energy: 0.627 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -298.414917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.414917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.478885 (E_RNA)
where:
Base-Base interactions energy: -183.106
where: short stacking energy: -103.830
Base-Backbone interact. energy: -0.116
local terms energy: -115.256500
where:
bonds (distance) C4'-P energy: -20.860
bonds (distance) P-C4' energy: -24.859
flat angles C4'-P-C4' energy: -25.242
flat angles P-C4'-P energy: -19.870
tors. eta vs tors. theta energy: -24.426
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: 2
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -288.859605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.859605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.996922 (E_RNA)
where:
Base-Base interactions energy: -175.369
where: short stacking energy: -96.690
Base-Backbone interact. energy: -0.220
local terms energy: -113.407892
where:
bonds (distance) C4'-P energy: -23.184
bonds (distance) P-C4' energy: -22.040
flat angles C4'-P-C4' energy: -20.433
flat angles P-C4'-P energy: -20.483
tors. eta vs tors. theta energy: -27.268
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -265.398487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.398487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.398487 (E_RNA)
where:
Base-Base interactions energy: -153.700
where: short stacking energy: -85.780
Base-Backbone interact. energy: -1.479
local terms energy: -110.218758
where:
bonds (distance) C4'-P energy: -23.792
bonds (distance) P-C4' energy: -23.944
flat angles C4'-P-C4' energy: -26.837
flat angles P-C4'-P energy: -14.481
tors. eta vs tors. theta energy: -21.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -268.512993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.512993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.586599 (E_RNA)
where:
Base-Base interactions energy: -157.810
where: short stacking energy: -88.657
Base-Backbone interact. energy: -0.136
local terms energy: -110.640583
where:
bonds (distance) C4'-P energy: -24.252
bonds (distance) P-C4' energy: -21.882
flat angles C4'-P-C4' energy: -18.974
flat angles P-C4'-P energy: -17.854
tors. eta vs tors. theta energy: -27.679
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: 5
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -235.527171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.527171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.554571 (E_RNA)
where:
Base-Base interactions energy: -140.693
where: short stacking energy: -77.220
Base-Backbone interact. energy: -0.182
local terms energy: -94.679645
where:
bonds (distance) C4'-P energy: -20.298
bonds (distance) P-C4' energy: -22.176
flat angles C4'-P-C4' energy: -21.123
flat angles P-C4'-P energy: -14.001
tors. eta vs tors. theta energy: -17.082
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -234.065595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.065595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.159501 (E_RNA)
where:
Base-Base interactions energy: -145.392
where: short stacking energy: -78.479
Base-Backbone interact. energy: -0.003
local terms energy: -88.764550
where:
bonds (distance) C4'-P energy: -17.930
bonds (distance) P-C4' energy: -23.419
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -21.907
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: 10
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -219.801913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.801913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.699018 (E_RNA)
where:
Base-Base interactions energy: -130.570
where: short stacking energy: -60.718
Base-Backbone interact. energy: -0.231
local terms energy: -89.897684
where:
bonds (distance) C4'-P energy: -23.987
bonds (distance) P-C4' energy: -11.180
flat angles C4'-P-C4' energy: -22.155
flat angles P-C4'-P energy: -20.860
tors. eta vs tors. theta energy: -11.716
Dist. restrs. and SS energy: 0.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -220.357069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.357069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.482192 (E_RNA)
where:
Base-Base interactions energy: -140.500
where: short stacking energy: -70.730
Base-Backbone interact. energy: 0.855
local terms energy: -80.836698
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -23.434
flat angles C4'-P-C4' energy: -19.411
flat angles P-C4'-P energy: -12.531
tors. eta vs tors. theta energy: -13.379
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: 7
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -207.796998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.796998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.805382 (E_RNA)
where:
Base-Base interactions energy: -116.726
where: short stacking energy: -51.928
Base-Backbone interact. energy: 5.648
local terms energy: -96.727376
where:
bonds (distance) C4'-P energy: -19.898
bonds (distance) P-C4' energy: -26.664
flat angles C4'-P-C4' energy: -19.822
flat angles P-C4'-P energy: -17.472
tors. eta vs tors. theta energy: -12.871
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: 80
Temperature: 1.350000
Total energy: -205.077459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.077459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.077459 (E_RNA)
where:
Base-Base interactions energy: -122.442
where: short stacking energy: -54.625
Base-Backbone interact. energy: -0.360
local terms energy: -82.275095
where:
bonds (distance) C4'-P energy: -20.796
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -21.635
flat angles P-C4'-P energy: -12.461
tors. eta vs tors. theta energy: -10.436
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -311.991984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.991984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.991984 (E_RNA)
where:
Base-Base interactions energy: -187.520
where: short stacking energy: -117.087
Base-Backbone interact. energy: -0.054
local terms energy: -124.417221
where:
bonds (distance) C4'-P energy: -24.268
bonds (distance) P-C4' energy: -24.898
flat angles C4'-P-C4' energy: -25.221
flat angles P-C4'-P energy: -16.074
tors. eta vs tors. theta energy: -33.957
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -266.818436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.818436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.928310 (E_RNA)
where:
Base-Base interactions energy: -159.517
where: short stacking energy: -86.155
Base-Backbone interact. energy: -0.609
local terms energy: -106.802723
where:
bonds (distance) C4'-P energy: -19.434
bonds (distance) P-C4' energy: -25.226
flat angles C4'-P-C4' energy: -22.792
flat angles P-C4'-P energy: -15.357
tors. eta vs tors. theta energy: -23.994
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: 3
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -257.991552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.991552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.991552 (E_RNA)
where:
Base-Base interactions energy: -157.256
where: short stacking energy: -86.323
Base-Backbone interact. energy: -0.502
local terms energy: -100.233553
where:
bonds (distance) C4'-P energy: -16.895
bonds (distance) P-C4' energy: -21.053
flat angles C4'-P-C4' energy: -22.845
flat angles P-C4'-P energy: -16.621
tors. eta vs tors. theta energy: -22.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -265.384149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.384149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.470997 (E_RNA)
where:
Base-Base interactions energy: -160.747
where: short stacking energy: -92.422
Base-Backbone interact. energy: -0.128
local terms energy: -104.595516
where:
bonds (distance) C4'-P energy: -20.943
bonds (distance) P-C4' energy: -19.920
flat angles C4'-P-C4' energy: -20.557
flat angles P-C4'-P energy: -16.934
tors. eta vs tors. theta energy: -26.243
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: 5
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -235.509485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.509485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.533858 (E_RNA)
where:
Base-Base interactions energy: -142.627
where: short stacking energy: -76.876
Base-Backbone interact. energy: -0.075
local terms energy: -92.831735
where:
bonds (distance) C4'-P energy: -18.484
bonds (distance) P-C4' energy: -18.708
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -15.271
tors. eta vs tors. theta energy: -23.424
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: 10
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -234.836437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.836437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.220677 (E_RNA)
where:
Base-Base interactions energy: -140.044
where: short stacking energy: -76.917
Base-Backbone interact. energy: -0.139
local terms energy: -95.037610
where:
bonds (distance) C4'-P energy: -24.338
bonds (distance) P-C4' energy: -21.097
flat angles C4'-P-C4' energy: -17.113
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: -19.063
Dist. restrs. and SS energy: 0.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -243.695758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.695758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.745710 (E_RNA)
where:
Base-Base interactions energy: -146.284
where: short stacking energy: -80.546
Base-Backbone interact. energy: -0.031
local terms energy: -97.430479
where:
bonds (distance) C4'-P energy: -20.736
bonds (distance) P-C4' energy: -19.545
flat angles C4'-P-C4' energy: -22.957
flat angles P-C4'-P energy: -14.201
tors. eta vs tors. theta energy: -19.991
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: 7
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -222.772468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.772468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.772468 (E_RNA)
where:
Base-Base interactions energy: -142.730
where: short stacking energy: -65.920
Base-Backbone interact. energy: -0.572
local terms energy: -79.470905
where:
bonds (distance) C4'-P energy: -19.024
bonds (distance) P-C4' energy: -20.552
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -12.832
tors. eta vs tors. theta energy: -13.038
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -212.820993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.820993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.025719 (E_RNA)
where:
Base-Base interactions energy: -131.016
where: short stacking energy: -67.490
Base-Backbone interact. energy: -0.321
local terms energy: -81.688687
where:
bonds (distance) C4'-P energy: -21.854
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -16.163
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: 4
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -225.941275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.941275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.068792 (E_RNA)
where:
Base-Base interactions energy: -143.536
where: short stacking energy: -79.120
Base-Backbone interact. energy: 0.049
local terms energy: -82.582179
where:
bonds (distance) C4'-P energy: -15.172
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -19.527
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: -22.800
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: 2
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -278.564667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.564667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.613316 (E_RNA)
where:
Base-Base interactions energy: -172.551
where: short stacking energy: -94.515
Base-Backbone interact. energy: 0.073
local terms energy: -106.135244
where:
bonds (distance) C4'-P energy: -21.618
bonds (distance) P-C4' energy: -21.574
flat angles C4'-P-C4' energy: -19.980
flat angles P-C4'-P energy: -14.886
tors. eta vs tors. theta energy: -28.078
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -304.716206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.716206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.716206 (E_RNA)
where:
Base-Base interactions energy: -186.425
where: short stacking energy: -114.150
Base-Backbone interact. energy: -0.593
local terms energy: -117.698195
where:
bonds (distance) C4'-P energy: -16.526
bonds (distance) P-C4' energy: -19.686
flat angles C4'-P-C4' energy: -27.183
flat angles P-C4'-P energy: -19.064
tors. eta vs tors. theta energy: -35.239
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -264.928222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.928222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.967977 (E_RNA)
where:
Base-Base interactions energy: -162.922
where: short stacking energy: -94.052
Base-Backbone interact. energy: 2.417
local terms energy: -104.463703
where:
bonds (distance) C4'-P energy: -18.973
bonds (distance) P-C4' energy: -21.927
flat angles C4'-P-C4' energy: -19.968
flat angles P-C4'-P energy: -15.321
tors. eta vs tors. theta energy: -28.275
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: 4, replica: 3
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -249.698374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.698374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.716922 (E_RNA)
where:
Base-Base interactions energy: -156.869
where: short stacking energy: -84.107
Base-Backbone interact. energy: -0.082
local terms energy: -92.766039
where:
bonds (distance) C4'-P energy: -20.142
bonds (distance) P-C4' energy: -21.111
flat angles C4'-P-C4' energy: -17.656
flat angles P-C4'-P energy: -13.221
tors. eta vs tors. theta energy: -20.636
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: 82
Temperature: 1.100000
Total energy: -245.214721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.214721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.264501 (E_RNA)
where:
Base-Base interactions energy: -146.204
where: short stacking energy: -79.184
Base-Backbone interact. energy: -0.511
local terms energy: -98.549476
where:
bonds (distance) C4'-P energy: -21.238
bonds (distance) P-C4' energy: -22.538
flat angles C4'-P-C4' energy: -19.396
flat angles P-C4'-P energy: -20.743
tors. eta vs tors. theta energy: -14.634
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -238.232146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.232146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.232146 (E_RNA)
where:
Base-Base interactions energy: -144.592
where: short stacking energy: -76.517
Base-Backbone interact. energy: -0.110
local terms energy: -93.530396
where:
bonds (distance) C4'-P energy: -21.238
bonds (distance) P-C4' energy: -20.692
flat angles C4'-P-C4' energy: -22.087
flat angles P-C4'-P energy: -14.343
tors. eta vs tors. theta energy: -15.170
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -222.456606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.456606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.485511 (E_RNA)
where:
Base-Base interactions energy: -134.208
where: short stacking energy: -57.972
Base-Backbone interact. energy: -0.974
local terms energy: -87.303027
where:
bonds (distance) C4'-P energy: -20.365
bonds (distance) P-C4' energy: -22.994
flat angles C4'-P-C4' energy: -19.476
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -11.766
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -219.871200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.871200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.952105 (E_RNA)
where:
Base-Base interactions energy: -136.242
where: short stacking energy: -71.525
Base-Backbone interact. energy: -0.701
local terms energy: -85.009584
where:
bonds (distance) C4'-P energy: -23.803
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -19.381
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -16.908
Dist. restrs. and SS energy: 2.081 (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: 82
Temperature: 1.300000
Total energy: -210.550037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.550037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.932963 (E_RNA)
where:
Base-Base interactions energy: -131.161
where: short stacking energy: -60.676
Base-Backbone interact. energy: -0.038
local terms energy: -79.734050
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -16.091
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -14.702
tors. eta vs tors. theta energy: -16.569
Dist. restrs. and SS energy: 0.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -178.358674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.358674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.558774 (E_RNA)
where:
Base-Base interactions energy: -105.436
where: short stacking energy: -51.143
Base-Backbone interact. energy: -0.078
local terms energy: -73.044736
where:
bonds (distance) C4'-P energy: -17.185
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -21.676
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -10.921
Dist. restrs. and SS energy: 0.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -295.707897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.707897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.707897 (E_RNA)
where:
Base-Base interactions energy: -181.805
where: short stacking energy: -103.056
Base-Backbone interact. energy: -0.049
local terms energy: -113.853837
where:
bonds (distance) C4'-P energy: -22.807
bonds (distance) P-C4' energy: -22.045
flat angles C4'-P-C4' energy: -21.167
flat angles P-C4'-P energy: -15.616
tors. eta vs tors. theta energy: -32.219
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: 2, replica: 1
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -316.662751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.662751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.894879 (E_RNA)
where:
Base-Base interactions energy: -191.891
where: short stacking energy: -111.727
Base-Backbone interact. energy: -0.390
local terms energy: -124.613649
where:
bonds (distance) C4'-P energy: -24.160
bonds (distance) P-C4' energy: -22.831
flat angles C4'-P-C4' energy: -24.305
flat angles P-C4'-P energy: -17.196
tors. eta vs tors. theta energy: -36.121
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: 3, replica: 9
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -267.353124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.353124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.404013 (E_RNA)
where:
Base-Base interactions energy: -158.868
where: short stacking energy: -92.318
Base-Backbone interact. energy: -0.073
local terms energy: -108.463546
where:
bonds (distance) C4'-P energy: -24.521
bonds (distance) P-C4' energy: -19.856
flat angles C4'-P-C4' energy: -25.683
flat angles P-C4'-P energy: -14.872
tors. eta vs tors. theta energy: -23.532
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: 5
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -238.122910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.122910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.161754 (E_RNA)
where:
Base-Base interactions energy: -138.133
where: short stacking energy: -74.198
Base-Backbone interact. energy: -0.387
local terms energy: -99.641332
where:
bonds (distance) C4'-P energy: -19.996
bonds (distance) P-C4' energy: -21.116
flat angles C4'-P-C4' energy: -22.043
flat angles P-C4'-P energy: -17.479
tors. eta vs tors. theta energy: -19.007
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -259.408466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.408466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.899227 (E_RNA)
where:
Base-Base interactions energy: -160.519
where: short stacking energy: -86.377
Base-Backbone interact. energy: -0.085
local terms energy: -100.295986
where:
bonds (distance) C4'-P energy: -16.714
bonds (distance) P-C4' energy: -23.935
flat angles C4'-P-C4' energy: -24.406
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: -26.377
Dist. restrs. and SS energy: 1.491 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -234.096377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.096377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.126552 (E_RNA)
where:
Base-Base interactions energy: -136.392
where: short stacking energy: -67.433
Base-Backbone interact. energy: -0.155
local terms energy: -97.579618
where:
bonds (distance) C4'-P energy: -19.720
bonds (distance) P-C4' energy: -22.990
flat angles C4'-P-C4' energy: -22.082
flat angles P-C4'-P energy: -15.281
tors. eta vs tors. theta energy: -17.506
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: 10
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -225.666661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.666661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.677143 (E_RNA)
where:
Base-Base interactions energy: -129.871
where: short stacking energy: -55.481
Base-Backbone interact. energy: -0.373
local terms energy: -95.432836
where:
bonds (distance) C4'-P energy: -20.630
bonds (distance) P-C4' energy: -24.675
flat angles C4'-P-C4' energy: -19.185
flat angles P-C4'-P energy: -15.197
tors. eta vs tors. theta energy: -15.746
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -202.083327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.083327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.150989 (E_RNA)
where:
Base-Base interactions energy: -115.413
where: short stacking energy: -57.689
Base-Backbone interact. energy: 2.007
local terms energy: -88.744089
where:
bonds (distance) C4'-P energy: -18.225
bonds (distance) P-C4' energy: -21.644
flat angles C4'-P-C4' energy: -20.759
flat angles P-C4'-P energy: -14.802
tors. eta vs tors. theta energy: -13.314
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: 7
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -196.711992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.711992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.839742 (E_RNA)
where:
Base-Base interactions energy: -118.545
where: short stacking energy: -59.271
Base-Backbone interact. energy: -0.614
local terms energy: -77.681195
where:
bonds (distance) C4'-P energy: -17.495
bonds (distance) P-C4' energy: -21.914
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -12.763
tors. eta vs tors. theta energy: -12.267
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: 8
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -197.891300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.891300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.377975 (E_RNA)
where:
Base-Base interactions energy: -112.691
where: short stacking energy: -54.914
Base-Backbone interact. energy: -0.221
local terms energy: -85.465999
where:
bonds (distance) C4'-P energy: -17.765
bonds (distance) P-C4' energy: -21.235
flat angles C4'-P-C4' energy: -19.117
flat angles P-C4'-P energy: -17.181
tors. eta vs tors. theta energy: -10.168
Dist. restrs. and SS energy: 0.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -332.221151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.221151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.171562 (E_RNA)
where:
Base-Base interactions energy: -208.865
where: short stacking energy: -116.057
Base-Backbone interact. energy: -0.098
local terms energy: -125.208572
where:
bonds (distance) C4'-P energy: -21.852
bonds (distance) P-C4' energy: -23.898
flat angles C4'-P-C4' energy: -23.692
flat angles P-C4'-P energy: -19.582
tors. eta vs tors. theta energy: -36.184
Dist. restrs. and SS energy: 1.950 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -292.084467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.084467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.178053 (E_RNA)
where:
Base-Base interactions energy: -174.383
where: short stacking energy: -97.398
Base-Backbone interact. energy: -0.081
local terms energy: -117.714315
where:
bonds (distance) C4'-P energy: -21.032
bonds (distance) P-C4' energy: -21.506
flat angles C4'-P-C4' energy: -25.612
flat angles P-C4'-P energy: -21.341
tors. eta vs tors. theta energy: -28.224
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: 84
Temperature: 1.000000
Total energy: -261.229921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.229921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.882770 (E_RNA)
where:
Base-Base interactions energy: -162.538
where: short stacking energy: -92.867
Base-Backbone interact. energy: 0.577
local terms energy: -100.921827
where:
bonds (distance) C4'-P energy: -17.475
bonds (distance) P-C4' energy: -22.817
flat angles C4'-P-C4' energy: -20.813
flat angles P-C4'-P energy: -15.456
tors. eta vs tors. theta energy: -24.361
Dist. restrs. and SS energy: 1.653 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -236.255453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.255453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.393623 (E_RNA)
where:
Base-Base interactions energy: -148.395
where: short stacking energy: -71.332
Base-Backbone interact. energy: -0.214
local terms energy: -87.784737
where:
bonds (distance) C4'-P energy: -23.747
bonds (distance) P-C4' energy: -19.537
flat angles C4'-P-C4' energy: -19.710
flat angles P-C4'-P energy: -12.511
tors. eta vs tors. theta energy: -12.279
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: 3
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -254.968015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.968015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.142591 (E_RNA)
where:
Base-Base interactions energy: -157.244
where: short stacking energy: -91.724
Base-Backbone interact. energy: -0.448
local terms energy: -97.449841
where:
bonds (distance) C4'-P energy: -22.315
bonds (distance) P-C4' energy: -19.198
flat angles C4'-P-C4' energy: -22.815
flat angles P-C4'-P energy: -12.181
tors. eta vs tors. theta energy: -20.940
Dist. restrs. and SS energy: 0.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -229.301925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.301925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.665452 (E_RNA)
where:
Base-Base interactions energy: -155.504
where: short stacking energy: -74.897
Base-Backbone interact. energy: -0.236
local terms energy: -73.925937
where:
bonds (distance) C4'-P energy: -14.208
bonds (distance) P-C4' energy: -17.707
flat angles C4'-P-C4' energy: -19.128
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -15.322
Dist. restrs. and SS energy: 0.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -243.826309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.826309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.981934 (E_RNA)
where:
Base-Base interactions energy: -145.133
where: short stacking energy: -81.255
Base-Backbone interact. energy: 2.477
local terms energy: -101.325944
where:
bonds (distance) C4'-P energy: -20.409
bonds (distance) P-C4' energy: -20.210
flat angles C4'-P-C4' energy: -21.274
flat angles P-C4'-P energy: -18.297
tors. eta vs tors. theta energy: -21.136
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: 4
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -208.092180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.092180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.224399 (E_RNA)
where:
Base-Base interactions energy: -124.493
where: short stacking energy: -61.151
Base-Backbone interact. energy: -0.871
local terms energy: -82.860900
where:
bonds (distance) C4'-P energy: -18.697
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -19.091
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -18.358
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -196.151931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.151931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.252844 (E_RNA)
where:
Base-Base interactions energy: -113.955
where: short stacking energy: -54.705
Base-Backbone interact. energy: -0.107
local terms energy: -82.190674
where:
bonds (distance) C4'-P energy: -18.823
bonds (distance) P-C4' energy: -16.711
flat angles C4'-P-C4' energy: -20.991
flat angles P-C4'-P energy: -16.224
tors. eta vs tors. theta energy: -9.441
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: 7
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -201.769952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.769952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.933108 (E_RNA)
where:
Base-Base interactions energy: -126.920
where: short stacking energy: -64.223
Base-Backbone interact. energy: -0.865
local terms energy: -74.147981
where:
bonds (distance) C4'-P energy: -16.515
bonds (distance) P-C4' energy: -22.823
flat angles C4'-P-C4' energy: -17.692
flat angles P-C4'-P energy: -6.773
tors. eta vs tors. theta energy: -10.345
Dist. restrs. and SS energy: 0.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -299.598372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.598372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.624925 (E_RNA)
where:
Base-Base interactions energy: -191.147
where: short stacking energy: -111.963
Base-Backbone interact. energy: -0.056
local terms energy: -110.421394
where:
bonds (distance) C4'-P energy: -18.179
bonds (distance) P-C4' energy: -20.513
flat angles C4'-P-C4' energy: -24.581
flat angles P-C4'-P energy: -15.011
tors. eta vs tors. theta energy: -32.137
Dist. restrs. and SS energy: 2.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -277.807519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.807519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.845505 (E_RNA)
where:
Base-Base interactions energy: -171.999
where: short stacking energy: -101.234
Base-Backbone interact. energy: -0.145
local terms energy: -105.701158
where:
bonds (distance) C4'-P energy: -18.211
bonds (distance) P-C4' energy: -24.929
flat angles C4'-P-C4' energy: -23.862
flat angles P-C4'-P energy: -12.819
tors. eta vs tors. theta energy: -25.880
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: 9
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -271.856565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.856565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.811984 (E_RNA)
where:
Base-Base interactions energy: -172.407
where: short stacking energy: -93.317
Base-Backbone interact. energy: -0.039
local terms energy: -101.365976
where:
bonds (distance) C4'-P energy: -18.853
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -21.036
flat angles P-C4'-P energy: -18.776
tors. eta vs tors. theta energy: -28.353
Dist. restrs. and SS energy: 1.955 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -259.388951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.388951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.486429 (E_RNA)
where:
Base-Base interactions energy: -156.893
where: short stacking energy: -93.619
Base-Backbone interact. energy: -0.284
local terms energy: -102.309206
where:
bonds (distance) C4'-P energy: -19.115
bonds (distance) P-C4' energy: -20.278
flat angles C4'-P-C4' energy: -26.879
flat angles P-C4'-P energy: -13.057
tors. eta vs tors. theta energy: -22.980
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: 5
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -244.905309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.905309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.967834 (E_RNA)
where:
Base-Base interactions energy: -142.000
where: short stacking energy: -70.233
Base-Backbone interact. energy: -0.199
local terms energy: -102.769541
where:
bonds (distance) C4'-P energy: -23.326
bonds (distance) P-C4' energy: -25.163
flat angles C4'-P-C4' energy: -21.452
flat angles P-C4'-P energy: -15.195
tors. eta vs tors. theta energy: -17.634
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: 85
Temperature: 1.150000
Total energy: -242.181773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.181773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.194073 (E_RNA)
where:
Base-Base interactions energy: -140.830
where: short stacking energy: -75.572
Base-Backbone interact. energy: -0.196
local terms energy: -101.167868
where:
bonds (distance) C4'-P energy: -20.369
bonds (distance) P-C4' energy: -21.331
flat angles C4'-P-C4' energy: -21.931
flat angles P-C4'-P energy: -18.249
tors. eta vs tors. theta energy: -19.288
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -226.042431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.042431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.131239 (E_RNA)
where:
Base-Base interactions energy: -138.493
where: short stacking energy: -72.289
Base-Backbone interact. energy: -0.190
local terms energy: -87.448746
where:
bonds (distance) C4'-P energy: -21.945
bonds (distance) P-C4' energy: -22.067
flat angles C4'-P-C4' energy: -22.041
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -12.406
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: 8, replica: 8
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -224.614872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.614872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.149120 (E_RNA)
where:
Base-Base interactions energy: -138.135
where: short stacking energy: -56.925
Base-Backbone interact. energy: -0.669
local terms energy: -86.344466
where:
bonds (distance) C4'-P energy: -22.443
bonds (distance) P-C4' energy: -21.767
flat angles C4'-P-C4' energy: -18.901
flat angles P-C4'-P energy: -12.514
tors. eta vs tors. theta energy: -10.720
Dist. restrs. and SS energy: 0.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -214.227215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.227215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.551004 (E_RNA)
where:
Base-Base interactions energy: -129.108
where: short stacking energy: -73.156
Base-Backbone interact. energy: -0.131
local terms energy: -85.312038
where:
bonds (distance) C4'-P energy: -17.925
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -21.076
flat angles P-C4'-P energy: -11.025
tors. eta vs tors. theta energy: -17.617
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: 10, replica: 7
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -204.061470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.061470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.075772 (E_RNA)
where:
Base-Base interactions energy: -129.820
where: short stacking energy: -56.879
Base-Backbone interact. energy: -0.630
local terms energy: -73.625728
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -17.640
flat angles C4'-P-C4' energy: -19.792
flat angles P-C4'-P energy: -12.954
tors. eta vs tors. theta energy: -9.361
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: 1
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -304.010387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.010387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.790861 (E_RNA)
where:
Base-Base interactions energy: -185.610
where: short stacking energy: -107.142
Base-Backbone interact. energy: -0.276
local terms energy: -118.904919
where:
bonds (distance) C4'-P energy: -25.829
bonds (distance) P-C4' energy: -21.967
flat angles C4'-P-C4' energy: -24.363
flat angles P-C4'-P energy: -14.439
tors. eta vs tors. theta energy: -32.307
Dist. restrs. and SS energy: 0.780 (S_DIST_RNA)
chem. 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: -271.474073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.474073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.553135 (E_RNA)
where:
Base-Base interactions energy: -161.983
where: short stacking energy: -101.792
Base-Backbone interact. energy: -0.123
local terms energy: -109.447309
where:
bonds (distance) C4'-P energy: -19.751
bonds (distance) P-C4' energy: -23.620
flat angles C4'-P-C4' energy: -22.303
flat angles P-C4'-P energy: -15.040
tors. eta vs tors. theta energy: -28.734
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: 86
Temperature: 1.000000
Total energy: -270.322884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.322884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.404111 (E_RNA)
where:
Base-Base interactions energy: -167.589
where: short stacking energy: -93.059
Base-Backbone interact. energy: -0.962
local terms energy: -101.852655
where:
bonds (distance) C4'-P energy: -22.820
bonds (distance) P-C4' energy: -22.084
flat angles C4'-P-C4' energy: -21.494
flat angles P-C4'-P energy: -14.664
tors. eta vs tors. theta energy: -20.791
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: 3
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -269.787314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.787314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.904617 (E_RNA)
where:
Base-Base interactions energy: -168.771
where: short stacking energy: -88.064
Base-Backbone interact. energy: -0.107
local terms energy: -101.026614
where:
bonds (distance) C4'-P energy: -18.187
bonds (distance) P-C4' energy: -23.212
flat angles C4'-P-C4' energy: -22.147
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -26.402
Dist. restrs. and SS energy: 0.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -251.585660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.585660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.922240 (E_RNA)
where:
Base-Base interactions energy: -149.248
where: short stacking energy: -73.650
Base-Backbone interact. energy: -0.149
local terms energy: -102.524595
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -21.087
flat angles C4'-P-C4' energy: -21.565
flat angles P-C4'-P energy: -16.285
tors. eta vs tors. theta energy: -27.035
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: 6, replica: 5
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -225.134170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.134170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.235989 (E_RNA)
where:
Base-Base interactions energy: -143.769
where: short stacking energy: -75.934
Base-Backbone interact. energy: -0.172
local terms energy: -81.294794
where:
bonds (distance) C4'-P energy: -22.997
bonds (distance) P-C4' energy: -11.770
flat angles C4'-P-C4' energy: -21.988
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -13.248
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -229.918981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.918981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.081194 (E_RNA)
where:
Base-Base interactions energy: -142.550
where: short stacking energy: -71.822
Base-Backbone interact. energy: -0.258
local terms energy: -87.273158
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -22.759
flat angles C4'-P-C4' energy: -22.221
flat angles P-C4'-P energy: -15.914
tors. eta vs tors. theta energy: -11.319
Dist. restrs. and SS energy: 0.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -216.311662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.311662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.348689 (E_RNA)
where:
Base-Base interactions energy: -132.620
where: short stacking energy: -68.749
Base-Backbone interact. energy: -0.150
local terms energy: -83.579062
where:
bonds (distance) C4'-P energy: -16.270
bonds (distance) P-C4' energy: -19.917
flat angles C4'-P-C4' energy: -19.879
flat angles P-C4'-P energy: -12.835
tors. eta vs tors. theta energy: -14.679
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: 7
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -209.473583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.473583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.781978 (E_RNA)
where:
Base-Base interactions energy: -130.479
where: short stacking energy: -63.437
Base-Backbone interact. energy: -0.083
local terms energy: -79.220182
where:
bonds (distance) C4'-P energy: -21.748
bonds (distance) P-C4' energy: -17.271
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -16.289
Dist. restrs. and SS energy: 0.308 (S_DIST_RNA)
chem. 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: -196.897883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.897883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.072583 (E_RNA)
where:
Base-Base interactions energy: -123.700
where: short stacking energy: -59.225
Base-Backbone interact. energy: 1.730
local terms energy: -75.102920
where:
bonds (distance) C4'-P energy: -23.892
bonds (distance) P-C4' energy: -14.677
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -9.319
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: 1
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -302.058407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.058407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.338273 (E_RNA)
where:
Base-Base interactions energy: -189.669
where: short stacking energy: -107.373
Base-Backbone interact. energy: -0.048
local terms energy: -112.621709
where:
bonds (distance) C4'-P energy: -20.217
bonds (distance) P-C4' energy: -20.362
flat angles C4'-P-C4' energy: -22.795
flat angles P-C4'-P energy: -18.839
tors. eta vs tors. theta energy: -30.409
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: 2, replica: 9
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -256.356170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.356170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.356170 (E_RNA)
where:
Base-Base interactions energy: -152.079
where: short stacking energy: -80.197
Base-Backbone interact. energy: -0.052
local terms energy: -104.225223
where:
bonds (distance) C4'-P energy: -20.386
bonds (distance) P-C4' energy: -26.259
flat angles C4'-P-C4' energy: -24.948
flat angles P-C4'-P energy: -13.200
tors. eta vs tors. theta energy: -19.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -291.593996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.593996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.622102 (E_RNA)
where:
Base-Base interactions energy: -174.863
where: short stacking energy: -101.281
Base-Backbone interact. energy: -0.043
local terms energy: -116.715394
where:
bonds (distance) C4'-P energy: -24.365
bonds (distance) P-C4' energy: -21.276
flat angles C4'-P-C4' energy: -25.088
flat angles P-C4'-P energy: -18.330
tors. eta vs tors. theta energy: -27.657
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: 87
Temperature: 1.050000
Total energy: -266.658397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.658397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.031757 (E_RNA)
where:
Base-Base interactions energy: -165.486
where: short stacking energy: -96.752
Base-Backbone interact. energy: -0.114
local terms energy: -103.431293
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -24.613
flat angles P-C4'-P energy: -19.237
tors. eta vs tors. theta energy: -27.930
Dist. restrs. and SS energy: 2.373 (S_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: 87
Temperature: 1.100000
Total energy: -238.098264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.098264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.444139 (E_RNA)
where:
Base-Base interactions energy: -146.024
where: short stacking energy: -82.386
Base-Backbone interact. energy: -0.358
local terms energy: -92.062093
where:
bonds (distance) C4'-P energy: -20.406
bonds (distance) P-C4' energy: -18.705
flat angles C4'-P-C4' energy: -21.538
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -21.149
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: 6, replica: 10
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -216.083510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.083510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.096848 (E_RNA)
where:
Base-Base interactions energy: -134.745
where: short stacking energy: -60.625
Base-Backbone interact. energy: -0.210
local terms energy: -81.142719
where:
bonds (distance) C4'-P energy: -16.978
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -19.974
flat angles P-C4'-P energy: -16.255
tors. eta vs tors. theta energy: -11.459
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: 5
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -228.795780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.795780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.811669 (E_RNA)
where:
Base-Base interactions energy: -130.444
where: short stacking energy: -73.359
Base-Backbone interact. energy: -0.450
local terms energy: -97.918066
where:
bonds (distance) C4'-P energy: -22.255
bonds (distance) P-C4' energy: -24.061
flat angles C4'-P-C4' energy: -22.094
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -19.002
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: 7
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -205.883795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.883795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.041188 (E_RNA)
where:
Base-Base interactions energy: -117.312
where: short stacking energy: -59.537
Base-Backbone interact. energy: -0.406
local terms energy: -88.323595
where:
bonds (distance) C4'-P energy: -21.888
bonds (distance) P-C4' energy: -23.058
flat angles C4'-P-C4' energy: -20.072
flat angles P-C4'-P energy: -17.299
tors. eta vs tors. theta energy: -6.006
Dist. restrs. and SS energy: 0.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -211.232614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.232614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.262694 (E_RNA)
where:
Base-Base interactions energy: -129.569
where: short stacking energy: -67.979
Base-Backbone interact. energy: 0.018
local terms energy: -81.711606
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -21.568
flat angles C4'-P-C4' energy: -20.925
flat angles P-C4'-P energy: -12.309
tors. eta vs tors. theta energy: -13.743
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: 4
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -198.786929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.786929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.847383 (E_RNA)
where:
Base-Base interactions energy: -125.383
where: short stacking energy: -59.077
Base-Backbone interact. energy: 0.791
local terms energy: -74.255224
where:
bonds (distance) C4'-P energy: -16.859
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -17.799
flat angles P-C4'-P energy: -14.095
tors. eta vs tors. theta energy: -9.207
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: 1
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -300.334679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.334679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.040451 (E_RNA)
where:
Base-Base interactions energy: -188.424
where: short stacking energy: -92.156
Base-Backbone interact. energy: -0.103
local terms energy: -112.513673
where:
bonds (distance) C4'-P energy: -23.868
bonds (distance) P-C4' energy: -23.328
flat angles C4'-P-C4' energy: -22.007
flat angles P-C4'-P energy: -16.843
tors. eta vs tors. theta energy: -26.468
Dist. restrs. and SS energy: 0.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -270.126958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.126958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.571464 (E_RNA)
where:
Base-Base interactions energy: -170.588
where: short stacking energy: -83.618
Base-Backbone interact. energy: -0.123
local terms energy: -99.861347
where:
bonds (distance) C4'-P energy: -22.331
bonds (distance) P-C4' energy: -24.930
flat angles C4'-P-C4' energy: -20.491
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -19.379
Dist. restrs. and SS energy: 0.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -300.121171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.121171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.194884 (E_RNA)
where:
Base-Base interactions energy: -186.656
where: short stacking energy: -108.382
Base-Backbone interact. energy: -0.192
local terms energy: -113.346993
where:
bonds (distance) C4'-P energy: -20.813
bonds (distance) P-C4' energy: -23.098
flat angles C4'-P-C4' energy: -24.025
flat angles P-C4'-P energy: -14.787
tors. eta vs tors. theta energy: -30.624
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -264.550101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.550101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.671934 (E_RNA)
where:
Base-Base interactions energy: -158.682
where: short stacking energy: -95.881
Base-Backbone interact. energy: -0.316
local terms energy: -105.673933
where:
bonds (distance) C4'-P energy: -18.348
bonds (distance) P-C4' energy: -24.364
flat angles C4'-P-C4' energy: -19.033
flat angles P-C4'-P energy: -14.737
tors. eta vs tors. theta energy: -29.191
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -240.541270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.541270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.614446 (E_RNA)
where:
Base-Base interactions energy: -152.785
where: short stacking energy: -81.173
Base-Backbone interact. energy: -0.327
local terms energy: -87.503207
where:
bonds (distance) C4'-P energy: -19.565
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -21.533
flat angles P-C4'-P energy: -13.784
tors. eta vs tors. theta energy: -16.780
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: 6
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -248.224018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.224018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.978404 (E_RNA)
where:
Base-Base interactions energy: -143.186
where: short stacking energy: -82.438
Base-Backbone interact. energy: -0.198
local terms energy: -105.594349
where:
bonds (distance) C4'-P energy: -21.876
bonds (distance) P-C4' energy: -23.035
flat angles C4'-P-C4' energy: -23.674
flat angles P-C4'-P energy: -17.132
tors. eta vs tors. theta energy: -19.877
Dist. restrs. and SS energy: 0.754 (S_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: 88
Temperature: 1.200000
Total energy: -219.093105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.093105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.309407 (E_RNA)
where:
Base-Base interactions energy: -125.450
where: short stacking energy: -61.486
Base-Backbone interact. energy: -0.110
local terms energy: -93.748962
where:
bonds (distance) C4'-P energy: -21.553
bonds (distance) P-C4' energy: -20.832
flat angles C4'-P-C4' energy: -22.336
flat angles P-C4'-P energy: -14.273
tors. eta vs tors. theta energy: -14.755
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: 5
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -224.976674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.976674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.983799 (E_RNA)
where:
Base-Base interactions energy: -135.306
where: short stacking energy: -71.660
Base-Backbone interact. energy: -0.307
local terms energy: -89.371033
where:
bonds (distance) C4'-P energy: -12.466
bonds (distance) P-C4' energy: -23.959
flat angles C4'-P-C4' energy: -20.811
flat angles P-C4'-P energy: -14.230
tors. eta vs tors. theta energy: -17.905
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: 8
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -220.393493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.393493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.455367 (E_RNA)
where:
Base-Base interactions energy: -142.511
where: short stacking energy: -66.335
Base-Backbone interact. energy: -0.064
local terms energy: -77.879827
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -17.626
flat angles C4'-P-C4' energy: -19.717
flat angles P-C4'-P energy: -14.165
tors. eta vs tors. theta energy: -12.797
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: 88
Temperature: 1.350000
Total energy: -203.192682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.192682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.533166 (E_RNA)
where:
Base-Base interactions energy: -130.071
where: short stacking energy: -63.020
Base-Backbone interact. energy: -0.055
local terms energy: -73.407061
where:
bonds (distance) C4'-P energy: -18.435
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -21.023
flat angles P-C4'-P energy: -13.445
tors. eta vs tors. theta energy: -7.869
Dist. restrs. and SS energy: 0.340 (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: 89
Temperature: 0.900000
Total energy: -292.223690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.223690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.304967 (E_RNA)
where:
Base-Base interactions energy: -176.611
where: short stacking energy: -109.050
Base-Backbone interact. energy: -0.009
local terms energy: -115.685521
where:
bonds (distance) C4'-P energy: -23.210
bonds (distance) P-C4' energy: -21.902
flat angles C4'-P-C4' energy: -23.597
flat angles P-C4'-P energy: -15.898
tors. eta vs tors. theta energy: -31.078
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: 89
Temperature: 0.950000
Total energy: -285.206452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.206452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.430042 (E_RNA)
where:
Base-Base interactions energy: -173.465
where: short stacking energy: -92.982
Base-Backbone interact. energy: -0.259
local terms energy: -111.705899
where:
bonds (distance) C4'-P energy: -19.686
bonds (distance) P-C4' energy: -24.759
flat angles C4'-P-C4' energy: -24.695
flat angles P-C4'-P energy: -13.608
tors. eta vs tors. theta energy: -28.958
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: 3, replica: 9
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -258.346272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.346272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.607393 (E_RNA)
where:
Base-Base interactions energy: -152.375
where: short stacking energy: -79.742
Base-Backbone interact. energy: 0.172
local terms energy: -106.404184
where:
bonds (distance) C4'-P energy: -24.999
bonds (distance) P-C4' energy: -23.339
flat angles C4'-P-C4' energy: -20.952
flat angles P-C4'-P energy: -14.562
tors. eta vs tors. theta energy: -22.552
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: 2
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -261.359008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.359008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.723485 (E_RNA)
where:
Base-Base interactions energy: -152.803
where: short stacking energy: -91.871
Base-Backbone interact. energy: -0.004
local terms energy: -108.916121
where:
bonds (distance) C4'-P energy: -21.177
bonds (distance) P-C4' energy: -25.962
flat angles C4'-P-C4' energy: -19.756
flat angles P-C4'-P energy: -19.471
tors. eta vs tors. theta energy: -22.550
Dist. restrs. and SS energy: 0.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -239.891974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.891974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.204403 (E_RNA)
where:
Base-Base interactions energy: -147.018
where: short stacking energy: -72.444
Base-Backbone interact. energy: 0.658
local terms energy: -94.844057
where:
bonds (distance) C4'-P energy: -18.067
bonds (distance) P-C4' energy: -22.006
flat angles C4'-P-C4' energy: -19.162
flat angles P-C4'-P energy: -17.152
tors. eta vs tors. theta energy: -18.457
Dist. restrs. and SS energy: 1.312 (S_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: 89
Temperature: 1.150000
Total energy: -219.461078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.461078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.461078 (E_RNA)
where:
Base-Base interactions energy: -124.787
where: short stacking energy: -60.797
Base-Backbone interact. energy: -0.077
local terms energy: -94.597888
where:
bonds (distance) C4'-P energy: -22.885
bonds (distance) P-C4' energy: -23.973
flat angles C4'-P-C4' energy: -24.227
flat angles P-C4'-P energy: -16.464
tors. eta vs tors. theta energy: -7.049
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -218.653366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.653366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.684061 (E_RNA)
where:
Base-Base interactions energy: -125.179
where: short stacking energy: -62.475
Base-Backbone interact. energy: 0.587
local terms energy: -94.091766
where:
bonds (distance) C4'-P energy: -21.429
bonds (distance) P-C4' energy: -21.977
flat angles C4'-P-C4' energy: -24.339
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -14.929
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: 89
Temperature: 1.250000
Total energy: -226.426141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.426141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.485552 (E_RNA)
where:
Base-Base interactions energy: -131.025
where: short stacking energy: -73.535
Base-Backbone interact. energy: 0.160
local terms energy: -95.621060
where:
bonds (distance) C4'-P energy: -18.286
bonds (distance) P-C4' energy: -24.392
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -13.827
tors. eta vs tors. theta energy: -22.403
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: 89
Temperature: 1.300000
Total energy: -203.321440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.321440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.339470 (E_RNA)
where:
Base-Base interactions energy: -124.481
where: short stacking energy: -59.044
Base-Backbone interact. energy: -0.581
local terms energy: -78.277395
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -23.707
flat angles C4'-P-C4' energy: -17.659
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -13.006
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: 89
Temperature: 1.350000
Total energy: -194.143274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.143274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.143274 (E_RNA)
where:
Base-Base interactions energy: -112.930
where: short stacking energy: -48.797
Base-Backbone interact. energy: -0.311
local terms energy: -80.902750
where:
bonds (distance) C4'-P energy: -15.268
bonds (distance) P-C4' energy: -23.644
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -14.391
tors. eta vs tors. theta energy: -11.532
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -293.072821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.072821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.075488 (E_RNA)
where:
Base-Base interactions energy: -184.147
where: short stacking energy: -101.634
Base-Backbone interact. energy: -0.185
local terms energy: -108.743441
where:
bonds (distance) C4'-P energy: -23.734
bonds (distance) P-C4' energy: -17.465
flat angles C4'-P-C4' energy: -24.174
flat angles P-C4'-P energy: -18.432
tors. eta vs tors. theta energy: -24.938
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: 90
Temperature: 0.950000
Total energy: -305.842842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.842842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.323758 (E_RNA)
where:
Base-Base interactions energy: -194.193
where: short stacking energy: -106.035
Base-Backbone interact. energy: -0.247
local terms energy: -112.883762
where:
bonds (distance) C4'-P energy: -21.100
bonds (distance) P-C4' energy: -23.636
flat angles C4'-P-C4' energy: -25.618
flat angles P-C4'-P energy: -13.054
tors. eta vs tors. theta energy: -29.476
Dist. restrs. and SS energy: 1.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -255.625650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.625650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.662445 (E_RNA)
where:
Base-Base interactions energy: -146.237
where: short stacking energy: -79.312
Base-Backbone interact. energy: -0.270
local terms energy: -109.155436
where:
bonds (distance) C4'-P energy: -25.983
bonds (distance) P-C4' energy: -23.788
flat angles C4'-P-C4' energy: -22.158
flat angles P-C4'-P energy: -18.822
tors. eta vs tors. theta energy: -18.405
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: 90
Temperature: 1.050000
Total energy: -246.876445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.876445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.906004 (E_RNA)
where:
Base-Base interactions energy: -156.513
where: short stacking energy: -76.895
Base-Backbone interact. energy: -0.528
local terms energy: -89.864646
where:
bonds (distance) C4'-P energy: -19.467
bonds (distance) P-C4' energy: -20.912
flat angles C4'-P-C4' energy: -17.406
flat angles P-C4'-P energy: -15.462
tors. eta vs tors. theta energy: -16.618
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: 10
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -242.067121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.067121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.239299 (E_RNA)
where:
Base-Base interactions energy: -142.075
where: short stacking energy: -75.140
Base-Backbone interact. energy: -0.625
local terms energy: -99.539652
where:
bonds (distance) C4'-P energy: -22.686
bonds (distance) P-C4' energy: -22.032
flat angles C4'-P-C4' energy: -22.731
flat angles P-C4'-P energy: -16.486
tors. eta vs tors. theta energy: -15.603
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: 7
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -243.181630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.181630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.271342 (E_RNA)
where:
Base-Base interactions energy: -143.914
where: short stacking energy: -84.963
Base-Backbone interact. energy: -0.022
local terms energy: -99.334863
where:
bonds (distance) C4'-P energy: -19.852
bonds (distance) P-C4' energy: -21.486
flat angles C4'-P-C4' energy: -18.244
flat angles P-C4'-P energy: -16.252
tors. eta vs tors. theta energy: -23.501
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: 90
Temperature: 1.200000
Total energy: -236.100403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.100403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.116451 (E_RNA)
where:
Base-Base interactions energy: -142.487
where: short stacking energy: -76.272
Base-Backbone interact. energy: -0.434
local terms energy: -93.194773
where:
bonds (distance) C4'-P energy: -20.025
bonds (distance) P-C4' energy: -16.686
flat angles C4'-P-C4' energy: -22.961
flat angles P-C4'-P energy: -15.704
tors. eta vs tors. theta energy: -17.818
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -219.286222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.286222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.390339 (E_RNA)
where:
Base-Base interactions energy: -136.413
where: short stacking energy: -65.942
Base-Backbone interact. energy: -0.120
local terms energy: -83.857094
where:
bonds (distance) C4'-P energy: -20.630
bonds (distance) P-C4' energy: -17.080
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -19.515
tors. eta vs tors. theta energy: -10.779
Dist. restrs. and SS energy: 1.104 (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: 4
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -215.765816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.765816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.263745 (E_RNA)
where:
Base-Base interactions energy: -136.618
where: short stacking energy: -57.184
Base-Backbone interact. energy: -0.244
local terms energy: -79.400970
where:
bonds (distance) C4'-P energy: -19.960
bonds (distance) P-C4' energy: -19.385
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -14.388
tors. eta vs tors. theta energy: -14.043
Dist. restrs. and SS energy: 0.498 (S_DIST_RNA)
chem. 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: -187.822501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.822501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.881689 (E_RNA)
where:
Base-Base interactions energy: -110.399
where: short stacking energy: -47.875
Base-Backbone interact. energy: -1.187
local terms energy: -76.296213
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -20.383
flat angles C4'-P-C4' energy: -25.121
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -3.986
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: 1
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -291.884111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.884111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.968570 (E_RNA)
where:
Base-Base interactions energy: -178.929
where: short stacking energy: -91.483
Base-Backbone interact. energy: -0.053
local terms energy: -112.986762
where:
bonds (distance) C4'-P energy: -22.730
bonds (distance) P-C4' energy: -26.368
flat angles C4'-P-C4' energy: -25.354
flat angles P-C4'-P energy: -14.701
tors. eta vs tors. theta energy: -23.834
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: 3
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -303.521486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.521486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.315395 (E_RNA)
where:
Base-Base interactions energy: -202.132
where: short stacking energy: -106.284
Base-Backbone interact. energy: 2.024
local terms energy: -105.207752
where:
bonds (distance) C4'-P energy: -18.042
bonds (distance) P-C4' energy: -20.418
flat angles C4'-P-C4' energy: -25.500
flat angles P-C4'-P energy: -12.662
tors. eta vs tors. theta energy: -28.585
Dist. restrs. and SS energy: 1.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -256.601100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.601100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.601100 (E_RNA)
where:
Base-Base interactions energy: -156.073
where: short stacking energy: -83.250
Base-Backbone interact. energy: -0.533
local terms energy: -99.994603
where:
bonds (distance) C4'-P energy: -24.520
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -23.347
flat angles P-C4'-P energy: -14.620
tors. eta vs tors. theta energy: -20.093
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: 10
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -245.585449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.585449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.643958 (E_RNA)
where:
Base-Base interactions energy: -145.807
where: short stacking energy: -72.986
Base-Backbone interact. energy: -0.106
local terms energy: -99.730696
where:
bonds (distance) C4'-P energy: -18.482
bonds (distance) P-C4' energy: -21.863
flat angles C4'-P-C4' energy: -24.923
flat angles P-C4'-P energy: -15.190
tors. eta vs tors. theta energy: -19.272
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -239.481463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.481463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.306072 (E_RNA)
where:
Base-Base interactions energy: -145.291
where: short stacking energy: -76.186
Base-Backbone interact. energy: -0.296
local terms energy: -94.718818
where:
bonds (distance) C4'-P energy: -17.687
bonds (distance) P-C4' energy: -23.570
flat angles C4'-P-C4' energy: -18.580
flat angles P-C4'-P energy: -13.739
tors. eta vs tors. theta energy: -21.143
Dist. restrs. and SS energy: 0.825 (S_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: 91
Temperature: 1.150000
Total energy: -238.760540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.760540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.768582 (E_RNA)
where:
Base-Base interactions energy: -137.019
where: short stacking energy: -68.932
Base-Backbone interact. energy: -0.192
local terms energy: -101.557271
where:
bonds (distance) C4'-P energy: -20.525
bonds (distance) P-C4' energy: -25.371
flat angles C4'-P-C4' energy: -22.293
flat angles P-C4'-P energy: -15.910
tors. eta vs tors. theta energy: -17.457
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -230.496211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.496211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.496211 (E_RNA)
where:
Base-Base interactions energy: -143.186
where: short stacking energy: -77.272
Base-Backbone interact. energy: -0.070
local terms energy: -87.239893
where:
bonds (distance) C4'-P energy: -21.648
bonds (distance) P-C4' energy: -19.885
flat angles C4'-P-C4' energy: -19.299
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -15.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -228.086502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.086502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.516269 (E_RNA)
where:
Base-Base interactions energy: -135.624
where: short stacking energy: -67.896
Base-Backbone interact. energy: -0.330
local terms energy: -92.561794
where:
bonds (distance) C4'-P energy: -21.276
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -18.358
flat angles P-C4'-P energy: -18.907
tors. eta vs tors. theta energy: -16.634
Dist. restrs. and SS energy: 0.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -190.979961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.979961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.050885 (E_RNA)
where:
Base-Base interactions energy: -123.477
where: short stacking energy: -62.874
Base-Backbone interact. energy: -0.338
local terms energy: -67.236148
where:
bonds (distance) C4'-P energy: -11.384
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -12.063
flat angles P-C4'-P energy: -18.419
tors. eta vs tors. theta energy: -9.886
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: 10, replica: 5
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -191.016088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.016088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.388095 (E_RNA)
where:
Base-Base interactions energy: -113.841
where: short stacking energy: -52.290
Base-Backbone interact. energy: 0.404
local terms energy: -77.951126
where:
bonds (distance) C4'-P energy: -20.916
bonds (distance) P-C4' energy: -24.944
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -5.628
Dist. restrs. and SS energy: 0.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -311.550511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.550511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.416536 (E_RNA)
where:
Base-Base interactions energy: -203.806
where: short stacking energy: -102.530
Base-Backbone interact. energy: -0.037
local terms energy: -108.574152
where:
bonds (distance) C4'-P energy: -22.351
bonds (distance) P-C4' energy: -25.166
flat angles C4'-P-C4' energy: -20.919
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -30.405
Dist. restrs. and SS energy: 0.866 (S_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: 92
Temperature: 0.950000
Total energy: -292.888751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.888751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.115970 (E_RNA)
where:
Base-Base interactions energy: -178.286
where: short stacking energy: -97.423
Base-Backbone interact. energy: -0.009
local terms energy: -115.820708
where:
bonds (distance) C4'-P energy: -21.541
bonds (distance) P-C4' energy: -23.656
flat angles C4'-P-C4' energy: -25.132
flat angles P-C4'-P energy: -18.422
tors. eta vs tors. theta energy: -27.070
Dist. restrs. and SS energy: 1.227 (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: 92
Temperature: 1.000000
Total energy: -254.787455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.787455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.851509 (E_RNA)
where:
Base-Base interactions energy: -155.829
where: short stacking energy: -70.549
Base-Backbone interact. energy: -0.929
local terms energy: -98.093967
where:
bonds (distance) C4'-P energy: -20.969
bonds (distance) P-C4' energy: -21.658
flat angles C4'-P-C4' energy: -22.463
flat angles P-C4'-P energy: -14.736
tors. eta vs tors. theta energy: -18.267
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -246.687428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.687428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.763242 (E_RNA)
where:
Base-Base interactions energy: -145.439
where: short stacking energy: -79.809
Base-Backbone interact. energy: -0.252
local terms energy: -101.072826
where:
bonds (distance) C4'-P energy: -18.678
bonds (distance) P-C4' energy: -22.328
flat angles C4'-P-C4' energy: -23.360
flat angles P-C4'-P energy: -12.499
tors. eta vs tors. theta energy: -24.208
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: 7
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -247.168557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.168557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.197961 (E_RNA)
where:
Base-Base interactions energy: -150.908
where: short stacking energy: -77.748
Base-Backbone interact. energy: -0.562
local terms energy: -95.727900
where:
bonds (distance) C4'-P energy: -22.874
bonds (distance) P-C4' energy: -20.701
flat angles C4'-P-C4' energy: -23.310
flat angles P-C4'-P energy: -11.845
tors. eta vs tors. theta energy: -16.997
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -239.773901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.773901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.870565 (E_RNA)
where:
Base-Base interactions energy: -149.118
where: short stacking energy: -80.085
Base-Backbone interact. energy: -0.189
local terms energy: -90.563286
where:
bonds (distance) C4'-P energy: -18.025
bonds (distance) P-C4' energy: -20.302
flat angles C4'-P-C4' energy: -24.176
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -17.682
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: 4
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -230.353580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.353580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.458665 (E_RNA)
where:
Base-Base interactions energy: -142.523
where: short stacking energy: -69.583
Base-Backbone interact. energy: -0.068
local terms energy: -88.867811
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -19.774
flat angles C4'-P-C4' energy: -20.165
flat angles P-C4'-P energy: -16.512
tors. eta vs tors. theta energy: -15.697
Dist. restrs. and SS energy: 1.105 (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: 8
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -225.112036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.112036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.144931 (E_RNA)
where:
Base-Base interactions energy: -135.273
where: short stacking energy: -68.114
Base-Backbone interact. energy: -0.355
local terms energy: -89.517123
where:
bonds (distance) C4'-P energy: -22.327
bonds (distance) P-C4' energy: -19.297
flat angles C4'-P-C4' energy: -22.254
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -14.030
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: 92
Temperature: 1.300000
Total energy: -206.858320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.858320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.460771 (E_RNA)
where:
Base-Base interactions energy: -115.555
where: short stacking energy: -53.835
Base-Backbone interact. energy: -0.106
local terms energy: -91.799351
where:
bonds (distance) C4'-P energy: -23.549
bonds (distance) P-C4' energy: -22.745
flat angles C4'-P-C4' energy: -18.940
flat angles P-C4'-P energy: -13.439
tors. eta vs tors. theta energy: -13.126
Dist. restrs. and SS energy: 0.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -201.613570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.613570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.613570 (E_RNA)
where:
Base-Base interactions energy: -126.029
where: short stacking energy: -60.741
Base-Backbone interact. energy: -0.274
local terms energy: -75.310871
where:
bonds (distance) C4'-P energy: -22.924
bonds (distance) P-C4' energy: -18.851
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -7.952
tors. eta vs tors. theta energy: -9.816
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -325.201543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.201543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.898830 (E_RNA)
where:
Base-Base interactions energy: -202.598
where: short stacking energy: -114.796
Base-Backbone interact. energy: -0.045
local terms energy: -124.256393
where:
bonds (distance) C4'-P energy: -20.040
bonds (distance) P-C4' energy: -26.200
flat angles C4'-P-C4' energy: -25.766
flat angles P-C4'-P energy: -18.112
tors. eta vs tors. theta energy: -34.138
Dist. restrs. and SS energy: 1.697 (S_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: 93
Temperature: 0.950000
Total energy: -291.289866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.289866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.802874 (E_RNA)
where:
Base-Base interactions energy: -184.439
where: short stacking energy: -94.437
Base-Backbone interact. energy: -0.062
local terms energy: -108.301505
where:
bonds (distance) C4'-P energy: -18.694
bonds (distance) P-C4' energy: -23.493
flat angles C4'-P-C4' energy: -22.919
flat angles P-C4'-P energy: -16.090
tors. eta vs tors. theta energy: -27.105
Dist. restrs. and SS energy: 1.513 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -262.841719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.841719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.775543 (E_RNA)
where:
Base-Base interactions energy: -159.089
where: short stacking energy: -92.565
Base-Backbone interact. energy: -0.247
local terms energy: -104.438922
where:
bonds (distance) C4'-P energy: -20.978
bonds (distance) P-C4' energy: -23.460
flat angles C4'-P-C4' energy: -22.285
flat angles P-C4'-P energy: -15.976
tors. eta vs tors. theta energy: -21.741
Dist. restrs. and SS energy: 0.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -257.589064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.589064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.145892 (E_RNA)
where:
Base-Base interactions energy: -152.007
where: short stacking energy: -88.504
Base-Backbone interact. energy: -0.539
local terms energy: -105.600286
where:
bonds (distance) C4'-P energy: -20.559
bonds (distance) P-C4' energy: -24.371
flat angles C4'-P-C4' energy: -24.948
flat angles P-C4'-P energy: -13.575
tors. eta vs tors. theta energy: -22.148
Dist. restrs. and SS energy: 0.557 (S_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: 93
Temperature: 1.100000
Total energy: -240.121468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.121468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.168945 (E_RNA)
where:
Base-Base interactions energy: -141.828
where: short stacking energy: -80.926
Base-Backbone interact. energy: 0.699
local terms energy: -99.040614
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -18.910
flat angles C4'-P-C4' energy: -22.720
flat angles P-C4'-P energy: -17.820
tors. eta vs tors. theta energy: -24.948
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: 6, replica: 9
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -229.357316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.357316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.634923 (E_RNA)
where:
Base-Base interactions energy: -132.702
where: short stacking energy: -70.773
Base-Backbone interact. energy: -0.224
local terms energy: -96.709134
where:
bonds (distance) C4'-P energy: -18.672
bonds (distance) P-C4' energy: -22.838
flat angles C4'-P-C4' energy: -21.731
flat angles P-C4'-P energy: -14.070
tors. eta vs tors. theta energy: -19.399
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: 7, replica: 4
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -234.942758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.942758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.957745 (E_RNA)
where:
Base-Base interactions energy: -138.005
where: short stacking energy: -69.204
Base-Backbone interact. energy: -0.263
local terms energy: -96.690150
where:
bonds (distance) C4'-P energy: -18.299
bonds (distance) P-C4' energy: -23.014
flat angles C4'-P-C4' energy: -22.191
flat angles P-C4'-P energy: -15.132
tors. eta vs tors. theta energy: -18.055
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: 93
Temperature: 1.250000
Total energy: -222.240494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.240494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.395623 (E_RNA)
where:
Base-Base interactions energy: -134.842
where: short stacking energy: -75.524
Base-Backbone interact. energy: -0.485
local terms energy: -87.068965
where:
bonds (distance) C4'-P energy: -17.685
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -17.141
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -22.381
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: 8
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -204.171693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.171693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.955750 (E_RNA)
where:
Base-Base interactions energy: -132.459
where: short stacking energy: -60.378
Base-Backbone interact. energy: -0.407
local terms energy: -72.089795
where:
bonds (distance) C4'-P energy: -7.301
bonds (distance) P-C4' energy: -23.868
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -12.481
tors. eta vs tors. theta energy: -12.925
Dist. restrs. and SS energy: 0.784 (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: 6
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -203.392865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.392865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.675761 (E_RNA)
where:
Base-Base interactions energy: -115.990
where: short stacking energy: -61.225
Base-Backbone interact. energy: -0.173
local terms energy: -87.512335
where:
bonds (distance) C4'-P energy: -18.929
bonds (distance) P-C4' energy: -24.363
flat angles C4'-P-C4' energy: -19.567
flat angles P-C4'-P energy: -14.857
tors. eta vs tors. theta energy: -9.797
Dist. restrs. and SS energy: 0.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -319.244136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.244136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.925677 (E_RNA)
where:
Base-Base interactions energy: -200.700
where: short stacking energy: -112.483
Base-Backbone interact. energy: 0.095
local terms energy: -120.320717
where:
bonds (distance) C4'-P energy: -21.388
bonds (distance) P-C4' energy: -23.546
flat angles C4'-P-C4' energy: -24.690
flat angles P-C4'-P energy: -19.641
tors. eta vs tors. theta energy: -31.056
Dist. restrs. and SS energy: 1.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -267.412008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.412008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.457343 (E_RNA)
where:
Base-Base interactions energy: -178.381
where: short stacking energy: -89.101
Base-Backbone interact. energy: -0.288
local terms energy: -88.788261
where:
bonds (distance) C4'-P energy: -17.494
bonds (distance) P-C4' energy: -20.960
flat angles C4'-P-C4' energy: -17.066
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -21.426
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -248.901062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.901062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.179273 (E_RNA)
where:
Base-Base interactions energy: -147.775
where: short stacking energy: -70.671
Base-Backbone interact. energy: 0.173
local terms energy: -101.576729
where:
bonds (distance) C4'-P energy: -21.036
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -25.006
flat angles P-C4'-P energy: -19.130
tors. eta vs tors. theta energy: -16.468
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: 10
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -255.419385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.419385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.393850 (E_RNA)
where:
Base-Base interactions energy: -155.403
where: short stacking energy: -79.608
Base-Backbone interact. energy: -0.447
local terms energy: -100.543506
where:
bonds (distance) C4'-P energy: -16.088
bonds (distance) P-C4' energy: -19.842
flat angles C4'-P-C4' energy: -24.358
flat angles P-C4'-P energy: -15.461
tors. eta vs tors. theta energy: -24.794
Dist. restrs. and SS energy: 0.974 (S_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: 94
Temperature: 1.100000
Total energy: -264.149722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.149722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.195007 (E_RNA)
where:
Base-Base interactions energy: -156.665
where: short stacking energy: -87.011
Base-Backbone interact. energy: -0.015
local terms energy: -107.514300
where:
bonds (distance) C4'-P energy: -23.726
bonds (distance) P-C4' energy: -18.192
flat angles C4'-P-C4' energy: -22.452
flat angles P-C4'-P energy: -17.514
tors. eta vs tors. theta energy: -25.630
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: 6, replica: 9
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -231.604445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.604445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.705353 (E_RNA)
where:
Base-Base interactions energy: -143.860
where: short stacking energy: -78.023
Base-Backbone interact. energy: -0.164
local terms energy: -87.681444
where:
bonds (distance) C4'-P energy: -13.008
bonds (distance) P-C4' energy: -24.570
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -15.743
tors. eta vs tors. theta energy: -17.983
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: 4
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -226.688663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.688663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.688663 (E_RNA)
where:
Base-Base interactions energy: -134.101
where: short stacking energy: -64.986
Base-Backbone interact. energy: -0.962
local terms energy: -91.625114
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -22.816
flat angles C4'-P-C4' energy: -17.508
flat angles P-C4'-P energy: -17.844
tors. eta vs tors. theta energy: -17.150
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -201.749081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.749081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.980111 (E_RNA)
where:
Base-Base interactions energy: -120.971
where: short stacking energy: -61.527
Base-Backbone interact. energy: -0.170
local terms energy: -80.839255
where:
bonds (distance) C4'-P energy: -25.093
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -18.446
flat angles P-C4'-P energy: -14.443
tors. eta vs tors. theta energy: -7.482
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: 9, replica: 8
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -207.890233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.890233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.165358 (E_RNA)
where:
Base-Base interactions energy: -120.736
where: short stacking energy: -56.105
Base-Backbone interact. energy: -0.217
local terms energy: -87.211936
where:
bonds (distance) C4'-P energy: -21.645
bonds (distance) P-C4' energy: -24.570
flat angles C4'-P-C4' energy: -19.297
flat angles P-C4'-P energy: -12.853
tors. eta vs tors. theta energy: -8.847
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: 10, replica: 6
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -204.906449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.906449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.952927 (E_RNA)
where:
Base-Base interactions energy: -121.507
where: short stacking energy: -63.783
Base-Backbone interact. energy: 0.060
local terms energy: -83.505266
where:
bonds (distance) C4'-P energy: -17.070
bonds (distance) P-C4' energy: -20.883
flat angles C4'-P-C4' energy: -25.063
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -11.067
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: 3
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -330.783017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.783017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.123250 (E_RNA)
where:
Base-Base interactions energy: -211.358
where: short stacking energy: -110.219
Base-Backbone interact. energy: -0.022
local terms energy: -120.742742
where:
bonds (distance) C4'-P energy: -22.198
bonds (distance) P-C4' energy: -25.480
flat angles C4'-P-C4' energy: -23.884
flat angles P-C4'-P energy: -17.527
tors. eta vs tors. theta energy: -31.655
Dist. restrs. and SS energy: 1.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -267.704494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.704494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.277285 (E_RNA)
where:
Base-Base interactions energy: -155.754
where: short stacking energy: -86.414
Base-Backbone interact. energy: -0.148
local terms energy: -112.376113
where:
bonds (distance) C4'-P energy: -23.246
bonds (distance) P-C4' energy: -22.252
flat angles C4'-P-C4' energy: -25.294
flat angles P-C4'-P energy: -18.320
tors. eta vs tors. theta energy: -23.265
Dist. restrs. and SS energy: 0.573 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -261.482246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.482246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.603630 (E_RNA)
where:
Base-Base interactions energy: -154.151
where: short stacking energy: -88.696
Base-Backbone interact. energy: -0.096
local terms energy: -107.356612
where:
bonds (distance) C4'-P energy: -19.877
bonds (distance) P-C4' energy: -24.036
flat angles C4'-P-C4' energy: -22.969
flat angles P-C4'-P energy: -17.557
tors. eta vs tors. theta energy: -22.917
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: 95
Temperature: 1.050000
Total energy: -245.804786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.804786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.198286 (E_RNA)
where:
Base-Base interactions energy: -147.149
where: short stacking energy: -76.925
Base-Backbone interact. energy: -0.055
local terms energy: -98.995106
where:
bonds (distance) C4'-P energy: -19.537
bonds (distance) P-C4' energy: -26.113
flat angles C4'-P-C4' energy: -20.963
flat angles P-C4'-P energy: -13.981
tors. eta vs tors. theta energy: -18.400
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: 5, replica: 7
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -248.459791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.459791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.463662 (E_RNA)
where:
Base-Base interactions energy: -151.223
where: short stacking energy: -80.738
Base-Backbone interact. energy: -0.300
local terms energy: -96.941336
where:
bonds (distance) C4'-P energy: -23.527
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -23.344
flat angles P-C4'-P energy: -16.645
tors. eta vs tors. theta energy: -17.641
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: 4
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -237.256534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.256534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.350608 (E_RNA)
where:
Base-Base interactions energy: -144.041
where: short stacking energy: -71.620
Base-Backbone interact. energy: -1.820
local terms energy: -91.489769
where:
bonds (distance) C4'-P energy: -19.370
bonds (distance) P-C4' energy: -18.951
flat angles C4'-P-C4' energy: -24.914
flat angles P-C4'-P energy: -15.403
tors. eta vs tors. theta energy: -12.852
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: 9
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -234.469586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.469586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.694400 (E_RNA)
where:
Base-Base interactions energy: -151.972
where: short stacking energy: -81.522
Base-Backbone interact. energy: -0.779
local terms energy: -81.943679
where:
bonds (distance) C4'-P energy: -19.105
bonds (distance) P-C4' energy: -17.173
flat angles C4'-P-C4' energy: -17.394
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -16.972
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: 5
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -206.527341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.527341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.541505 (E_RNA)
where:
Base-Base interactions energy: -126.361
where: short stacking energy: -62.980
Base-Backbone interact. energy: -0.018
local terms energy: -80.162769
where:
bonds (distance) C4'-P energy: -17.098
bonds (distance) P-C4' energy: -21.917
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -13.902
tors. eta vs tors. theta energy: -11.156
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: 9, replica: 8
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -201.895883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.895883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.086413 (E_RNA)
where:
Base-Base interactions energy: -126.154
where: short stacking energy: -65.848
Base-Backbone interact. energy: 0.790
local terms energy: -76.722446
where:
bonds (distance) C4'-P energy: -8.330
bonds (distance) P-C4' energy: -16.499
flat angles C4'-P-C4' energy: -20.394
flat angles P-C4'-P energy: -17.955
tors. eta vs tors. theta energy: -13.544
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: 6
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -187.517097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.517097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.877369 (E_RNA)
where:
Base-Base interactions energy: -121.903
where: short stacking energy: -55.865
Base-Backbone interact. energy: 2.769
local terms energy: -69.743327
where:
bonds (distance) C4'-P energy: -17.857
bonds (distance) P-C4' energy: -18.044
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -9.116
Dist. restrs. and SS energy: 1.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -320.536478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.536478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.824615 (E_RNA)
where:
Base-Base interactions energy: -200.996
where: short stacking energy: -108.489
Base-Backbone interact. energy: -0.951
local terms energy: -118.877949
where:
bonds (distance) C4'-P energy: -20.616
bonds (distance) P-C4' energy: -22.545
flat angles C4'-P-C4' energy: -23.624
flat angles P-C4'-P energy: -19.602
tors. eta vs tors. theta energy: -32.491
Dist. restrs. and SS energy: 0.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -267.399389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.399389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.136173 (E_RNA)
where:
Base-Base interactions energy: -164.888
where: short stacking energy: -92.298
Base-Backbone interact. energy: -0.459
local terms energy: -102.789158
where:
bonds (distance) C4'-P energy: -20.962
bonds (distance) P-C4' energy: -17.973
flat angles C4'-P-C4' energy: -25.597
flat angles P-C4'-P energy: -16.185
tors. eta vs tors. theta energy: -22.073
Dist. restrs. and SS energy: 0.737 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -258.073657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.073657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.230916 (E_RNA)
where:
Base-Base interactions energy: -154.476
where: short stacking energy: -82.860
Base-Backbone interact. energy: -0.337
local terms energy: -103.417068
where:
bonds (distance) C4'-P energy: -19.542
bonds (distance) P-C4' energy: -23.448
flat angles C4'-P-C4' energy: -24.182
flat angles P-C4'-P energy: -16.514
tors. eta vs tors. theta energy: -19.731
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: 4, replica: 1
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -269.042196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.042196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.150555 (E_RNA)
where:
Base-Base interactions energy: -162.721
where: short stacking energy: -96.866
Base-Backbone interact. energy: -0.108
local terms energy: -106.321370
where:
bonds (distance) C4'-P energy: -20.107
bonds (distance) P-C4' energy: -21.606
flat angles C4'-P-C4' energy: -21.723
flat angles P-C4'-P energy: -17.185
tors. eta vs tors. theta energy: -25.701
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: 7
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -267.806847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.806847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.817206 (E_RNA)
where:
Base-Base interactions energy: -156.265
where: short stacking energy: -89.321
Base-Backbone interact. energy: -0.062
local terms energy: -111.490281
where:
bonds (distance) C4'-P energy: -20.720
bonds (distance) P-C4' energy: -22.360
flat angles C4'-P-C4' energy: -26.720
flat angles P-C4'-P energy: -16.680
tors. eta vs tors. theta energy: -25.010
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: 96
Temperature: 1.150000
Total energy: -233.852519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.852519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.275419 (E_RNA)
where:
Base-Base interactions energy: -154.138
where: short stacking energy: -69.428
Base-Backbone interact. energy: 1.071
local terms energy: -81.208518
where:
bonds (distance) C4'-P energy: -20.244
bonds (distance) P-C4' energy: -18.686
flat angles C4'-P-C4' energy: -17.568
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -15.097
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: 7, replica: 5
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -220.427089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.427089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.553633 (E_RNA)
where:
Base-Base interactions energy: -130.360
where: short stacking energy: -62.762
Base-Backbone interact. energy: 0.366
local terms energy: -90.559516
where:
bonds (distance) C4'-P energy: -19.574
bonds (distance) P-C4' energy: -21.533
flat angles C4'-P-C4' energy: -24.598
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: -12.658
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: 9
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -203.029080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.029080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.616627 (E_RNA)
where:
Base-Base interactions energy: -121.119
where: short stacking energy: -52.610
Base-Backbone interact. energy: -0.718
local terms energy: -81.780092
where:
bonds (distance) C4'-P energy: -23.375
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -20.880
flat angles P-C4'-P energy: -13.891
tors. eta vs tors. theta energy: -8.288
Dist. restrs. and SS energy: 0.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -213.328501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.328501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.406146 (E_RNA)
where:
Base-Base interactions energy: -131.094
where: short stacking energy: -67.363
Base-Backbone interact. energy: -0.134
local terms energy: -82.177719
where:
bonds (distance) C4'-P energy: -17.660
bonds (distance) P-C4' energy: -16.817
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -16.288
tors. eta vs tors. theta energy: -13.699
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: 8
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -196.899427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.899427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.941346 (E_RNA)
where:
Base-Base interactions energy: -119.072
where: short stacking energy: -52.920
Base-Backbone interact. energy: -0.359
local terms energy: -77.510175
where:
bonds (distance) C4'-P energy: -20.293
bonds (distance) P-C4' energy: -20.059
flat angles C4'-P-C4' energy: -22.408
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: -5.023
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: 97
Temperature: 0.900000
Total energy: -318.823826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.823826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.883378 (E_RNA)
where:
Base-Base interactions energy: -211.140
where: short stacking energy: -114.253
Base-Backbone interact. energy: -0.179
local terms energy: -108.563883
where:
bonds (distance) C4'-P energy: -19.508
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -25.886
flat angles P-C4'-P energy: -14.286
tors. eta vs tors. theta energy: -31.235
Dist. restrs. and SS energy: 1.060 (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: 10
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -288.794478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.794478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.949608 (E_RNA)
where:
Base-Base interactions energy: -176.063
where: short stacking energy: -100.438
Base-Backbone interact. energy: -0.102
local terms energy: -113.784872
where:
bonds (distance) C4'-P energy: -19.296
bonds (distance) P-C4' energy: -24.666
flat angles C4'-P-C4' energy: -21.026
flat angles P-C4'-P energy: -18.090
tors. eta vs tors. theta energy: -30.706
Dist. restrs. and SS energy: 1.155 (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: 2
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -269.142581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.142581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.191287 (E_RNA)
where:
Base-Base interactions energy: -166.252
where: short stacking energy: -88.468
Base-Backbone interact. energy: -0.369
local terms energy: -102.570319
where:
bonds (distance) C4'-P energy: -23.461
bonds (distance) P-C4' energy: -21.176
flat angles C4'-P-C4' energy: -20.818
flat angles P-C4'-P energy: -12.287
tors. eta vs tors. theta energy: -24.829
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: 7
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -255.316553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.316553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.563409 (E_RNA)
where:
Base-Base interactions energy: -156.069
where: short stacking energy: -88.827
Base-Backbone interact. energy: -0.126
local terms energy: -99.368455
where:
bonds (distance) C4'-P energy: -15.288
bonds (distance) P-C4' energy: -22.728
flat angles C4'-P-C4' energy: -23.978
flat angles P-C4'-P energy: -15.790
tors. eta vs tors. theta energy: -21.584
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: 5, replica: 1
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -255.583124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.583124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.669527 (E_RNA)
where:
Base-Base interactions energy: -146.158
where: short stacking energy: -80.880
Base-Backbone interact. energy: -0.185
local terms energy: -109.326296
where:
bonds (distance) C4'-P energy: -23.953
bonds (distance) P-C4' energy: -23.563
flat angles C4'-P-C4' energy: -20.843
flat angles P-C4'-P energy: -21.083
tors. eta vs tors. theta energy: -19.885
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: 4
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -222.875338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.875338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.098464 (E_RNA)
where:
Base-Base interactions energy: -143.046
where: short stacking energy: -67.760
Base-Backbone interact. energy: -0.293
local terms energy: -79.759007
where:
bonds (distance) C4'-P energy: -20.867
bonds (distance) P-C4' energy: -14.101
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -15.020
tors. eta vs tors. theta energy: -12.561
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: 5
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -209.105389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.105389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.383243 (E_RNA)
where:
Base-Base interactions energy: -121.405
where: short stacking energy: -60.523
Base-Backbone interact. energy: 1.079
local terms energy: -89.057698
where:
bonds (distance) C4'-P energy: -19.292
bonds (distance) P-C4' energy: -25.217
flat angles C4'-P-C4' energy: -16.180
flat angles P-C4'-P energy: -15.922
tors. eta vs tors. theta energy: -12.447
Dist. restrs. and SS energy: 0.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -209.474111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.474111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.536867 (E_RNA)
where:
Base-Base interactions energy: -121.809
where: short stacking energy: -57.609
Base-Backbone interact. energy: -0.495
local terms energy: -87.232939
where:
bonds (distance) C4'-P energy: -21.980
bonds (distance) P-C4' energy: -22.520
flat angles C4'-P-C4' energy: -17.354
flat angles P-C4'-P energy: -14.383
tors. eta vs tors. theta energy: -10.994
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: 9
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -202.992071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.992071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.086002 (E_RNA)
where:
Base-Base interactions energy: -119.371
where: short stacking energy: -54.905
Base-Backbone interact. energy: -0.338
local terms energy: -83.377374
where:
bonds (distance) C4'-P energy: -19.089
bonds (distance) P-C4' energy: -21.384
flat angles C4'-P-C4' energy: -18.625
flat angles P-C4'-P energy: -14.230
tors. eta vs tors. theta energy: -10.050
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -194.726509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.726509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.088308 (E_RNA)
where:
Base-Base interactions energy: -120.193
where: short stacking energy: -57.275
Base-Backbone interact. energy: -0.350
local terms energy: -74.544588
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -21.443
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -10.311
Dist. restrs. and SS energy: 0.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -325.130755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.130755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.331145 (E_RNA)
where:
Base-Base interactions energy: -209.723
where: short stacking energy: -106.173
Base-Backbone interact. energy: 0.787
local terms energy: -116.395250
where:
bonds (distance) C4'-P energy: -23.900
bonds (distance) P-C4' energy: -22.271
flat angles C4'-P-C4' energy: -23.397
flat angles P-C4'-P energy: -13.329
tors. eta vs tors. theta energy: -33.498
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: 2, replica: 10
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -292.031272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.031272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.847164 (E_RNA)
where:
Base-Base interactions energy: -176.294
where: short stacking energy: -94.701
Base-Backbone interact. energy: -0.014
local terms energy: -116.538691
where:
bonds (distance) C4'-P energy: -20.833
bonds (distance) P-C4' energy: -24.116
flat angles C4'-P-C4' energy: -24.793
flat angles P-C4'-P energy: -16.744
tors. eta vs tors. theta energy: -30.053
Dist. restrs. and SS energy: 0.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -269.417321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.417321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.526120 (E_RNA)
where:
Base-Base interactions energy: -164.994
where: short stacking energy: -80.356
Base-Backbone interact. energy: -0.144
local terms energy: -104.387600
where:
bonds (distance) C4'-P energy: -24.289
bonds (distance) P-C4' energy: -25.980
flat angles C4'-P-C4' energy: -20.188
flat angles P-C4'-P energy: -14.505
tors. eta vs tors. theta energy: -19.426
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: 7
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -274.637287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.637287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.686396 (E_RNA)
where:
Base-Base interactions energy: -169.051
where: short stacking energy: -93.409
Base-Backbone interact. energy: -0.155
local terms energy: -105.479656
where:
bonds (distance) C4'-P energy: -19.007
bonds (distance) P-C4' energy: -21.969
flat angles C4'-P-C4' energy: -19.315
flat angles P-C4'-P energy: -18.050
tors. eta vs tors. theta energy: -27.139
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: 1
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -240.227613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.227613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.231942 (E_RNA)
where:
Base-Base interactions energy: -144.067
where: short stacking energy: -81.702
Base-Backbone interact. energy: -0.012
local terms energy: -96.152956
where:
bonds (distance) C4'-P energy: -23.950
bonds (distance) P-C4' energy: -22.022
flat angles C4'-P-C4' energy: -19.324
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -17.365
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: 4
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -233.371275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.371275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.371275 (E_RNA)
where:
Base-Base interactions energy: -143.363
where: short stacking energy: -75.188
Base-Backbone interact. energy: -0.917
local terms energy: -89.091158
where:
bonds (distance) C4'-P energy: -18.983
bonds (distance) P-C4' energy: -19.784
flat angles C4'-P-C4' energy: -22.334
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -15.549
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -218.559335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.559335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.586269 (E_RNA)
where:
Base-Base interactions energy: -129.566
where: short stacking energy: -70.595
Base-Backbone interact. energy: -0.587
local terms energy: -88.433037
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -17.933
flat angles C4'-P-C4' energy: -22.697
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -21.370
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: 6
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -226.280772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.280772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.310948 (E_RNA)
where:
Base-Base interactions energy: -133.906
where: short stacking energy: -66.701
Base-Backbone interact. energy: 1.019
local terms energy: -93.423430
where:
bonds (distance) C4'-P energy: -22.265
bonds (distance) P-C4' energy: -21.800
flat angles C4'-P-C4' energy: -17.937
flat angles P-C4'-P energy: -14.264
tors. eta vs tors. theta energy: -17.158
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: 9
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -210.394626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.394626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.400981 (E_RNA)
where:
Base-Base interactions energy: -129.423
where: short stacking energy: -65.931
Base-Backbone interact. energy: -0.105
local terms energy: -80.872451
where:
bonds (distance) C4'-P energy: -16.623
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -17.486
flat angles P-C4'-P energy: -14.641
tors. eta vs tors. theta energy: -13.925
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: 8
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -194.281795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.281795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.423144 (E_RNA)
where:
Base-Base interactions energy: -119.341
where: short stacking energy: -63.450
Base-Backbone interact. energy: -1.005
local terms energy: -74.077500
where:
bonds (distance) C4'-P energy: -19.041
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -12.172
tors. eta vs tors. theta energy: -11.885
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: 1, replica: 3
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -327.039453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.039453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.841547 (E_RNA)
where:
Base-Base interactions energy: -213.896
where: short stacking energy: -111.845
Base-Backbone interact. energy: -0.086
local terms energy: -114.859729
where:
bonds (distance) C4'-P energy: -23.039
bonds (distance) P-C4' energy: -17.285
flat angles C4'-P-C4' energy: -23.794
flat angles P-C4'-P energy: -17.010
tors. eta vs tors. theta energy: -33.732
Dist. restrs. and SS energy: 1.802 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -291.082952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.082952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.855520 (E_RNA)
where:
Base-Base interactions energy: -187.369
where: short stacking energy: -92.525
Base-Backbone interact. energy: -0.204
local terms energy: -105.282911
where:
bonds (distance) C4'-P energy: -17.271
bonds (distance) P-C4' energy: -24.406
flat angles C4'-P-C4' energy: -22.495
flat angles P-C4'-P energy: -18.287
tors. eta vs tors. theta energy: -22.824
Dist. restrs. and SS energy: 1.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -269.360227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.360227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.301690 (E_RNA)
where:
Base-Base interactions energy: -168.407
where: short stacking energy: -100.475
Base-Backbone interact. energy: -0.104
local terms energy: -101.790709
where:
bonds (distance) C4'-P energy: -11.799
bonds (distance) P-C4' energy: -25.592
flat angles C4'-P-C4' energy: -25.632
flat angles P-C4'-P energy: -14.273
tors. eta vs tors. theta energy: -24.495
Dist. restrs. and SS energy: 0.941 (S_DIST_RNA)
chem. 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: -258.979874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.979874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.005897 (E_RNA)
where:
Base-Base interactions energy: -155.588
where: short stacking energy: -88.624
Base-Backbone interact. energy: -0.884
local terms energy: -102.533619
where:
bonds (distance) C4'-P energy: -20.663
bonds (distance) P-C4' energy: -20.988
flat angles C4'-P-C4' energy: -23.166
flat angles P-C4'-P energy: -15.255
tors. eta vs tors. theta energy: -22.461
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -254.602314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.602314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.691405 (E_RNA)
where:
Base-Base interactions energy: -157.771
where: short stacking energy: -81.179
Base-Backbone interact. energy: -0.322
local terms energy: -96.597689
where:
bonds (distance) C4'-P energy: -17.885
bonds (distance) P-C4' energy: -19.499
flat angles C4'-P-C4' energy: -24.507
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -23.122
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: 99
Temperature: 1.150000
Total energy: -235.356648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.356648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.479917 (E_RNA)
where:
Base-Base interactions energy: -137.001
where: short stacking energy: -77.966
Base-Backbone interact. energy: -0.992
local terms energy: -97.486994
where:
bonds (distance) C4'-P energy: -17.315
bonds (distance) P-C4' energy: -20.263
flat angles C4'-P-C4' energy: -23.889
flat angles P-C4'-P energy: -18.246
tors. eta vs tors. theta energy: -17.773
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: 4
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -210.136120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.136120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.406529 (E_RNA)
where:
Base-Base interactions energy: -116.832
where: short stacking energy: -61.088
Base-Backbone interact. energy: 2.753
local terms energy: -96.328023
where:
bonds (distance) C4'-P energy: -18.674
bonds (distance) P-C4' energy: -22.468
flat angles C4'-P-C4' energy: -22.484
flat angles P-C4'-P energy: -15.986
tors. eta vs tors. theta energy: -16.716
Dist. restrs. and SS energy: 0.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -235.668987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.668987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.743616 (E_RNA)
where:
Base-Base interactions energy: -137.362
where: short stacking energy: -74.492
Base-Backbone interact. energy: -0.046
local terms energy: -98.335581
where:
bonds (distance) C4'-P energy: -19.827
bonds (distance) P-C4' energy: -23.901
flat angles C4'-P-C4' energy: -23.547
flat angles P-C4'-P energy: -9.878
tors. eta vs tors. theta energy: -21.182
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: 6
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -202.159788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.159788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.497589 (E_RNA)
where:
Base-Base interactions energy: -131.973
where: short stacking energy: -66.518
Base-Backbone interact. energy: -0.783
local terms energy: -69.742141
where:
bonds (distance) C4'-P energy: -17.627
bonds (distance) P-C4' energy: -18.478
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -9.562
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: 10, replica: 8
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -193.475507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.475507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.545345 (E_RNA)
where:
Base-Base interactions energy: -122.856
where: short stacking energy: -55.759
Base-Backbone interact. energy: 0.313
local terms energy: -71.002303
where:
bonds (distance) C4'-P energy: -19.510
bonds (distance) P-C4' energy: -20.187
flat angles C4'-P-C4' energy: -21.467
flat angles P-C4'-P energy: -5.272
tors. eta vs tors. theta energy: -4.566
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: 10
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -294.132314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.132314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.146744 (E_RNA)
where:
Base-Base interactions energy: -187.045
where: short stacking energy: -98.612
Base-Backbone interact. energy: -0.001
local terms energy: -107.100661
where:
bonds (distance) C4'-P energy: -20.869
bonds (distance) P-C4' energy: -22.853
flat angles C4'-P-C4' energy: -24.311
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -28.704
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: 3
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -328.432596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.432596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.405348 (E_RNA)
where:
Base-Base interactions energy: -210.004
where: short stacking energy: -102.713
Base-Backbone interact. energy: -0.026
local terms energy: -119.376051
where:
bonds (distance) C4'-P energy: -21.574
bonds (distance) P-C4' energy: -22.749
flat angles C4'-P-C4' energy: -24.196
flat angles P-C4'-P energy: -17.684
tors. eta vs tors. theta energy: -33.174
Dist. restrs. and SS energy: 0.973 (S_DIST_RNA)
chem. 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: -290.748307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.748307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.784962 (E_RNA)
where:
Base-Base interactions energy: -182.674
where: short stacking energy: -113.839
Base-Backbone interact. energy: -0.007
local terms energy: -108.103229
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -22.281
flat angles C4'-P-C4' energy: -23.454
flat angles P-C4'-P energy: -14.617
tors. eta vs tors. theta energy: -29.889
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: 2
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -254.304081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.304081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.317610 (E_RNA)
where:
Base-Base interactions energy: -144.861
where: short stacking energy: -85.747
Base-Backbone interact. energy: -0.265
local terms energy: -109.190930
where:
bonds (distance) C4'-P energy: -24.013
bonds (distance) P-C4' energy: -25.368
flat angles C4'-P-C4' energy: -21.711
flat angles P-C4'-P energy: -15.481
tors. eta vs tors. theta energy: -22.619
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: 100
Temperature: 1.100000
Total energy: -244.228935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.228935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.001700 (E_RNA)
where:
Base-Base interactions energy: -145.403
where: short stacking energy: -69.696
Base-Backbone interact. energy: -0.095
local terms energy: -99.504334
where:
bonds (distance) C4'-P energy: -26.338
bonds (distance) P-C4' energy: -21.149
flat angles C4'-P-C4' energy: -20.050
flat angles P-C4'-P energy: -14.685
tors. eta vs tors. theta energy: -17.281
Dist. restrs. and SS energy: 0.773 (S_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: 100
Temperature: 1.150000
Total energy: -237.608566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.608566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.676093 (E_RNA)
where:
Base-Base interactions energy: -144.100
where: short stacking energy: -80.695
Base-Backbone interact. energy: -0.039
local terms energy: -93.537660
where:
bonds (distance) C4'-P energy: -20.514
bonds (distance) P-C4' energy: -18.247
flat angles C4'-P-C4' energy: -18.822
flat angles P-C4'-P energy: -15.831
tors. eta vs tors. theta energy: -20.125
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: 100
Temperature: 1.200000
Total energy: -216.243070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.243070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.563222 (E_RNA)
where:
Base-Base interactions energy: -126.409
where: short stacking energy: -64.451
Base-Backbone interact. energy: -0.785
local terms energy: -89.369313
where:
bonds (distance) C4'-P energy: -23.784
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -20.847
flat angles P-C4'-P energy: -12.995
tors. eta vs tors. theta energy: -15.514
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: 8, replica: 4
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -209.643472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.643472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.647813 (E_RNA)
where:
Base-Base interactions energy: -131.281
where: short stacking energy: -64.913
Base-Backbone interact. energy: -0.109
local terms energy: -78.257745
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -19.211
flat angles P-C4'-P energy: -13.455
tors. eta vs tors. theta energy: -16.492
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -205.833836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.833836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.870225 (E_RNA)
where:
Base-Base interactions energy: -128.124
where: short stacking energy: -64.444
Base-Backbone interact. energy: 0.325
local terms energy: -78.071067
where:
bonds (distance) C4'-P energy: -17.068
bonds (distance) P-C4' energy: -17.976
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -13.677
tors. eta vs tors. theta energy: -13.146
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: 6
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -194.402990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.402990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.253516 (E_RNA)
where:
Base-Base interactions energy: -120.969
where: short stacking energy: -45.828
Base-Backbone interact. energy: -0.389
local terms energy: -74.895889
where:
bonds (distance) C4'-P energy: -18.654
bonds (distance) P-C4' energy: -17.928
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -8.773
Dist. restrs. and SS energy: 1.851 (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: 10
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -296.892227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.892227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.946779 (E_RNA)
where:
Base-Base interactions energy: -181.355
where: short stacking energy: -104.614
Base-Backbone interact. energy: -0.014
local terms energy: -115.577557
where:
bonds (distance) C4'-P energy: -22.345
bonds (distance) P-C4' energy: -23.045
flat angles C4'-P-C4' energy: -22.915
flat angles P-C4'-P energy: -13.561
tors. eta vs tors. theta energy: -33.711
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: 1
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -300.538743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.538743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.371126 (E_RNA)
where:
Base-Base interactions energy: -188.120
where: short stacking energy: -108.800
Base-Backbone interact. energy: -0.068
local terms energy: -113.183242
where:
bonds (distance) C4'-P energy: -16.428
bonds (distance) P-C4' energy: -26.393
flat angles C4'-P-C4' energy: -21.271
flat angles P-C4'-P energy: -18.929
tors. eta vs tors. theta energy: -30.163
Dist. restrs. and SS energy: 0.832 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -285.059924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.059924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.163584 (E_RNA)
where:
Base-Base interactions energy: -174.428
where: short stacking energy: -105.521
Base-Backbone interact. energy: -0.007
local terms energy: -110.728845
where:
bonds (distance) C4'-P energy: -18.223
bonds (distance) P-C4' energy: -24.191
flat angles C4'-P-C4' energy: -25.215
flat angles P-C4'-P energy: -14.301
tors. eta vs tors. theta energy: -28.800
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: 101
Temperature: 1.050000
Total energy: -252.213847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.213847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.303005 (E_RNA)
where:
Base-Base interactions energy: -164.312
where: short stacking energy: -82.890
Base-Backbone interact. energy: -0.009
local terms energy: -87.981483
where:
bonds (distance) C4'-P energy: -19.235
bonds (distance) P-C4' energy: -23.602
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -13.787
tors. eta vs tors. theta energy: -17.726
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: 5
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -240.223777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.223777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.693281 (E_RNA)
where:
Base-Base interactions energy: -146.066
where: short stacking energy: -87.146
Base-Backbone interact. energy: -0.676
local terms energy: -93.951189
where:
bonds (distance) C4'-P energy: -19.924
bonds (distance) P-C4' energy: -12.542
flat angles C4'-P-C4' energy: -19.430
flat angles P-C4'-P energy: -17.471
tors. eta vs tors. theta energy: -24.584
Dist. restrs. and SS energy: 0.470 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -237.962503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.962503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.559878 (E_RNA)
where:
Base-Base interactions energy: -142.371
where: short stacking energy: -65.827
Base-Backbone interact. energy: -0.180
local terms energy: -96.008465
where:
bonds (distance) C4'-P energy: -22.931
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -21.664
flat angles P-C4'-P energy: -14.779
tors. eta vs tors. theta energy: -18.038
Dist. restrs. and SS energy: 0.597 (S_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: 101
Temperature: 1.200000
Total energy: -247.830756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.830756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.940056 (E_RNA)
where:
Base-Base interactions energy: -144.903
where: short stacking energy: -82.456
Base-Backbone interact. energy: -0.779
local terms energy: -102.258531
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -25.835
flat angles C4'-P-C4' energy: -19.456
flat angles P-C4'-P energy: -15.872
tors. eta vs tors. theta energy: -25.438
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: 101
Temperature: 1.250000
Total energy: -219.911624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.911624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.049155 (E_RNA)
where:
Base-Base interactions energy: -127.680
where: short stacking energy: -63.232
Base-Backbone interact. energy: -0.331
local terms energy: -92.038271
where:
bonds (distance) C4'-P energy: -20.450
bonds (distance) P-C4' energy: -21.782
flat angles C4'-P-C4' energy: -20.832
flat angles P-C4'-P energy: -14.453
tors. eta vs tors. theta energy: -14.521
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: 8
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -201.053937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.053937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.310817 (E_RNA)
where:
Base-Base interactions energy: -123.439
where: short stacking energy: -60.175
Base-Backbone interact. energy: 1.726
local terms energy: -79.597496
where:
bonds (distance) C4'-P energy: -23.648
bonds (distance) P-C4' energy: -24.350
flat angles C4'-P-C4' energy: -12.618
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -8.401
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: 10, replica: 6
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -209.927402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.927402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.966242 (E_RNA)
where:
Base-Base interactions energy: -121.121
where: short stacking energy: -60.237
Base-Backbone interact. energy: -0.020
local terms energy: -88.825631
where:
bonds (distance) C4'-P energy: -16.789
bonds (distance) P-C4' energy: -25.258
flat angles C4'-P-C4' energy: -17.344
flat angles P-C4'-P energy: -15.987
tors. eta vs tors. theta energy: -13.448
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: 102
Temperature: 0.900000
Total energy: -294.408855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.408855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.330375 (E_RNA)
where:
Base-Base interactions energy: -181.941
where: short stacking energy: -95.583
Base-Backbone interact. energy: -0.028
local terms energy: -113.361396
where:
bonds (distance) C4'-P energy: -25.659
bonds (distance) P-C4' energy: -22.868
flat angles C4'-P-C4' energy: -25.675
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -26.909
Dist. restrs. and SS energy: 0.922 (S_DIST_RNA)
chem. 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: -300.676943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.676943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.919150 (E_RNA)
where:
Base-Base interactions energy: -187.482
where: short stacking energy: -108.298
Base-Backbone interact. energy: -0.002
local terms energy: -114.435447
where:
bonds (distance) C4'-P energy: -21.957
bonds (distance) P-C4' energy: -21.390
flat angles C4'-P-C4' energy: -22.748
flat angles P-C4'-P energy: -19.553
tors. eta vs tors. theta energy: -28.786
Dist. restrs. and SS energy: 1.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -276.201307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.201307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.211792 (E_RNA)
where:
Base-Base interactions energy: -160.281
where: short stacking energy: -94.467
Base-Backbone interact. energy: 0.358
local terms energy: -116.288616
where:
bonds (distance) C4'-P energy: -23.771
bonds (distance) P-C4' energy: -18.864
flat angles C4'-P-C4' energy: -24.139
flat angles P-C4'-P energy: -20.393
tors. eta vs tors. theta energy: -29.121
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: 102
Temperature: 1.050000
Total energy: -266.250080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.250080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.250080 (E_RNA)
where:
Base-Base interactions energy: -165.954
where: short stacking energy: -88.883
Base-Backbone interact. energy: -0.437
local terms energy: -99.859427
where:
bonds (distance) C4'-P energy: -16.084
bonds (distance) P-C4' energy: -25.272
flat angles C4'-P-C4' energy: -19.787
flat angles P-C4'-P energy: -14.929
tors. eta vs tors. theta energy: -23.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -245.910849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.910849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.980775 (E_RNA)
where:
Base-Base interactions energy: -155.432
where: short stacking energy: -83.610
Base-Backbone interact. energy: -0.132
local terms energy: -90.416830
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -20.827
flat angles C4'-P-C4' energy: -23.326
flat angles P-C4'-P energy: -17.529
tors. eta vs tors. theta energy: -15.254
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: 102
Temperature: 1.150000
Total energy: -238.182763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.182763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.532351 (E_RNA)
where:
Base-Base interactions energy: -153.396
where: short stacking energy: -74.614
Base-Backbone interact. energy: 0.493
local terms energy: -85.629187
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -22.129
flat angles C4'-P-C4' energy: -18.818
flat angles P-C4'-P energy: -14.605
tors. eta vs tors. theta energy: -15.795
Dist. restrs. and SS energy: 0.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -223.788570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.788570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.971808 (E_RNA)
where:
Base-Base interactions energy: -128.995
where: short stacking energy: -69.776
Base-Backbone interact. energy: 0.193
local terms energy: -95.169784
where:
bonds (distance) C4'-P energy: -19.181
bonds (distance) P-C4' energy: -20.155
flat angles C4'-P-C4' energy: -23.493
flat angles P-C4'-P energy: -16.273
tors. eta vs tors. theta energy: -16.068
Dist. restrs. and SS energy: 0.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -218.471938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.471938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.588283 (E_RNA)
where:
Base-Base interactions energy: -123.598
where: short stacking energy: -68.329
Base-Backbone interact. energy: -0.118
local terms energy: -94.872269
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -20.107
flat angles C4'-P-C4' energy: -21.249
flat angles P-C4'-P energy: -18.844
tors. eta vs tors. theta energy: -17.070
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: 6
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -222.767903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.767903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.800734 (E_RNA)
where:
Base-Base interactions energy: -137.657
where: short stacking energy: -68.297
Base-Backbone interact. energy: -1.102
local terms energy: -84.041872
where:
bonds (distance) C4'-P energy: -18.326
bonds (distance) P-C4' energy: -12.812
flat angles C4'-P-C4' energy: -22.280
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -17.610
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: 8
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -193.767558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.767558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.837374 (E_RNA)
where:
Base-Base interactions energy: -122.044
where: short stacking energy: -61.671
Base-Backbone interact. energy: -0.409
local terms energy: -71.384783
where:
bonds (distance) C4'-P energy: -18.193
bonds (distance) P-C4' energy: -20.549
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -9.977
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: 1
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -303.859495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.859495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.000578 (E_RNA)
where:
Base-Base interactions energy: -188.043
where: short stacking energy: -109.563
Base-Backbone interact. energy: -0.058
local terms energy: -115.899833
where:
bonds (distance) C4'-P energy: -23.003
bonds (distance) P-C4' energy: -23.336
flat angles C4'-P-C4' energy: -22.535
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -34.799
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: 103
Temperature: 0.950000
Total energy: -284.806857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.806857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.842942 (E_RNA)
where:
Base-Base interactions energy: -177.584
where: short stacking energy: -97.228
Base-Backbone interact. energy: -0.627
local terms energy: -106.631758
where:
bonds (distance) C4'-P energy: -22.985
bonds (distance) P-C4' energy: -17.926
flat angles C4'-P-C4' energy: -21.450
flat angles P-C4'-P energy: -14.234
tors. eta vs tors. theta energy: -30.036
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: 10
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -266.767288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.767288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.061895 (E_RNA)
where:
Base-Base interactions energy: -168.527
where: short stacking energy: -92.252
Base-Backbone interact. energy: -0.002
local terms energy: -99.532971
where:
bonds (distance) C4'-P energy: -18.378
bonds (distance) P-C4' energy: -21.028
flat angles C4'-P-C4' energy: -24.220
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -25.325
Dist. restrs. and SS energy: 1.295 (S_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: 103
Temperature: 1.050000
Total energy: -246.165425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.165425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.186112 (E_RNA)
where:
Base-Base interactions energy: -152.606
where: short stacking energy: -82.873
Base-Backbone interact. energy: -0.031
local terms energy: -93.549057
where:
bonds (distance) C4'-P energy: -24.178
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -20.089
flat angles P-C4'-P energy: -15.131
tors. eta vs tors. theta energy: -18.890
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: 103
Temperature: 1.100000
Total energy: -256.712988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.712988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.815120 (E_RNA)
where:
Base-Base interactions energy: -161.188
where: short stacking energy: -87.273
Base-Backbone interact. energy: -0.049
local terms energy: -95.578720
where:
bonds (distance) C4'-P energy: -20.853
bonds (distance) P-C4' energy: -17.487
flat angles C4'-P-C4' energy: -22.451
flat angles P-C4'-P energy: -14.229
tors. eta vs tors. theta energy: -20.559
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: 6, replica: 7
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -231.089190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.089190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.109984 (E_RNA)
where:
Base-Base interactions energy: -139.084
where: short stacking energy: -72.984
Base-Backbone interact. energy: 0.008
local terms energy: -92.034241
where:
bonds (distance) C4'-P energy: -20.995
bonds (distance) P-C4' energy: -22.877
flat angles C4'-P-C4' energy: -16.794
flat angles P-C4'-P energy: -18.727
tors. eta vs tors. theta energy: -12.641
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -233.317886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.317886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.062467 (E_RNA)
where:
Base-Base interactions energy: -141.252
where: short stacking energy: -72.825
Base-Backbone interact. energy: -0.016
local terms energy: -92.794536
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -24.143
flat angles P-C4'-P energy: -14.050
tors. eta vs tors. theta energy: -22.486
Dist. restrs. and SS energy: 0.745 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -206.365746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.365746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.365746 (E_RNA)
where:
Base-Base interactions energy: -119.149
where: short stacking energy: -63.370
Base-Backbone interact. energy: 0.099
local terms energy: -87.315711
where:
bonds (distance) C4'-P energy: -12.966
bonds (distance) P-C4' energy: -23.630
flat angles C4'-P-C4' energy: -23.206
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -16.419
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: 9, replica: 6
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -218.646107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.646107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.861100 (E_RNA)
where:
Base-Base interactions energy: -134.443
where: short stacking energy: -58.494
Base-Backbone interact. energy: -0.228
local terms energy: -84.190674
where:
bonds (distance) C4'-P energy: -19.221
bonds (distance) P-C4' energy: -24.057
flat angles C4'-P-C4' energy: -21.479
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: -11.461
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: 10, replica: 8
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -187.762474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.762474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.309817 (E_RNA)
where:
Base-Base interactions energy: -113.616
where: short stacking energy: -53.537
Base-Backbone interact. energy: -0.373
local terms energy: -74.320213
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -22.450
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -10.915
Dist. restrs. and SS energy: 0.547 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -277.068961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.068961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.112918 (E_RNA)
where:
Base-Base interactions energy: -166.476
where: short stacking energy: -100.943
Base-Backbone interact. energy: -0.170
local terms energy: -110.466892
where:
bonds (distance) C4'-P energy: -22.645
bonds (distance) P-C4' energy: -22.838
flat angles C4'-P-C4' energy: -21.371
flat angles P-C4'-P energy: -17.175
tors. eta vs tors. theta energy: -26.437
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: 1
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -282.694376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.694376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.557444 (E_RNA)
where:
Base-Base interactions energy: -168.708
where: short stacking energy: -92.802
Base-Backbone interact. energy: -0.001
local terms energy: -114.848013
where:
bonds (distance) C4'-P energy: -24.644
bonds (distance) P-C4' energy: -24.433
flat angles C4'-P-C4' energy: -21.203
flat angles P-C4'-P energy: -14.326
tors. eta vs tors. theta energy: -30.242
Dist. restrs. and SS energy: 0.863 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -252.245342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.245342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.435641 (E_RNA)
where:
Base-Base interactions energy: -157.870
where: short stacking energy: -85.161
Base-Backbone interact. energy: 1.733
local terms energy: -96.298906
where:
bonds (distance) C4'-P energy: -23.341
bonds (distance) P-C4' energy: -18.836
flat angles C4'-P-C4' energy: -22.909
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -18.293
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: 4, replica: 10
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -264.984047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.984047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.862790 (E_RNA)
where:
Base-Base interactions energy: -157.605
where: short stacking energy: -88.782
Base-Backbone interact. energy: -0.002
local terms energy: -109.255801
where:
bonds (distance) C4'-P energy: -21.751
bonds (distance) P-C4' energy: -22.703
flat angles C4'-P-C4' energy: -19.798
flat angles P-C4'-P energy: -13.861
tors. eta vs tors. theta energy: -31.142
Dist. restrs. and SS energy: 1.879 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -264.787622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.787622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.788318 (E_RNA)
where:
Base-Base interactions energy: -158.887
where: short stacking energy: -89.443
Base-Backbone interact. energy: -0.114
local terms energy: -105.786660
where:
bonds (distance) C4'-P energy: -21.392
bonds (distance) P-C4' energy: -23.507
flat angles C4'-P-C4' energy: -21.180
flat angles P-C4'-P energy: -15.377
tors. eta vs tors. theta energy: -24.331
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: 104
Temperature: 1.150000
Total energy: -231.377431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.377431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.538001 (E_RNA)
where:
Base-Base interactions energy: -146.009
where: short stacking energy: -79.742
Base-Backbone interact. energy: -0.129
local terms energy: -85.400125
where:
bonds (distance) C4'-P energy: -16.295
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -17.004
tors. eta vs tors. theta energy: -20.957
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: 7, replica: 4
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -223.236919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.236919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.386933 (E_RNA)
where:
Base-Base interactions energy: -121.039
where: short stacking energy: -57.793
Base-Backbone interact. energy: 0.178
local terms energy: -102.526348
where:
bonds (distance) C4'-P energy: -20.878
bonds (distance) P-C4' energy: -24.793
flat angles C4'-P-C4' energy: -23.814
flat angles P-C4'-P energy: -15.747
tors. eta vs tors. theta energy: -17.295
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: 9
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -216.162618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.162618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.231042 (E_RNA)
where:
Base-Base interactions energy: -128.718
where: short stacking energy: -68.702
Base-Backbone interact. energy: -0.090
local terms energy: -87.423103
where:
bonds (distance) C4'-P energy: -19.679
bonds (distance) P-C4' energy: -19.193
flat angles C4'-P-C4' energy: -20.925
flat angles P-C4'-P energy: -6.022
tors. eta vs tors. theta energy: -21.605
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: 8
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -217.437687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.437687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.898037 (E_RNA)
where:
Base-Base interactions energy: -128.869
where: short stacking energy: -62.583
Base-Backbone interact. energy: -0.234
local terms energy: -88.794787
where:
bonds (distance) C4'-P energy: -21.048
bonds (distance) P-C4' energy: -22.316
flat angles C4'-P-C4' energy: -19.324
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -16.699
Dist. restrs. and SS energy: 0.460 (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: 6
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -215.683462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.683462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.641895 (E_RNA)
where:
Base-Base interactions energy: -143.648
where: short stacking energy: -70.124
Base-Backbone interact. energy: 1.958
local terms energy: -74.951685
where:
bonds (distance) C4'-P energy: -16.934
bonds (distance) P-C4' energy: -16.943
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -12.629
tors. eta vs tors. theta energy: -14.289
Dist. restrs. and SS energy: 0.958 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -292.540555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.540555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.745649 (E_RNA)
where:
Base-Base interactions energy: -174.934
where: short stacking energy: -106.353
Base-Backbone interact. energy: -0.002
local terms energy: -117.810005
where:
bonds (distance) C4'-P energy: -24.359
bonds (distance) P-C4' energy: -25.179
flat angles C4'-P-C4' energy: -21.958
flat angles P-C4'-P energy: -13.943
tors. eta vs tors. theta energy: -32.371
Dist. restrs. and SS energy: 0.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -283.758635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.758635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.325731 (E_RNA)
where:
Base-Base interactions energy: -177.804
where: short stacking energy: -93.709
Base-Backbone interact. energy: -0.773
local terms energy: -106.748726
where:
bonds (distance) C4'-P energy: -21.528
bonds (distance) P-C4' energy: -23.035
flat angles C4'-P-C4' energy: -25.403
flat angles P-C4'-P energy: -13.445
tors. eta vs tors. theta energy: -23.337
Dist. restrs. and SS energy: 1.567 (S_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: 105
Temperature: 1.000000
Total energy: -265.733585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.733585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.761664 (E_RNA)
where:
Base-Base interactions energy: -172.302
where: short stacking energy: -98.093
Base-Backbone interact. energy: -0.046
local terms energy: -93.413527
where:
bonds (distance) C4'-P energy: -18.726
bonds (distance) P-C4' energy: -20.066
flat angles C4'-P-C4' energy: -19.370
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -25.000
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -263.301351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.301351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.784010 (E_RNA)
where:
Base-Base interactions energy: -165.780
where: short stacking energy: -92.026
Base-Backbone interact. energy: 0.833
local terms energy: -98.836643
where:
bonds (distance) C4'-P energy: -19.871
bonds (distance) P-C4' energy: -20.759
flat angles C4'-P-C4' energy: -23.508
flat angles P-C4'-P energy: -17.805
tors. eta vs tors. theta energy: -16.893
Dist. restrs. and SS energy: 0.483 (S_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: -264.408021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.408021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.636412 (E_RNA)
where:
Base-Base interactions energy: -167.189
where: short stacking energy: -83.496
Base-Backbone interact. energy: -0.608
local terms energy: -97.839191
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -20.886
flat angles C4'-P-C4' energy: -21.197
flat angles P-C4'-P energy: -14.532
tors. eta vs tors. theta energy: -25.450
Dist. restrs. and SS energy: 1.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -260.380073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.380073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.493573 (E_RNA)
where:
Base-Base interactions energy: -165.027
where: short stacking energy: -91.626
Base-Backbone interact. energy: -0.154
local terms energy: -95.312570
where:
bonds (distance) C4'-P energy: -22.471
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -20.087
flat angles P-C4'-P energy: -12.889
tors. eta vs tors. theta energy: -23.298
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: 4
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -227.262487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.262487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.295975 (E_RNA)
where:
Base-Base interactions energy: -126.310
where: short stacking energy: -61.622
Base-Backbone interact. energy: 0.187
local terms energy: -101.172469
where:
bonds (distance) C4'-P energy: -23.896
bonds (distance) P-C4' energy: -20.082
flat angles C4'-P-C4' energy: -25.352
flat angles P-C4'-P energy: -15.811
tors. eta vs tors. theta energy: -16.032
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: 105
Temperature: 1.250000
Total energy: -214.160725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.160725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.192893 (E_RNA)
where:
Base-Base interactions energy: -138.203
where: short stacking energy: -67.796
Base-Backbone interact. energy: -0.277
local terms energy: -75.712989
where:
bonds (distance) C4'-P energy: -18.193
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -17.829
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -11.066
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: 9
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -226.193801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.193801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.193801 (E_RNA)
where:
Base-Base interactions energy: -131.718
where: short stacking energy: -69.516
Base-Backbone interact. energy: 0.388
local terms energy: -94.864010
where:
bonds (distance) C4'-P energy: -22.838
bonds (distance) P-C4' energy: -19.614
flat angles C4'-P-C4' energy: -20.494
flat angles P-C4'-P energy: -12.705
tors. eta vs tors. theta energy: -19.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -200.371038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.371038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.371038 (E_RNA)
where:
Base-Base interactions energy: -126.331
where: short stacking energy: -62.602
Base-Backbone interact. energy: 0.773
local terms energy: -74.812966
where:
bonds (distance) C4'-P energy: -17.069
bonds (distance) P-C4' energy: -19.133
flat angles C4'-P-C4' energy: -21.393
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -5.024
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -282.307696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.307696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.341301 (E_RNA)
where:
Base-Base interactions energy: -171.675
where: short stacking energy: -97.295
Base-Backbone interact. energy: 0.082
local terms energy: -110.748457
where:
bonds (distance) C4'-P energy: -24.642
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -20.217
flat angles P-C4'-P energy: -19.834
tors. eta vs tors. theta energy: -27.618
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: 106
Temperature: 0.950000
Total energy: -305.527907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.527907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.549967 (E_RNA)
where:
Base-Base interactions energy: -198.716
where: short stacking energy: -109.430
Base-Backbone interact. energy: 1.349
local terms energy: -108.182942
where:
bonds (distance) C4'-P energy: -19.926
bonds (distance) P-C4' energy: -19.725
flat angles C4'-P-C4' energy: -23.566
flat angles P-C4'-P energy: -13.842
tors. eta vs tors. theta energy: -31.125
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: 5
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -284.801481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.801481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.315302 (E_RNA)
where:
Base-Base interactions energy: -178.769
where: short stacking energy: -104.506
Base-Backbone interact. energy: 0.469
local terms energy: -107.014865
where:
bonds (distance) C4'-P energy: -16.204
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -23.056
flat angles P-C4'-P energy: -15.255
tors. eta vs tors. theta energy: -36.002
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: 4, replica: 2
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -261.593687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.593687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.637439 (E_RNA)
where:
Base-Base interactions energy: -157.214
where: short stacking energy: -83.973
Base-Backbone interact. energy: 0.509
local terms energy: -104.932769
where:
bonds (distance) C4'-P energy: -21.965
bonds (distance) P-C4' energy: -21.483
flat angles C4'-P-C4' energy: -23.948
flat angles P-C4'-P energy: -14.468
tors. eta vs tors. theta energy: -23.069
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: 106
Temperature: 1.100000
Total energy: -262.760948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.760948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.966379 (E_RNA)
where:
Base-Base interactions energy: -162.417
where: short stacking energy: -93.058
Base-Backbone interact. energy: -0.079
local terms energy: -100.470528
where:
bonds (distance) C4'-P energy: -21.208
bonds (distance) P-C4' energy: -25.803
flat angles C4'-P-C4' energy: -19.576
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -22.186
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: 6, replica: 10
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -234.610015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.610015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.779889 (E_RNA)
where:
Base-Base interactions energy: -137.048
where: short stacking energy: -77.720
Base-Backbone interact. energy: 0.130
local terms energy: -97.861869
where:
bonds (distance) C4'-P energy: -17.955
bonds (distance) P-C4' energy: -19.542
flat angles C4'-P-C4' energy: -23.376
flat angles P-C4'-P energy: -16.076
tors. eta vs tors. theta energy: -20.914
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: 106
Temperature: 1.200000
Total energy: -219.627524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.627524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.671191 (E_RNA)
where:
Base-Base interactions energy: -132.870
where: short stacking energy: -57.595
Base-Backbone interact. energy: -0.886
local terms energy: -85.915590
where:
bonds (distance) C4'-P energy: -16.083
bonds (distance) P-C4' energy: -20.650
flat angles C4'-P-C4' energy: -18.523
flat angles P-C4'-P energy: -18.352
tors. eta vs tors. theta energy: -12.308
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: 8, replica: 4
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -214.523809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.523809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.618816 (E_RNA)
where:
Base-Base interactions energy: -127.856
where: short stacking energy: -62.780
Base-Backbone interact. energy: -0.376
local terms energy: -86.386468
where:
bonds (distance) C4'-P energy: -17.625
bonds (distance) P-C4' energy: -23.477
flat angles C4'-P-C4' energy: -24.346
flat angles P-C4'-P energy: -10.353
tors. eta vs tors. theta energy: -10.586
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: 9, replica: 6
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -217.597030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.597030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.207528 (E_RNA)
where:
Base-Base interactions energy: -126.179
where: short stacking energy: -61.976
Base-Backbone interact. energy: -0.045
local terms energy: -91.983490
where:
bonds (distance) C4'-P energy: -20.284
bonds (distance) P-C4' energy: -22.673
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -15.532
tors. eta vs tors. theta energy: -17.674
Dist. restrs. and SS energy: 0.610 (S_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: 106
Temperature: 1.350000
Total energy: -215.756626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.756626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.057779 (E_RNA)
where:
Base-Base interactions energy: -136.200
where: short stacking energy: -59.380
Base-Backbone interact. energy: 3.893
local terms energy: -83.751213
where:
bonds (distance) C4'-P energy: -19.855
bonds (distance) P-C4' energy: -17.434
flat angles C4'-P-C4' energy: -20.185
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -15.804
Dist. restrs. and SS energy: 0.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -295.760475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.760475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.792403 (E_RNA)
where:
Base-Base interactions energy: -176.178
where: short stacking energy: -102.600
Base-Backbone interact. energy: -0.040
local terms energy: -119.573939
where:
bonds (distance) C4'-P energy: -20.794
bonds (distance) P-C4' energy: -22.514
flat angles C4'-P-C4' energy: -26.417
flat angles P-C4'-P energy: -21.196
tors. eta vs tors. theta energy: -28.653
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: 3
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -299.193020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.193020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.345128 (E_RNA)
where:
Base-Base interactions energy: -183.443
where: short stacking energy: -103.511
Base-Backbone interact. energy: -0.039
local terms energy: -115.862755
where:
bonds (distance) C4'-P energy: -21.343
bonds (distance) P-C4' energy: -24.598
flat angles C4'-P-C4' energy: -22.597
flat angles P-C4'-P energy: -16.442
tors. eta vs tors. theta energy: -30.883
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: 5
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -284.067113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.067113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.067113 (E_RNA)
where:
Base-Base interactions energy: -171.595
where: short stacking energy: -98.060
Base-Backbone interact. energy: -0.254
local terms energy: -112.217795
where:
bonds (distance) C4'-P energy: -21.507
bonds (distance) P-C4' energy: -24.667
flat angles C4'-P-C4' energy: -21.369
flat angles P-C4'-P energy: -15.640
tors. eta vs tors. theta energy: -29.035
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: 4, replica: 2
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -239.013813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.013813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.706853 (E_RNA)
where:
Base-Base interactions energy: -142.282
where: short stacking energy: -71.316
Base-Backbone interact. energy: -0.340
local terms energy: -98.085207
where:
bonds (distance) C4'-P energy: -20.008
bonds (distance) P-C4' energy: -26.714
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -13.939
tors. eta vs tors. theta energy: -16.131
Dist. restrs. and SS energy: 1.693 (S_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: 107
Temperature: 1.100000
Total energy: -269.773256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.773256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.859047 (E_RNA)
where:
Base-Base interactions energy: -164.046
where: short stacking energy: -92.271
Base-Backbone interact. energy: -0.306
local terms energy: -105.506903
where:
bonds (distance) C4'-P energy: -22.942
bonds (distance) P-C4' energy: -21.512
flat angles C4'-P-C4' energy: -22.593
flat angles P-C4'-P energy: -14.630
tors. eta vs tors. theta energy: -23.830
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: 10
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -230.892789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.892789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.939737 (E_RNA)
where:
Base-Base interactions energy: -141.275
where: short stacking energy: -77.863
Base-Backbone interact. energy: -0.369
local terms energy: -89.295921
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -23.389
flat angles C4'-P-C4' energy: -19.789
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -19.278
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: 107
Temperature: 1.200000
Total energy: -235.467263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.467263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.655518 (E_RNA)
where:
Base-Base interactions energy: -137.921
where: short stacking energy: -71.883
Base-Backbone interact. energy: -0.064
local terms energy: -97.669678
where:
bonds (distance) C4'-P energy: -23.300
bonds (distance) P-C4' energy: -19.884
flat angles C4'-P-C4' energy: -23.736
flat angles P-C4'-P energy: -15.040
tors. eta vs tors. theta energy: -15.710
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: 6
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -226.035986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.035986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.110528 (E_RNA)
where:
Base-Base interactions energy: -137.277
where: short stacking energy: -81.685
Base-Backbone interact. energy: -0.024
local terms energy: -88.809375
where:
bonds (distance) C4'-P energy: -18.659
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -15.266
tors. eta vs tors. theta energy: -22.588
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: 4
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -208.390170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.390170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.856735 (E_RNA)
where:
Base-Base interactions energy: -120.011
where: short stacking energy: -58.279
Base-Backbone interact. energy: -0.132
local terms energy: -88.713504
where:
bonds (distance) C4'-P energy: -18.815
bonds (distance) P-C4' energy: -19.114
flat angles C4'-P-C4' energy: -17.899
flat angles P-C4'-P energy: -13.646
tors. eta vs tors. theta energy: -19.239
Dist. restrs. and SS energy: 0.467 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -205.489379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.489379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.606652 (E_RNA)
where:
Base-Base interactions energy: -125.375
where: short stacking energy: -58.829
Base-Backbone interact. energy: -0.171
local terms energy: -80.060594
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -19.333
flat angles C4'-P-C4' energy: -22.383
flat angles P-C4'-P energy: -15.465
tors. eta vs tors. theta energy: -8.674
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: 1
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -324.446961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.446961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.253962 (E_RNA)
where:
Base-Base interactions energy: -206.021
where: short stacking energy: -119.941
Base-Backbone interact. energy: -2.740
local terms energy: -116.493356
where:
bonds (distance) C4'-P energy: -21.595
bonds (distance) P-C4' energy: -23.850
flat angles C4'-P-C4' energy: -25.858
flat angles P-C4'-P energy: -11.667
tors. eta vs tors. theta energy: -33.523
Dist. restrs. and SS energy: 0.807 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -288.987075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.987075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.078688 (E_RNA)
where:
Base-Base interactions energy: -176.530
where: short stacking energy: -109.405
Base-Backbone interact. energy: -0.129
local terms energy: -112.419697
where:
bonds (distance) C4'-P energy: -18.871
bonds (distance) P-C4' energy: -23.016
flat angles C4'-P-C4' energy: -21.431
flat angles P-C4'-P energy: -17.658
tors. eta vs tors. theta energy: -31.444
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: 5
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -263.676583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.676583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.755925 (E_RNA)
where:
Base-Base interactions energy: -160.671
where: short stacking energy: -93.971
Base-Backbone interact. energy: -0.015
local terms energy: -103.070636
where:
bonds (distance) C4'-P energy: -20.450
bonds (distance) P-C4' energy: -23.020
flat angles C4'-P-C4' energy: -19.961
flat angles P-C4'-P energy: -13.977
tors. eta vs tors. theta energy: -25.664
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: 2
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -266.948529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.948529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.503107 (E_RNA)
where:
Base-Base interactions energy: -165.527
where: short stacking energy: -83.580
Base-Backbone interact. energy: -0.079
local terms energy: -101.897747
where:
bonds (distance) C4'-P energy: -19.922
bonds (distance) P-C4' energy: -20.699
flat angles C4'-P-C4' energy: -21.575
flat angles P-C4'-P energy: -15.160
tors. eta vs tors. theta energy: -24.542
Dist. restrs. and SS energy: 0.555 (S_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: 108
Temperature: 1.100000
Total energy: -244.817036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.817036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.983786 (E_RNA)
where:
Base-Base interactions energy: -147.525
where: short stacking energy: -84.494
Base-Backbone interact. energy: -0.149
local terms energy: -97.309859
where:
bonds (distance) C4'-P energy: -19.518
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -23.217
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -25.008
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: 6, replica: 7
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -256.921896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.921896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.201859 (E_RNA)
where:
Base-Base interactions energy: -154.785
where: short stacking energy: -88.572
Base-Backbone interact. energy: -0.515
local terms energy: -101.902503
where:
bonds (distance) C4'-P energy: -19.715
bonds (distance) P-C4' energy: -23.529
flat angles C4'-P-C4' energy: -20.449
flat angles P-C4'-P energy: -13.669
tors. eta vs tors. theta energy: -24.541
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: 7, replica: 8
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -225.047384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.047384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.092788 (E_RNA)
where:
Base-Base interactions energy: -134.190
where: short stacking energy: -61.453
Base-Backbone interact. energy: -0.181
local terms energy: -90.721255
where:
bonds (distance) C4'-P energy: -20.788
bonds (distance) P-C4' energy: -21.854
flat angles C4'-P-C4' energy: -18.825
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -17.336
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: 6
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -213.285237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.285237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.346488 (E_RNA)
where:
Base-Base interactions energy: -125.312
where: short stacking energy: -64.653
Base-Backbone interact. energy: -0.338
local terms energy: -87.696254
where:
bonds (distance) C4'-P energy: -19.160
bonds (distance) P-C4' energy: -21.511
flat angles C4'-P-C4' energy: -24.009
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -10.907
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -210.898566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.898566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.154483 (E_RNA)
where:
Base-Base interactions energy: -124.446
where: short stacking energy: -55.124
Base-Backbone interact. energy: -0.160
local terms energy: -86.548389
where:
bonds (distance) C4'-P energy: -19.868
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -19.251
flat angles P-C4'-P energy: -18.361
tors. eta vs tors. theta energy: -10.896
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: 10, replica: 9
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -199.051839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.051839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.200904 (E_RNA)
where:
Base-Base interactions energy: -127.012
where: short stacking energy: -67.313
Base-Backbone interact. energy: -0.411
local terms energy: -71.777759
where:
bonds (distance) C4'-P energy: -20.091
bonds (distance) P-C4' energy: -17.030
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -1.971
tors. eta vs tors. theta energy: -16.245
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: 1
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -294.756085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.756085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.906705 (E_RNA)
where:
Base-Base interactions energy: -177.313
where: short stacking energy: -103.293
Base-Backbone interact. energy: -0.374
local terms energy: -117.219289
where:
bonds (distance) C4'-P energy: -20.778
bonds (distance) P-C4' energy: -21.824
flat angles C4'-P-C4' energy: -23.734
flat angles P-C4'-P energy: -19.275
tors. eta vs tors. theta energy: -31.609
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: 2, replica: 5
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -284.722084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.722084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.737977 (E_RNA)
where:
Base-Base interactions energy: -173.523
where: short stacking energy: -104.143
Base-Backbone interact. energy: -0.136
local terms energy: -111.079375
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -25.809
flat angles C4'-P-C4' energy: -21.563
flat angles P-C4'-P energy: -16.091
tors. eta vs tors. theta energy: -30.066
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: 3
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -276.551718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.551718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.647009 (E_RNA)
where:
Base-Base interactions energy: -162.602
where: short stacking energy: -88.131
Base-Backbone interact. energy: -0.004
local terms energy: -114.041333
where:
bonds (distance) C4'-P energy: -24.447
bonds (distance) P-C4' energy: -21.755
flat angles C4'-P-C4' energy: -24.965
flat angles P-C4'-P energy: -17.447
tors. eta vs tors. theta energy: -25.428
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: 10
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -258.482066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.482066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.746645 (E_RNA)
where:
Base-Base interactions energy: -151.812
where: short stacking energy: -81.260
Base-Backbone interact. energy: -0.117
local terms energy: -106.817768
where:
bonds (distance) C4'-P energy: -22.167
bonds (distance) P-C4' energy: -25.355
flat angles C4'-P-C4' energy: -24.310
flat angles P-C4'-P energy: -14.269
tors. eta vs tors. theta energy: -20.716
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: 5, replica: 2
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -246.403763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.403763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.569053 (E_RNA)
where:
Base-Base interactions energy: -151.952
where: short stacking energy: -74.939
Base-Backbone interact. energy: -0.171
local terms energy: -94.446134
where:
bonds (distance) C4'-P energy: -21.285
bonds (distance) P-C4' energy: -19.678
flat angles C4'-P-C4' energy: -23.617
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -18.819
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: 7
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -242.790032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.790032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.918627 (E_RNA)
where:
Base-Base interactions energy: -153.137
where: short stacking energy: -91.565
Base-Backbone interact. energy: 0.230
local terms energy: -90.012062
where:
bonds (distance) C4'-P energy: -11.736
bonds (distance) P-C4' energy: -23.157
flat angles C4'-P-C4' energy: -19.382
flat angles P-C4'-P energy: -11.891
tors. eta vs tors. theta energy: -23.846
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: 109
Temperature: 1.200000
Total energy: -228.267990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.267990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.282057 (E_RNA)
where:
Base-Base interactions energy: -141.793
where: short stacking energy: -64.724
Base-Backbone interact. energy: -0.066
local terms energy: -86.422971
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -21.561
flat angles C4'-P-C4' energy: -23.104
flat angles P-C4'-P energy: -13.319
tors. eta vs tors. theta energy: -11.520
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: 6
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -215.679076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.679076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.699807 (E_RNA)
where:
Base-Base interactions energy: -124.486
where: short stacking energy: -60.917
Base-Backbone interact. energy: -0.291
local terms energy: -90.922759
where:
bonds (distance) C4'-P energy: -19.412
bonds (distance) P-C4' energy: -22.584
flat angles C4'-P-C4' energy: -21.560
flat angles P-C4'-P energy: -17.118
tors. eta vs tors. theta energy: -10.249
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: 109
Temperature: 1.300000
Total energy: -212.557622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.557622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.786380 (E_RNA)
where:
Base-Base interactions energy: -125.204
where: short stacking energy: -55.978
Base-Backbone interact. energy: -0.169
local terms energy: -88.412816
where:
bonds (distance) C4'-P energy: -19.271
bonds (distance) P-C4' energy: -21.048
flat angles C4'-P-C4' energy: -16.558
flat angles P-C4'-P energy: -13.536
tors. eta vs tors. theta energy: -18.000
Dist. restrs. and SS energy: 1.229 (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: 9
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -204.605695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.605695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.934832 (E_RNA)
where:
Base-Base interactions energy: -124.286
where: short stacking energy: -67.199
Base-Backbone interact. energy: -0.143
local terms energy: -80.505690
where:
bonds (distance) C4'-P energy: -12.763
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -18.708
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -20.223
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: 110
Temperature: 0.900000
Total energy: -291.447639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.447639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.447639 (E_RNA)
where:
Base-Base interactions energy: -182.745
where: short stacking energy: -101.326
Base-Backbone interact. energy: -0.829
local terms energy: -107.873093
where:
bonds (distance) C4'-P energy: -21.018
bonds (distance) P-C4' energy: -21.062
flat angles C4'-P-C4' energy: -20.619
flat angles P-C4'-P energy: -15.985
tors. eta vs tors. theta energy: -29.189
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -289.799819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.799819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.858220 (E_RNA)
where:
Base-Base interactions energy: -176.832
where: short stacking energy: -111.656
Base-Backbone interact. energy: -0.081
local terms energy: -112.944972
where:
bonds (distance) C4'-P energy: -20.464
bonds (distance) P-C4' energy: -23.918
flat angles C4'-P-C4' energy: -25.546
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -32.910
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: 3
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -269.281703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.281703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.330933 (E_RNA)
where:
Base-Base interactions energy: -162.340
where: short stacking energy: -90.061
Base-Backbone interact. energy: 1.025
local terms energy: -108.016096
where:
bonds (distance) C4'-P energy: -16.287
bonds (distance) P-C4' energy: -24.803
flat angles C4'-P-C4' energy: -25.024
flat angles P-C4'-P energy: -15.137
tors. eta vs tors. theta energy: -26.764
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -272.900036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.900036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.948026 (E_RNA)
where:
Base-Base interactions energy: -171.585
where: short stacking energy: -88.140
Base-Backbone interact. energy: -0.175
local terms energy: -103.187478
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -20.064
flat angles C4'-P-C4' energy: -21.828
flat angles P-C4'-P energy: -19.755
tors. eta vs tors. theta energy: -26.080
Dist. restrs. and SS energy: 2.048 (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: 7
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -252.911989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.911989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.255925 (E_RNA)
where:
Base-Base interactions energy: -149.899
where: short stacking energy: -82.220
Base-Backbone interact. energy: -0.751
local terms energy: -102.606016
where:
bonds (distance) C4'-P energy: -17.780
bonds (distance) P-C4' energy: -24.465
flat angles C4'-P-C4' energy: -22.518
flat angles P-C4'-P energy: -14.975
tors. eta vs tors. theta energy: -22.867
Dist. restrs. and SS energy: 0.344 (S_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: -227.520749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.520749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.833536 (E_RNA)
where:
Base-Base interactions energy: -139.859
where: short stacking energy: -57.416
Base-Backbone interact. energy: 0.566
local terms energy: -88.540432
where:
bonds (distance) C4'-P energy: -20.469
bonds (distance) P-C4' energy: -21.475
flat angles C4'-P-C4' energy: -18.591
flat angles P-C4'-P energy: -14.833
tors. eta vs tors. theta energy: -13.171
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: 7, replica: 8
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -218.934243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.934243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.941765 (E_RNA)
where:
Base-Base interactions energy: -132.723
where: short stacking energy: -73.676
Base-Backbone interact. energy: 1.625
local terms energy: -87.843722
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -17.596
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -14.280
tors. eta vs tors. theta energy: -20.941
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: 6
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -217.441628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.441628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.649602 (E_RNA)
where:
Base-Base interactions energy: -127.777
where: short stacking energy: -63.324
Base-Backbone interact. energy: -0.401
local terms energy: -89.471675
where:
bonds (distance) C4'-P energy: -20.799
bonds (distance) P-C4' energy: -25.100
flat angles C4'-P-C4' energy: -19.232
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -14.764
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: 9, replica: 9
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -203.208562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.208562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.208562 (E_RNA)
where:
Base-Base interactions energy: -126.252
where: short stacking energy: -63.795
Base-Backbone interact. energy: -0.086
local terms energy: -76.870325
where:
bonds (distance) C4'-P energy: -19.677
bonds (distance) P-C4' energy: -23.872
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -4.864
tors. eta vs tors. theta energy: -13.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -209.587378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.587378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.691328 (E_RNA)
where:
Base-Base interactions energy: -122.440
where: short stacking energy: -62.088
Base-Backbone interact. energy: -0.183
local terms energy: -87.068508
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -18.499
flat angles C4'-P-C4' energy: -20.645
flat angles P-C4'-P energy: -20.305
tors. eta vs tors. theta energy: -10.864
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: 1
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -288.691854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.691854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.691854 (E_RNA)
where:
Base-Base interactions energy: -179.792
where: short stacking energy: -105.226
Base-Backbone interact. energy: -0.133
local terms energy: -108.766983
where:
bonds (distance) C4'-P energy: -16.860
bonds (distance) P-C4' energy: -22.638
flat angles C4'-P-C4' energy: -24.222
flat angles P-C4'-P energy: -15.724
tors. eta vs tors. theta energy: -29.324
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: 5
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -283.728343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.728343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.987642 (E_RNA)
where:
Base-Base interactions energy: -167.646
where: short stacking energy: -102.380
Base-Backbone interact. energy: -0.422
local terms energy: -115.920037
where:
bonds (distance) C4'-P energy: -24.997
bonds (distance) P-C4' energy: -20.105
flat angles C4'-P-C4' energy: -23.060
flat angles P-C4'-P energy: -16.863
tors. eta vs tors. theta energy: -30.895
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: 3, replica: 3
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -248.851897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.851897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.023644 (E_RNA)
where:
Base-Base interactions energy: -148.260
where: short stacking energy: -82.027
Base-Backbone interact. energy: -0.204
local terms energy: -100.560165
where:
bonds (distance) C4'-P energy: -21.275
bonds (distance) P-C4' energy: -25.416
flat angles C4'-P-C4' energy: -20.061
flat angles P-C4'-P energy: -18.267
tors. eta vs tors. theta energy: -15.541
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: 4, replica: 7
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -255.462894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.462894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.651482 (E_RNA)
where:
Base-Base interactions energy: -155.659
where: short stacking energy: -69.020
Base-Backbone interact. energy: -0.356
local terms energy: -101.636782
where:
bonds (distance) C4'-P energy: -21.168
bonds (distance) P-C4' energy: -21.284
flat angles C4'-P-C4' energy: -21.011
flat angles P-C4'-P energy: -15.296
tors. eta vs tors. theta energy: -22.878
Dist. restrs. and SS energy: 2.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -265.143992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.143992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.014206 (E_RNA)
where:
Base-Base interactions energy: -166.296
where: short stacking energy: -90.819
Base-Backbone interact. energy: 0.105
local terms energy: -99.823020
where:
bonds (distance) C4'-P energy: -16.920
bonds (distance) P-C4' energy: -24.022
flat angles C4'-P-C4' energy: -19.845
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -26.577
Dist. restrs. and SS energy: 0.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -249.193720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.193720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.206630 (E_RNA)
where:
Base-Base interactions energy: -153.561
where: short stacking energy: -84.649
Base-Backbone interact. energy: -0.194
local terms energy: -95.451876
where:
bonds (distance) C4'-P energy: -16.772
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -23.872
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -25.858
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: 111
Temperature: 1.200000
Total energy: -223.860371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.860371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.047035 (E_RNA)
where:
Base-Base interactions energy: -135.838
where: short stacking energy: -60.587
Base-Backbone interact. energy: -0.196
local terms energy: -88.012926
where:
bonds (distance) C4'-P energy: -23.514
bonds (distance) P-C4' energy: -17.183
flat angles C4'-P-C4' energy: -22.661
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -13.278
Dist. restrs. and SS energy: 0.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -211.260381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.260381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.278701 (E_RNA)
where:
Base-Base interactions energy: -126.978
where: short stacking energy: -62.457
Base-Backbone interact. energy: -0.202
local terms energy: -84.099045
where:
bonds (distance) C4'-P energy: -17.872
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -16.646
flat angles P-C4'-P energy: -16.731
tors. eta vs tors. theta energy: -17.565
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: 6
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -205.600078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.600078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.657143 (E_RNA)
where:
Base-Base interactions energy: -123.534
where: short stacking energy: -58.423
Base-Backbone interact. energy: -0.170
local terms energy: -81.953936
where:
bonds (distance) C4'-P energy: -20.667
bonds (distance) P-C4' energy: -19.823
flat angles C4'-P-C4' energy: -21.868
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -8.292
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: 111
Temperature: 1.350000
Total energy: -209.872872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.872872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.888865 (E_RNA)
where:
Base-Base interactions energy: -128.374
where: short stacking energy: -70.350
Base-Backbone interact. energy: 0.011
local terms energy: -81.525174
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -19.608
flat angles C4'-P-C4' energy: -18.997
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -17.664
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: 5
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -281.588307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.588307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.654781 (E_RNA)
where:
Base-Base interactions energy: -174.031
where: short stacking energy: -94.202
Base-Backbone interact. energy: -0.162
local terms energy: -107.461005
where:
bonds (distance) C4'-P energy: -19.408
bonds (distance) P-C4' energy: -24.736
flat angles C4'-P-C4' energy: -25.667
flat angles P-C4'-P energy: -17.334
tors. eta vs tors. theta energy: -20.316
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: 1
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -278.957179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.957179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.976701 (E_RNA)
where:
Base-Base interactions energy: -177.029
where: short stacking energy: -101.192
Base-Backbone interact. energy: -0.104
local terms energy: -101.843924
where:
bonds (distance) C4'-P energy: -21.442
bonds (distance) P-C4' energy: -17.572
flat angles C4'-P-C4' energy: -23.186
flat angles P-C4'-P energy: -15.525
tors. eta vs tors. theta energy: -24.119
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -263.636562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.636562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.648661 (E_RNA)
where:
Base-Base interactions energy: -165.399
where: short stacking energy: -100.568
Base-Backbone interact. energy: -0.105
local terms energy: -98.144068
where:
bonds (distance) C4'-P energy: -18.252
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -20.240
flat angles P-C4'-P energy: -16.082
tors. eta vs tors. theta energy: -26.321
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -250.961648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.961648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.964944 (E_RNA)
where:
Base-Base interactions energy: -158.701
where: short stacking energy: -81.752
Base-Backbone interact. energy: -0.139
local terms energy: -92.125348
where:
bonds (distance) C4'-P energy: -19.101
bonds (distance) P-C4' energy: -18.148
flat angles C4'-P-C4' energy: -21.448
flat angles P-C4'-P energy: -15.071
tors. eta vs tors. theta energy: -18.357
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: 112
Temperature: 1.100000
Total energy: -249.127989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.127989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.212454 (E_RNA)
where:
Base-Base interactions energy: -149.378
where: short stacking energy: -79.142
Base-Backbone interact. energy: -0.076
local terms energy: -99.758362
where:
bonds (distance) C4'-P energy: -21.759
bonds (distance) P-C4' energy: -20.758
flat angles C4'-P-C4' energy: -22.415
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: -27.064
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: 10
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -236.444978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.444978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.215706 (E_RNA)
where:
Base-Base interactions energy: -151.843
where: short stacking energy: -74.882
Base-Backbone interact. energy: -0.067
local terms energy: -86.305358
where:
bonds (distance) C4'-P energy: -12.532
bonds (distance) P-C4' energy: -17.286
flat angles C4'-P-C4' energy: -25.299
flat angles P-C4'-P energy: -11.067
tors. eta vs tors. theta energy: -20.122
Dist. restrs. and SS energy: 1.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -218.844659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.844659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.146171 (E_RNA)
where:
Base-Base interactions energy: -136.004
where: short stacking energy: -56.678
Base-Backbone interact. energy: 0.070
local terms energy: -83.212164
where:
bonds (distance) C4'-P energy: -19.652
bonds (distance) P-C4' energy: -22.742
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -15.413
tors. eta vs tors. theta energy: -7.967
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: 8, replica: 2
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -215.129740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.129740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.943214 (E_RNA)
where:
Base-Base interactions energy: -130.425
where: short stacking energy: -58.671
Base-Backbone interact. energy: 0.913
local terms energy: -86.431408
where:
bonds (distance) C4'-P energy: -20.109
bonds (distance) P-C4' energy: -20.739
flat angles C4'-P-C4' energy: -22.922
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -11.225
Dist. restrs. and SS energy: 0.813 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -217.946214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.946214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.950960 (E_RNA)
where:
Base-Base interactions energy: -132.415
where: short stacking energy: -72.098
Base-Backbone interact. energy: -0.324
local terms energy: -85.212772
where:
bonds (distance) C4'-P energy: -22.939
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -17.592
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -14.954
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: 6
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -197.638646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.638646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.130291 (E_RNA)
where:
Base-Base interactions energy: -113.830
where: short stacking energy: -61.012
Base-Backbone interact. energy: -0.234
local terms energy: -84.066644
where:
bonds (distance) C4'-P energy: -19.011
bonds (distance) P-C4' energy: -18.890
flat angles C4'-P-C4' energy: -19.517
flat angles P-C4'-P energy: -13.668
tors. eta vs tors. theta energy: -12.981
Dist. restrs. and SS energy: 0.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -304.601399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.601399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.601399 (E_RNA)
where:
Base-Base interactions energy: -187.526
where: short stacking energy: -113.944
Base-Backbone interact. energy: -0.057
local terms energy: -117.019366
where:
bonds (distance) C4'-P energy: -20.311
bonds (distance) P-C4' energy: -23.225
flat angles C4'-P-C4' energy: -24.946
flat angles P-C4'-P energy: -15.262
tors. eta vs tors. theta energy: -33.276
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -270.994895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.994895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.041799 (E_RNA)
where:
Base-Base interactions energy: -168.815
where: short stacking energy: -103.253
Base-Backbone interact. energy: -0.023
local terms energy: -102.204176
where:
bonds (distance) C4'-P energy: -18.999
bonds (distance) P-C4' energy: -21.826
flat angles C4'-P-C4' energy: -23.025
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -28.683
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: 113
Temperature: 1.000000
Total energy: -293.127455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.127455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.503466 (E_RNA)
where:
Base-Base interactions energy: -181.418
where: short stacking energy: -105.276
Base-Backbone interact. energy: 3.112
local terms energy: -117.197490
where:
bonds (distance) C4'-P energy: -21.572
bonds (distance) P-C4' energy: -22.666
flat angles C4'-P-C4' energy: -24.422
flat angles P-C4'-P energy: -18.469
tors. eta vs tors. theta energy: -30.068
Dist. restrs. and SS energy: 2.376 (S_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: 113
Temperature: 1.050000
Total energy: -261.735222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.735222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.753066 (E_RNA)
where:
Base-Base interactions energy: -154.064
where: short stacking energy: -84.719
Base-Backbone interact. energy: -1.260
local terms energy: -106.429474
where:
bonds (distance) C4'-P energy: -24.641
bonds (distance) P-C4' energy: -18.583
flat angles C4'-P-C4' energy: -25.234
flat angles P-C4'-P energy: -16.280
tors. eta vs tors. theta energy: -21.692
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -248.706572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.706572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.774143 (E_RNA)
where:
Base-Base interactions energy: -152.560
where: short stacking energy: -89.137
Base-Backbone interact. energy: -0.062
local terms energy: -96.152861
where:
bonds (distance) C4'-P energy: -20.310
bonds (distance) P-C4' energy: -18.040
flat angles C4'-P-C4' energy: -20.272
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -24.771
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: 113
Temperature: 1.150000
Total energy: -230.673142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.673142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.075001 (E_RNA)
where:
Base-Base interactions energy: -140.951
where: short stacking energy: -71.359
Base-Backbone interact. energy: -0.803
local terms energy: -89.320816
where:
bonds (distance) C4'-P energy: -18.066
bonds (distance) P-C4' energy: -24.059
flat angles C4'-P-C4' energy: -25.429
flat angles P-C4'-P energy: -6.757
tors. eta vs tors. theta energy: -15.010
Dist. restrs. and SS energy: 0.402 (S_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: 113
Temperature: 1.200000
Total energy: -220.883293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.883293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.912220 (E_RNA)
where:
Base-Base interactions energy: -130.529
where: short stacking energy: -64.837
Base-Backbone interact. energy: -0.388
local terms energy: -89.995574
where:
bonds (distance) C4'-P energy: -21.160
bonds (distance) P-C4' energy: -20.854
flat angles C4'-P-C4' energy: -19.916
flat angles P-C4'-P energy: -14.920
tors. eta vs tors. theta energy: -13.145
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: 113
Temperature: 1.250000
Total energy: -210.333540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.333540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.375448 (E_RNA)
where:
Base-Base interactions energy: -120.761
where: short stacking energy: -54.477
Base-Backbone interact. energy: 5.783
local terms energy: -95.396811
where:
bonds (distance) C4'-P energy: -24.579
bonds (distance) P-C4' energy: -22.271
flat angles C4'-P-C4' energy: -20.871
flat angles P-C4'-P energy: -16.802
tors. eta vs tors. theta energy: -10.874
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -212.909828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.909828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.822061 (E_RNA)
where:
Base-Base interactions energy: -128.957
where: short stacking energy: -64.481
Base-Backbone interact. energy: 0.161
local terms energy: -85.026306
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -22.939
flat angles C4'-P-C4' energy: -22.073
flat angles P-C4'-P energy: -13.764
tors. eta vs tors. theta energy: -10.519
Dist. restrs. and SS energy: 0.912 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -204.620528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.620528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.733848 (E_RNA)
where:
Base-Base interactions energy: -120.049
where: short stacking energy: -62.396
Base-Backbone interact. energy: -0.273
local terms energy: -84.411415
where:
bonds (distance) C4'-P energy: -19.156
bonds (distance) P-C4' energy: -20.366
flat angles C4'-P-C4' energy: -22.129
flat angles P-C4'-P energy: -7.572
tors. eta vs tors. theta energy: -15.188
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: 1, replica: 5
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -311.327589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.327589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.520893 (E_RNA)
where:
Base-Base interactions energy: -193.611
where: short stacking energy: -116.536
Base-Backbone interact. energy: -0.000
local terms energy: -117.910138
where:
bonds (distance) C4'-P energy: -19.410
bonds (distance) P-C4' energy: -26.557
flat angles C4'-P-C4' energy: -20.193
flat angles P-C4'-P energy: -16.051
tors. eta vs tors. theta energy: -35.698
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: 3
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -295.590909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.590909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.616601 (E_RNA)
where:
Base-Base interactions energy: -190.499
where: short stacking energy: -104.665
Base-Backbone interact. energy: -0.226
local terms energy: -104.891042
where:
bonds (distance) C4'-P energy: -21.801
bonds (distance) P-C4' energy: -24.576
flat angles C4'-P-C4' energy: -21.734
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -25.973
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -260.797917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.797917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.845400 (E_RNA)
where:
Base-Base interactions energy: -159.249
where: short stacking energy: -89.132
Base-Backbone interact. energy: -0.164
local terms energy: -101.432809
where:
bonds (distance) C4'-P energy: -17.359
bonds (distance) P-C4' energy: -23.075
flat angles C4'-P-C4' energy: -23.529
flat angles P-C4'-P energy: -13.849
tors. eta vs tors. theta energy: -23.621
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -284.758805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.758805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.823758 (E_RNA)
where:
Base-Base interactions energy: -173.090
where: short stacking energy: -104.928
Base-Backbone interact. energy: -0.990
local terms energy: -110.743360
where:
bonds (distance) C4'-P energy: -18.093
bonds (distance) P-C4' energy: -20.844
flat angles C4'-P-C4' energy: -23.669
flat angles P-C4'-P energy: -14.963
tors. eta vs tors. theta energy: -33.174
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: 7
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -242.407182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.407182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.510372 (E_RNA)
where:
Base-Base interactions energy: -155.969
where: short stacking energy: -80.288
Base-Backbone interact. energy: -0.121
local terms energy: -86.420225
where:
bonds (distance) C4'-P energy: -9.229
bonds (distance) P-C4' energy: -17.641
flat angles C4'-P-C4' energy: -25.844
flat angles P-C4'-P energy: -12.183
tors. eta vs tors. theta energy: -21.523
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: 6, replica: 9
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -238.306094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.306094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.336961 (E_RNA)
where:
Base-Base interactions energy: -144.667
where: short stacking energy: -79.051
Base-Backbone interact. energy: 0.256
local terms energy: -93.925323
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -19.068
flat angles C4'-P-C4' energy: -24.239
flat angles P-C4'-P energy: -13.816
tors. eta vs tors. theta energy: -22.265
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -242.341587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.341587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.232380 (E_RNA)
where:
Base-Base interactions energy: -150.415
where: short stacking energy: -82.416
Base-Backbone interact. energy: -0.063
local terms energy: -93.754609
where:
bonds (distance) C4'-P energy: -21.168
bonds (distance) P-C4' energy: -22.549
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -22.787
Dist. restrs. and SS energy: 1.891 (S_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: 114
Temperature: 1.250000
Total energy: -221.640750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.640750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.769067 (E_RNA)
where:
Base-Base interactions energy: -136.763
where: short stacking energy: -70.137
Base-Backbone interact. energy: -0.164
local terms energy: -84.841874
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -24.825
flat angles C4'-P-C4' energy: -19.478
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -15.636
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: 9, replica: 6
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -203.776873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.776873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.796937 (E_RNA)
where:
Base-Base interactions energy: -123.882
where: short stacking energy: -57.547
Base-Backbone interact. energy: -0.120
local terms energy: -79.794722
where:
bonds (distance) C4'-P energy: -20.328
bonds (distance) P-C4' energy: -18.093
flat angles C4'-P-C4' energy: -16.603
flat angles P-C4'-P energy: -14.896
tors. eta vs tors. theta energy: -9.875
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: 2
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -211.428867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.428867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.598828 (E_RNA)
where:
Base-Base interactions energy: -131.360
where: short stacking energy: -69.635
Base-Backbone interact. energy: -0.142
local terms energy: -80.096433
where:
bonds (distance) C4'-P energy: -23.826
bonds (distance) P-C4' energy: -22.917
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: 0.543
tors. eta vs tors. theta energy: -17.393
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: 5
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -302.899092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.899092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.930039 (E_RNA)
where:
Base-Base interactions energy: -187.388
where: short stacking energy: -119.481
Base-Backbone interact. energy: -0.101
local terms energy: -115.441126
where:
bonds (distance) C4'-P energy: -21.636
bonds (distance) P-C4' energy: -20.633
flat angles C4'-P-C4' energy: -22.536
flat angles P-C4'-P energy: -17.036
tors. eta vs tors. theta energy: -33.600
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: 3
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -282.361765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.361765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.412388 (E_RNA)
where:
Base-Base interactions energy: -179.423
where: short stacking energy: -95.964
Base-Backbone interact. energy: -0.376
local terms energy: -102.613557
where:
bonds (distance) C4'-P energy: -21.461
bonds (distance) P-C4' energy: -20.071
flat angles C4'-P-C4' energy: -21.670
flat angles P-C4'-P energy: -15.736
tors. eta vs tors. theta energy: -23.675
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -263.973717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.973717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.030179 (E_RNA)
where:
Base-Base interactions energy: -153.575
where: short stacking energy: -83.526
Base-Backbone interact. energy: -0.014
local terms energy: -110.441325
where:
bonds (distance) C4'-P energy: -23.372
bonds (distance) P-C4' energy: -22.608
flat angles C4'-P-C4' energy: -22.009
flat angles P-C4'-P energy: -16.774
tors. eta vs tors. theta energy: -25.678
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: 1
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -276.064055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.064055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.110075 (E_RNA)
where:
Base-Base interactions energy: -161.500
where: short stacking energy: -96.005
Base-Backbone interact. energy: -0.734
local terms energy: -113.876401
where:
bonds (distance) C4'-P energy: -21.865
bonds (distance) P-C4' energy: -25.182
flat angles C4'-P-C4' energy: -24.033
flat angles P-C4'-P energy: -16.575
tors. eta vs tors. theta energy: -26.222
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: 115
Temperature: 1.100000
Total energy: -237.744685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.744685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.855182 (E_RNA)
where:
Base-Base interactions energy: -149.836
where: short stacking energy: -65.942
Base-Backbone interact. energy: -0.735
local terms energy: -87.284298
where:
bonds (distance) C4'-P energy: -24.315
bonds (distance) P-C4' energy: -19.543
flat angles C4'-P-C4' energy: -17.549
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: -16.172
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: 4
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -229.183545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.183545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.421094 (E_RNA)
where:
Base-Base interactions energy: -130.372
where: short stacking energy: -71.198
Base-Backbone interact. energy: -0.719
local terms energy: -98.330621
where:
bonds (distance) C4'-P energy: -18.420
bonds (distance) P-C4' energy: -23.239
flat angles C4'-P-C4' energy: -20.061
flat angles P-C4'-P energy: -15.433
tors. eta vs tors. theta energy: -21.178
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: 7, replica: 9
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -221.968576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.968576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.888450 (E_RNA)
where:
Base-Base interactions energy: -133.708
where: short stacking energy: -54.507
Base-Backbone interact. energy: 0.884
local terms energy: -90.064192
where:
bonds (distance) C4'-P energy: -23.725
bonds (distance) P-C4' energy: -18.366
flat angles C4'-P-C4' energy: -20.253
flat angles P-C4'-P energy: -16.991
tors. eta vs tors. theta energy: -10.729
Dist. restrs. and SS energy: 0.920 (S_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: -220.887475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.887475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.827074 (E_RNA)
where:
Base-Base interactions energy: -139.754
where: short stacking energy: -66.033
Base-Backbone interact. energy: -1.143
local terms energy: -81.930688
where:
bonds (distance) C4'-P energy: -18.647
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -19.269
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: -18.481
Dist. restrs. and SS energy: 1.940 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -198.903745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.903745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.963578 (E_RNA)
where:
Base-Base interactions energy: -114.435
where: short stacking energy: -48.690
Base-Backbone interact. energy: -0.356
local terms energy: -84.172914
where:
bonds (distance) C4'-P energy: -19.421
bonds (distance) P-C4' energy: -22.392
flat angles C4'-P-C4' energy: -21.600
flat angles P-C4'-P energy: -13.647
tors. eta vs tors. theta energy: -7.113
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: 2
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -213.591836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.591836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.034973 (E_RNA)
where:
Base-Base interactions energy: -141.901
where: short stacking energy: -62.821
Base-Backbone interact. energy: -0.357
local terms energy: -72.776933
where:
bonds (distance) C4'-P energy: -10.342
bonds (distance) P-C4' energy: -19.589
flat angles C4'-P-C4' energy: -20.682
flat angles P-C4'-P energy: -14.015
tors. eta vs tors. theta energy: -8.149
Dist. restrs. and SS energy: 1.443 (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: 5
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -300.600381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.600381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.655422 (E_RNA)
where:
Base-Base interactions energy: -183.714
where: short stacking energy: -108.284
Base-Backbone interact. energy: -0.000
local terms energy: -116.940964
where:
bonds (distance) C4'-P energy: -21.855
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -23.276
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -34.608
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -287.510473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.510473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.562103 (E_RNA)
where:
Base-Base interactions energy: -184.014
where: short stacking energy: -89.883
Base-Backbone interact. energy: -0.106
local terms energy: -103.441684
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -22.817
flat angles C4'-P-C4' energy: -27.785
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -25.404
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: 8
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -270.308113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.308113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.494725 (E_RNA)
where:
Base-Base interactions energy: -165.268
where: short stacking energy: -93.254
Base-Backbone interact. energy: -0.071
local terms energy: -105.155787
where:
bonds (distance) C4'-P energy: -22.034
bonds (distance) P-C4' energy: -22.120
flat angles C4'-P-C4' energy: -19.347
flat angles P-C4'-P energy: -16.020
tors. eta vs tors. theta energy: -25.634
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: 116
Temperature: 1.050000
Total energy: -255.217487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.217487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.792953 (E_RNA)
where:
Base-Base interactions energy: -153.076
where: short stacking energy: -88.747
Base-Backbone interact. energy: 1.200
local terms energy: -103.917465
where:
bonds (distance) C4'-P energy: -23.172
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -25.125
flat angles P-C4'-P energy: -14.843
tors. eta vs tors. theta energy: -24.005
Dist. restrs. and SS energy: 0.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -250.922394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.922394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.999959 (E_RNA)
where:
Base-Base interactions energy: -146.375
where: short stacking energy: -81.245
Base-Backbone interact. energy: -0.061
local terms energy: -104.563883
where:
bonds (distance) C4'-P energy: -21.536
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -23.378
flat angles P-C4'-P energy: -15.062
tors. eta vs tors. theta energy: -25.530
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: 4
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -235.272456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.272456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.554193 (E_RNA)
where:
Base-Base interactions energy: -143.682
where: short stacking energy: -78.518
Base-Backbone interact. energy: -0.238
local terms energy: -93.634773
where:
bonds (distance) C4'-P energy: -17.117
bonds (distance) P-C4' energy: -20.222
flat angles C4'-P-C4' energy: -21.488
flat angles P-C4'-P energy: -13.848
tors. eta vs tors. theta energy: -20.960
Dist. restrs. and SS energy: 2.282 (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: 10
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -232.931437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.931437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.116956 (E_RNA)
where:
Base-Base interactions energy: -139.720
where: short stacking energy: -76.341
Base-Backbone interact. energy: -0.155
local terms energy: -93.242111
where:
bonds (distance) C4'-P energy: -20.502
bonds (distance) P-C4' energy: -20.408
flat angles C4'-P-C4' energy: -24.616
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -17.547
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: 8, replica: 9
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -198.451974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.451974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.501794 (E_RNA)
where:
Base-Base interactions energy: -114.456
where: short stacking energy: -56.551
Base-Backbone interact. energy: -0.735
local terms energy: -83.311070
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -21.538
flat angles C4'-P-C4' energy: -21.298
flat angles P-C4'-P energy: -13.044
tors. eta vs tors. theta energy: -10.581
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: 2
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -209.471087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.471087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.604384 (E_RNA)
where:
Base-Base interactions energy: -113.294
where: short stacking energy: -56.427
Base-Backbone interact. energy: -0.243
local terms energy: -96.067939
where:
bonds (distance) C4'-P energy: -24.998
bonds (distance) P-C4' energy: -23.888
flat angles C4'-P-C4' energy: -16.320
flat angles P-C4'-P energy: -15.597
tors. eta vs tors. theta energy: -15.266
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: 6
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -193.867317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.867317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.132901 (E_RNA)
where:
Base-Base interactions energy: -120.295
where: short stacking energy: -61.886
Base-Backbone interact. energy: -0.853
local terms energy: -72.984656
where:
bonds (distance) C4'-P energy: -21.400
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -12.625
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: 1, replica: 5
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -303.898701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.898701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.942581 (E_RNA)
where:
Base-Base interactions energy: -194.946
where: short stacking energy: -114.611
Base-Backbone interact. energy: -0.376
local terms energy: -108.621269
where:
bonds (distance) C4'-P energy: -22.008
bonds (distance) P-C4' energy: -19.399
flat angles C4'-P-C4' energy: -21.319
flat angles P-C4'-P energy: -15.952
tors. eta vs tors. theta energy: -29.944
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -287.796984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.796984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.918803 (E_RNA)
where:
Base-Base interactions energy: -173.831
where: short stacking energy: -103.290
Base-Backbone interact. energy: -0.096
local terms energy: -113.991833
where:
bonds (distance) C4'-P energy: -18.017
bonds (distance) P-C4' energy: -25.928
flat angles C4'-P-C4' energy: -23.335
flat angles P-C4'-P energy: -16.512
tors. eta vs tors. theta energy: -30.199
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: 117
Temperature: 1.000000
Total energy: -276.642473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.642473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.766995 (E_RNA)
where:
Base-Base interactions energy: -178.093
where: short stacking energy: -92.458
Base-Backbone interact. energy: -0.127
local terms energy: -98.547341
where:
bonds (distance) C4'-P energy: -17.770
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -21.353
flat angles P-C4'-P energy: -15.268
tors. eta vs tors. theta energy: -26.641
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: 7
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -240.391275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.391275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.399153 (E_RNA)
where:
Base-Base interactions energy: -147.635
where: short stacking energy: -83.880
Base-Backbone interact. energy: -0.126
local terms energy: -92.637426
where:
bonds (distance) C4'-P energy: -18.294
bonds (distance) P-C4' energy: -19.711
flat angles C4'-P-C4' energy: -24.392
flat angles P-C4'-P energy: -12.829
tors. eta vs tors. theta energy: -17.411
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: 1
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -248.408693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.408693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.484609 (E_RNA)
where:
Base-Base interactions energy: -154.051
where: short stacking energy: -87.083
Base-Backbone interact. energy: -0.013
local terms energy: -94.420022
where:
bonds (distance) C4'-P energy: -20.553
bonds (distance) P-C4' energy: -21.706
flat angles C4'-P-C4' energy: -18.398
flat angles P-C4'-P energy: -13.265
tors. eta vs tors. theta energy: -20.498
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: 10
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -239.729720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.729720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.729720 (E_RNA)
where:
Base-Base interactions energy: -154.577
where: short stacking energy: -66.139
Base-Backbone interact. energy: -0.800
local terms energy: -84.353079
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -18.792
flat angles C4'-P-C4' energy: -25.276
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: -14.407
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -231.307364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.307364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.944175 (E_RNA)
where:
Base-Base interactions energy: -145.427
where: short stacking energy: -75.809
Base-Backbone interact. energy: -0.060
local terms energy: -86.457264
where:
bonds (distance) C4'-P energy: -20.994
bonds (distance) P-C4' energy: -9.988
flat angles C4'-P-C4' energy: -23.094
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -21.122
Dist. restrs. and SS energy: 0.637 (S_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: 117
Temperature: 1.250000
Total energy: -218.347115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.347115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.394676 (E_RNA)
where:
Base-Base interactions energy: -132.706
where: short stacking energy: -74.702
Base-Backbone interact. energy: -0.180
local terms energy: -85.509476
where:
bonds (distance) C4'-P energy: -18.873
bonds (distance) P-C4' energy: -21.429
flat angles C4'-P-C4' energy: -21.130
flat angles P-C4'-P energy: -6.441
tors. eta vs tors. theta energy: -17.636
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: 9
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -191.575297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.575297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.671015 (E_RNA)
where:
Base-Base interactions energy: -106.929
where: short stacking energy: -50.345
Base-Backbone interact. energy: -0.107
local terms energy: -84.634848
where:
bonds (distance) C4'-P energy: -22.609
bonds (distance) P-C4' energy: -20.587
flat angles C4'-P-C4' energy: -22.956
flat angles P-C4'-P energy: -13.972
tors. eta vs tors. theta energy: -4.512
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: 10, replica: 6
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -198.553901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.553901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.570252 (E_RNA)
where:
Base-Base interactions energy: -122.368
where: short stacking energy: -52.370
Base-Backbone interact. energy: -0.152
local terms energy: -76.050170
where:
bonds (distance) C4'-P energy: -23.192
bonds (distance) P-C4' energy: -18.825
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -15.403
tors. eta vs tors. theta energy: -2.279
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: 8
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -309.736149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.736149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.759950 (E_RNA)
where:
Base-Base interactions energy: -186.027
where: short stacking energy: -105.961
Base-Backbone interact. energy: -0.643
local terms energy: -123.089937
where:
bonds (distance) C4'-P energy: -20.629
bonds (distance) P-C4' energy: -24.623
flat angles C4'-P-C4' energy: -25.113
flat angles P-C4'-P energy: -20.538
tors. eta vs tors. theta energy: -32.186
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: 5
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -286.838258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.838258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.919214 (E_RNA)
where:
Base-Base interactions energy: -175.728
where: short stacking energy: -99.841
Base-Backbone interact. energy: -0.005
local terms energy: -111.187050
where:
bonds (distance) C4'-P energy: -23.089
bonds (distance) P-C4' energy: -21.819
flat angles C4'-P-C4' energy: -21.329
flat angles P-C4'-P energy: -16.857
tors. eta vs tors. theta energy: -28.092
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -261.488495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.488495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.488495 (E_RNA)
where:
Base-Base interactions energy: -164.287
where: short stacking energy: -85.757
Base-Backbone interact. energy: -0.131
local terms energy: -97.070630
where:
bonds (distance) C4'-P energy: -17.162
bonds (distance) P-C4' energy: -25.678
flat angles C4'-P-C4' energy: -22.909
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: -21.019
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -243.157816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.157816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.173207 (E_RNA)
where:
Base-Base interactions energy: -149.747
where: short stacking energy: -73.995
Base-Backbone interact. energy: -0.098
local terms energy: -93.329088
where:
bonds (distance) C4'-P energy: -21.554
bonds (distance) P-C4' energy: -18.956
flat angles C4'-P-C4' energy: -25.108
flat angles P-C4'-P energy: -15.029
tors. eta vs tors. theta energy: -12.682
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: 10
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -262.099146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.099146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.131797 (E_RNA)
where:
Base-Base interactions energy: -162.433
where: short stacking energy: -90.464
Base-Backbone interact. energy: -0.127
local terms energy: -99.571502
where:
bonds (distance) C4'-P energy: -25.134
bonds (distance) P-C4' energy: -20.902
flat angles C4'-P-C4' energy: -18.792
flat angles P-C4'-P energy: -16.305
tors. eta vs tors. theta energy: -18.439
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: 1
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -241.404519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.404519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.446173 (E_RNA)
where:
Base-Base interactions energy: -144.009
where: short stacking energy: -82.746
Base-Backbone interact. energy: -0.102
local terms energy: -97.334693
where:
bonds (distance) C4'-P energy: -21.954
bonds (distance) P-C4' energy: -22.751
flat angles C4'-P-C4' energy: -20.322
flat angles P-C4'-P energy: -18.110
tors. eta vs tors. theta energy: -14.198
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: 4
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -240.197371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.197371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.135093 (E_RNA)
where:
Base-Base interactions energy: -155.096
where: short stacking energy: -82.909
Base-Backbone interact. energy: 0.793
local terms energy: -87.832659
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -20.257
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -18.518
tors. eta vs tors. theta energy: -20.962
Dist. restrs. and SS energy: 1.938 (S_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: 118
Temperature: 1.250000
Total energy: -218.992535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.992535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.221614 (E_RNA)
where:
Base-Base interactions energy: -143.137
where: short stacking energy: -78.538
Base-Backbone interact. energy: 0.677
local terms energy: -76.762120
where:
bonds (distance) C4'-P energy: -9.565
bonds (distance) P-C4' energy: -16.720
flat angles C4'-P-C4' energy: -19.601
flat angles P-C4'-P energy: -15.695
tors. eta vs tors. theta energy: -15.181
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: 9, replica: 6
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -199.608780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.608780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.795286 (E_RNA)
where:
Base-Base interactions energy: -122.517
where: short stacking energy: -58.754
Base-Backbone interact. energy: -0.371
local terms energy: -76.907304
where:
bonds (distance) C4'-P energy: -17.912
bonds (distance) P-C4' energy: -24.129
flat angles C4'-P-C4' energy: -12.370
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: -10.809
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: 10, replica: 9
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -187.225428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.225428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.259438 (E_RNA)
where:
Base-Base interactions energy: -114.257
where: short stacking energy: -52.462
Base-Backbone interact. energy: -0.811
local terms energy: -72.191309
where:
bonds (distance) C4'-P energy: -20.195
bonds (distance) P-C4' energy: -18.258
flat angles C4'-P-C4' energy: -12.419
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -10.422
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -315.634953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.634953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.042472 (E_RNA)
where:
Base-Base interactions energy: -194.624
where: short stacking energy: -109.578
Base-Backbone interact. energy: 0.318
local terms energy: -123.736936
where:
bonds (distance) C4'-P energy: -22.211
bonds (distance) P-C4' energy: -22.682
flat angles C4'-P-C4' energy: -24.382
flat angles P-C4'-P energy: -17.333
tors. eta vs tors. theta energy: -37.130
Dist. restrs. and SS energy: 2.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -286.801161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.801161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.462069 (E_RNA)
where:
Base-Base interactions energy: -174.909
where: short stacking energy: -90.735
Base-Backbone interact. energy: -0.187
local terms energy: -112.366278
where:
bonds (distance) C4'-P energy: -19.084
bonds (distance) P-C4' energy: -25.163
flat angles C4'-P-C4' energy: -25.763
flat angles P-C4'-P energy: -16.672
tors. eta vs tors. theta energy: -25.684
Dist. restrs. and SS energy: 0.661 (S_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: 119
Temperature: 1.000000
Total energy: -270.012424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.012424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.076177 (E_RNA)
where:
Base-Base interactions energy: -167.213
where: short stacking energy: -89.453
Base-Backbone interact. energy: -1.038
local terms energy: -101.825604
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -25.548
flat angles C4'-P-C4' energy: -24.609
flat angles P-C4'-P energy: -17.287
tors. eta vs tors. theta energy: -21.804
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: 10
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -267.208206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.208206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.296213 (E_RNA)
where:
Base-Base interactions energy: -160.734
where: short stacking energy: -85.170
Base-Backbone interact. energy: -0.440
local terms energy: -106.121813
where:
bonds (distance) C4'-P energy: -22.662
bonds (distance) P-C4' energy: -24.315
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -18.449
tors. eta vs tors. theta energy: -22.569
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: 3
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -243.421119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.421119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.458853 (E_RNA)
where:
Base-Base interactions energy: -144.627
where: short stacking energy: -65.557
Base-Backbone interact. energy: -0.089
local terms energy: -98.742879
where:
bonds (distance) C4'-P energy: -24.882
bonds (distance) P-C4' energy: -21.085
flat angles C4'-P-C4' energy: -23.738
flat angles P-C4'-P energy: -13.184
tors. eta vs tors. theta energy: -15.853
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: 4
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -228.039197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.039197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.259955 (E_RNA)
where:
Base-Base interactions energy: -147.993
where: short stacking energy: -74.869
Base-Backbone interact. energy: 0.047
local terms energy: -82.314135
where:
bonds (distance) C4'-P energy: -11.240
bonds (distance) P-C4' energy: -18.217
flat angles C4'-P-C4' energy: -17.530
flat angles P-C4'-P energy: -18.268
tors. eta vs tors. theta energy: -17.059
Dist. restrs. and SS energy: 2.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -219.332636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.332636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.335637 (E_RNA)
where:
Base-Base interactions energy: -137.535
where: short stacking energy: -71.381
Base-Backbone interact. energy: -0.127
local terms energy: -81.673093
where:
bonds (distance) C4'-P energy: -22.286
bonds (distance) P-C4' energy: -19.796
flat angles C4'-P-C4' energy: -18.618
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -10.569
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: 6
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -222.559833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.559833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.727886 (E_RNA)
where:
Base-Base interactions energy: -134.691
where: short stacking energy: -63.428
Base-Backbone interact. energy: -0.495
local terms energy: -87.541216
where:
bonds (distance) C4'-P energy: -23.009
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -18.149
flat angles P-C4'-P energy: -18.609
tors. eta vs tors. theta energy: -11.558
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: 9, replica: 2
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -200.577628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.577628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.744199 (E_RNA)
where:
Base-Base interactions energy: -118.047
where: short stacking energy: -59.825
Base-Backbone interact. energy: -0.577
local terms energy: -82.120033
where:
bonds (distance) C4'-P energy: -17.589
bonds (distance) P-C4' energy: -22.413
flat angles C4'-P-C4' energy: -16.956
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -15.236
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: 9
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -179.042792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.042792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.136249 (E_RNA)
where:
Base-Base interactions energy: -106.532
where: short stacking energy: -54.224
Base-Backbone interact. energy: -0.237
local terms energy: -72.367288
where:
bonds (distance) C4'-P energy: -20.141
bonds (distance) P-C4' energy: -8.773
flat angles C4'-P-C4' energy: -14.279
flat angles P-C4'-P energy: -16.781
tors. eta vs tors. theta energy: -12.394
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -306.573401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.573401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.688286 (E_RNA)
where:
Base-Base interactions energy: -188.944
where: short stacking energy: -109.245
Base-Backbone interact. energy: -0.108
local terms energy: -117.635530
where:
bonds (distance) C4'-P energy: -24.910
bonds (distance) P-C4' energy: -25.220
flat angles C4'-P-C4' energy: -22.069
flat angles P-C4'-P energy: -13.712
tors. eta vs tors. theta energy: -31.725
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: 120
Temperature: 0.950000
Total energy: -284.149131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.149131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.573838 (E_RNA)
where:
Base-Base interactions energy: -179.328
where: short stacking energy: -99.093
Base-Backbone interact. energy: -0.165
local terms energy: -106.080827
where:
bonds (distance) C4'-P energy: -20.355
bonds (distance) P-C4' energy: -22.732
flat angles C4'-P-C4' energy: -18.705
flat angles P-C4'-P energy: -17.057
tors. eta vs tors. theta energy: -27.232
Dist. restrs. and SS energy: 1.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -281.452693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.452693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.467868 (E_RNA)
where:
Base-Base interactions energy: -179.777
where: short stacking energy: -105.973
Base-Backbone interact. energy: -0.004
local terms energy: -101.687389
where:
bonds (distance) C4'-P energy: -17.317
bonds (distance) P-C4' energy: -21.086
flat angles C4'-P-C4' energy: -20.077
flat angles P-C4'-P energy: -13.516
tors. eta vs tors. theta energy: -29.691
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: 5
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -279.901135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.901135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.092072 (E_RNA)
where:
Base-Base interactions energy: -177.583
where: short stacking energy: -100.551
Base-Backbone interact. energy: -0.098
local terms energy: -104.410994
where:
bonds (distance) C4'-P energy: -19.903
bonds (distance) P-C4' energy: -20.070
flat angles C4'-P-C4' energy: -24.344
flat angles P-C4'-P energy: -12.762
tors. eta vs tors. theta energy: -27.332
Dist. restrs. and SS energy: 2.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -236.184822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.184822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.554330 (E_RNA)
where:
Base-Base interactions energy: -142.768
where: short stacking energy: -66.239
Base-Backbone interact. energy: -0.068
local terms energy: -93.717771
where:
bonds (distance) C4'-P energy: -20.286
bonds (distance) P-C4' energy: -19.662
flat angles C4'-P-C4' energy: -21.738
flat angles P-C4'-P energy: -17.727
tors. eta vs tors. theta energy: -14.304
Dist. restrs. and SS energy: 0.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -219.692530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.692530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.692530 (E_RNA)
where:
Base-Base interactions energy: -137.138
where: short stacking energy: -65.614
Base-Backbone interact. energy: -0.737
local terms energy: -81.817563
where:
bonds (distance) C4'-P energy: -17.905
bonds (distance) P-C4' energy: -22.360
flat angles C4'-P-C4' energy: -19.286
flat angles P-C4'-P energy: -8.840
tors. eta vs tors. theta energy: -13.426
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -210.599734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.599734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.661162 (E_RNA)
where:
Base-Base interactions energy: -136.242
where: short stacking energy: -68.967
Base-Backbone interact. energy: 0.616
local terms energy: -75.035287
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -24.672
flat angles C4'-P-C4' energy: -12.528
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -13.067
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: 1
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -202.758143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.758143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.936620 (E_RNA)
where:
Base-Base interactions energy: -126.395
where: short stacking energy: -61.542
Base-Backbone interact. energy: -0.780
local terms energy: -75.761730
where:
bonds (distance) C4'-P energy: -9.561
bonds (distance) P-C4' energy: -23.400
flat angles C4'-P-C4' energy: -22.530
flat angles P-C4'-P energy: -14.314
tors. eta vs tors. theta energy: -5.957
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: 2
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -207.726873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.726873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.826786 (E_RNA)
where:
Base-Base interactions energy: -128.717
where: short stacking energy: -69.299
Base-Backbone interact. energy: 1.775
local terms energy: -80.884763
where:
bonds (distance) C4'-P energy: -23.371
bonds (distance) P-C4' energy: -17.426
flat angles C4'-P-C4' energy: -17.845
flat angles P-C4'-P energy: -6.647
tors. eta vs tors. theta energy: -15.596
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: 10, replica: 9
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -191.228060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.228060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.254398 (E_RNA)
where:
Base-Base interactions energy: -124.635
where: short stacking energy: -58.671
Base-Backbone interact. energy: -1.532
local terms energy: -65.086833
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -12.919
flat angles C4'-P-C4' energy: -19.748
flat angles P-C4'-P energy: -13.914
tors. eta vs tors. theta energy: -2.076
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: 8
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -317.858358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.858358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.118441 (E_RNA)
where:
Base-Base interactions energy: -204.359
where: short stacking energy: -111.203
Base-Backbone interact. energy: -0.006
local terms energy: -114.752841
where:
bonds (distance) C4'-P energy: -20.923
bonds (distance) P-C4' energy: -19.879
flat angles C4'-P-C4' energy: -22.299
flat angles P-C4'-P energy: -18.423
tors. eta vs tors. theta energy: -33.229
Dist. restrs. and SS energy: 1.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -285.983127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.983127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.014264 (E_RNA)
where:
Base-Base interactions energy: -177.903
where: short stacking energy: -90.312
Base-Backbone interact. energy: -0.478
local terms energy: -109.633490
where:
bonds (distance) C4'-P energy: -22.841
bonds (distance) P-C4' energy: -25.120
flat angles C4'-P-C4' energy: -19.826
flat angles P-C4'-P energy: -12.303
tors. eta vs tors. theta energy: -29.544
Dist. restrs. and SS energy: 2.031 (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: 10
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -272.384852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.384852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.472385 (E_RNA)
where:
Base-Base interactions energy: -167.830
where: short stacking energy: -94.402
Base-Backbone interact. energy: -2.100
local terms energy: -102.542339
where:
bonds (distance) C4'-P energy: -19.714
bonds (distance) P-C4' energy: -21.858
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -16.925
tors. eta vs tors. theta energy: -26.882
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: 121
Temperature: 1.050000
Total energy: -258.142491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.142491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.403066 (E_RNA)
where:
Base-Base interactions energy: -158.639
where: short stacking energy: -92.218
Base-Backbone interact. energy: -0.428
local terms energy: -99.336453
where:
bonds (distance) C4'-P energy: -18.464
bonds (distance) P-C4' energy: -16.697
flat angles C4'-P-C4' energy: -18.216
flat angles P-C4'-P energy: -16.950
tors. eta vs tors. theta energy: -29.009
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: 5, replica: 3
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -243.669392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.669392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.782693 (E_RNA)
where:
Base-Base interactions energy: -159.064
where: short stacking energy: -72.732
Base-Backbone interact. energy: 0.401
local terms energy: -85.119807
where:
bonds (distance) C4'-P energy: -19.601
bonds (distance) P-C4' energy: -22.690
flat angles C4'-P-C4' energy: -18.325
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -14.207
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -235.593795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.593795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.647467 (E_RNA)
where:
Base-Base interactions energy: -152.564
where: short stacking energy: -79.700
Base-Backbone interact. energy: 0.204
local terms energy: -83.287769
where:
bonds (distance) C4'-P energy: -16.241
bonds (distance) P-C4' energy: -16.531
flat angles C4'-P-C4' energy: -17.902
flat angles P-C4'-P energy: -12.993
tors. eta vs tors. theta energy: -19.620
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -233.868968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.868968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.357556 (E_RNA)
where:
Base-Base interactions energy: -137.327
where: short stacking energy: -61.346
Base-Backbone interact. energy: -0.104
local terms energy: -96.927152
where:
bonds (distance) C4'-P energy: -20.770
bonds (distance) P-C4' energy: -22.938
flat angles C4'-P-C4' energy: -22.387
flat angles P-C4'-P energy: -12.806
tors. eta vs tors. theta energy: -18.026
Dist. restrs. and SS energy: 0.489 (S_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: 121
Temperature: 1.250000
Total energy: -215.324955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.324955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.545003 (E_RNA)
where:
Base-Base interactions energy: -124.204
where: short stacking energy: -64.218
Base-Backbone interact. energy: -0.743
local terms energy: -90.598048
where:
bonds (distance) C4'-P energy: -22.451
bonds (distance) P-C4' energy: -21.665
flat angles C4'-P-C4' energy: -19.365
flat angles P-C4'-P energy: -10.347
tors. eta vs tors. theta energy: -16.770
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: 9, replica: 1
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -201.333600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.333600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.531834 (E_RNA)
where:
Base-Base interactions energy: -121.830
where: short stacking energy: -54.269
Base-Backbone interact. energy: -1.645
local terms energy: -78.056879
where:
bonds (distance) C4'-P energy: -20.495
bonds (distance) P-C4' energy: -20.743
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -14.556
tors. eta vs tors. theta energy: -4.683
Dist. restrs. and SS energy: 0.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -190.736590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.736590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.528555 (E_RNA)
where:
Base-Base interactions energy: -112.771
where: short stacking energy: -51.543
Base-Backbone interact. energy: -0.323
local terms energy: -78.435230
where:
bonds (distance) C4'-P energy: -19.934
bonds (distance) P-C4' energy: -21.128
flat angles C4'-P-C4' energy: -17.469
flat angles P-C4'-P energy: -11.902
tors. eta vs tors. theta energy: -8.003
Dist. restrs. and SS energy: 0.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -310.573325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.573325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.567701 (E_RNA)
where:
Base-Base interactions energy: -197.229
where: short stacking energy: -106.017
Base-Backbone interact. energy: -0.152
local terms energy: -115.186953
where:
bonds (distance) C4'-P energy: -22.596
bonds (distance) P-C4' energy: -19.239
flat angles C4'-P-C4' energy: -22.470
flat angles P-C4'-P energy: -16.397
tors. eta vs tors. theta energy: -34.485
Dist. restrs. and SS energy: 1.994 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -265.545043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.545043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.601179 (E_RNA)
where:
Base-Base interactions energy: -167.691
where: short stacking energy: -75.025
Base-Backbone interact. energy: -0.308
local terms energy: -97.601982
where:
bonds (distance) C4'-P energy: -17.486
bonds (distance) P-C4' energy: -23.363
flat angles C4'-P-C4' energy: -23.557
flat angles P-C4'-P energy: -12.604
tors. eta vs tors. theta energy: -20.592
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: 10
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -263.503388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.503388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.512113 (E_RNA)
where:
Base-Base interactions energy: -156.134
where: short stacking energy: -88.515
Base-Backbone interact. energy: -0.186
local terms energy: -107.191408
where:
bonds (distance) C4'-P energy: -23.003
bonds (distance) P-C4' energy: -22.552
flat angles C4'-P-C4' energy: -23.848
flat angles P-C4'-P energy: -14.545
tors. eta vs tors. theta energy: -23.244
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: 5
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -252.758162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.758162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.758162 (E_RNA)
where:
Base-Base interactions energy: -149.904
where: short stacking energy: -81.915
Base-Backbone interact. energy: -0.142
local terms energy: -102.712011
where:
bonds (distance) C4'-P energy: -20.303
bonds (distance) P-C4' energy: -23.348
flat angles C4'-P-C4' energy: -20.697
flat angles P-C4'-P energy: -16.340
tors. eta vs tors. theta energy: -22.023
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -242.352303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.352303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.364420 (E_RNA)
where:
Base-Base interactions energy: -152.519
where: short stacking energy: -83.803
Base-Backbone interact. energy: -0.133
local terms energy: -89.712164
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -17.810
flat angles C4'-P-C4' energy: -26.397
flat angles P-C4'-P energy: -11.693
tors. eta vs tors. theta energy: -18.133
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -241.258577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.258577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.615376 (E_RNA)
where:
Base-Base interactions energy: -143.906
where: short stacking energy: -78.938
Base-Backbone interact. energy: -0.400
local terms energy: -97.309225
where:
bonds (distance) C4'-P energy: -23.800
bonds (distance) P-C4' energy: -22.126
flat angles C4'-P-C4' energy: -19.241
flat angles P-C4'-P energy: -14.126
tors. eta vs tors. theta energy: -18.016
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: 7, replica: 2
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -230.464579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.464579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.536920 (E_RNA)
where:
Base-Base interactions energy: -142.839
where: short stacking energy: -67.346
Base-Backbone interact. energy: -0.815
local terms energy: -86.882442
where:
bonds (distance) C4'-P energy: -18.248
bonds (distance) P-C4' energy: -20.310
flat angles C4'-P-C4' energy: -20.097
flat angles P-C4'-P energy: -12.989
tors. eta vs tors. theta energy: -15.239
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: 122
Temperature: 1.250000
Total energy: -224.271695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.271695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.362528 (E_RNA)
where:
Base-Base interactions energy: -137.918
where: short stacking energy: -69.411
Base-Backbone interact. energy: -1.231
local terms energy: -85.213408
where:
bonds (distance) C4'-P energy: -14.278
bonds (distance) P-C4' energy: -21.874
flat angles C4'-P-C4' energy: -22.050
flat angles P-C4'-P energy: -12.216
tors. eta vs tors. theta energy: -14.794
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: 9
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -200.458223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.458223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.261420 (E_RNA)
where:
Base-Base interactions energy: -127.364
where: short stacking energy: -60.360
Base-Backbone interact. energy: -0.716
local terms energy: -73.181998
where:
bonds (distance) C4'-P energy: -20.037
bonds (distance) P-C4' energy: -18.478
flat angles C4'-P-C4' energy: -10.840
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: -12.136
Dist. restrs. and SS energy: 0.803 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -204.025056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.025056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.177912 (E_RNA)
where:
Base-Base interactions energy: -127.167
where: short stacking energy: -64.064
Base-Backbone interact. energy: -0.177
local terms energy: -76.833371
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -19.306
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -17.284
Dist. restrs. and SS energy: 0.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -312.348062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.348062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.903551 (E_RNA)
where:
Base-Base interactions energy: -188.749
where: short stacking energy: -102.563
Base-Backbone interact. energy: -0.001
local terms energy: -124.153345
where:
bonds (distance) C4'-P energy: -21.519
bonds (distance) P-C4' energy: -24.177
flat angles C4'-P-C4' energy: -26.467
flat angles P-C4'-P energy: -18.492
tors. eta vs tors. theta energy: -33.499
Dist. restrs. and SS energy: 0.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -290.693640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.693640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.822602 (E_RNA)
where:
Base-Base interactions energy: -176.474
where: short stacking energy: -105.693
Base-Backbone interact. energy: 3.159
local terms energy: -117.506928
where:
bonds (distance) C4'-P energy: -21.338
bonds (distance) P-C4' energy: -21.053
flat angles C4'-P-C4' energy: -26.761
flat angles P-C4'-P energy: -17.840
tors. eta vs tors. theta energy: -30.515
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: 7
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -253.210764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.210764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.237251 (E_RNA)
where:
Base-Base interactions energy: -159.912
where: short stacking energy: -82.348
Base-Backbone interact. energy: -0.114
local terms energy: -93.211092
where:
bonds (distance) C4'-P energy: -23.015
bonds (distance) P-C4' energy: -21.728
flat angles C4'-P-C4' energy: -19.810
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -16.672
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: 5
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -270.876974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.876974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.079311 (E_RNA)
where:
Base-Base interactions energy: -160.349
where: short stacking energy: -88.236
Base-Backbone interact. energy: -0.113
local terms energy: -110.617468
where:
bonds (distance) C4'-P energy: -16.457
bonds (distance) P-C4' energy: -23.027
flat angles C4'-P-C4' energy: -23.895
flat angles P-C4'-P energy: -15.799
tors. eta vs tors. theta energy: -31.440
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: 3
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -249.022611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.022611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.653395 (E_RNA)
where:
Base-Base interactions energy: -150.966
where: short stacking energy: -80.549
Base-Backbone interact. energy: -0.222
local terms energy: -99.465145
where:
bonds (distance) C4'-P energy: -19.606
bonds (distance) P-C4' energy: -21.052
flat angles C4'-P-C4' energy: -25.372
flat angles P-C4'-P energy: -13.021
tors. eta vs tors. theta energy: -20.414
Dist. restrs. and SS energy: 1.631 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -224.517572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.517572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.586054 (E_RNA)
where:
Base-Base interactions energy: -144.249
where: short stacking energy: -76.125
Base-Backbone interact. energy: -0.484
local terms energy: -79.852773
where:
bonds (distance) C4'-P energy: -14.660
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -21.785
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -16.818
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: 2
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -223.977237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.977237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.038053 (E_RNA)
where:
Base-Base interactions energy: -130.776
where: short stacking energy: -64.858
Base-Backbone interact. energy: 0.256
local terms energy: -93.518921
where:
bonds (distance) C4'-P energy: -19.847
bonds (distance) P-C4' energy: -20.011
flat angles C4'-P-C4' energy: -23.635
flat angles P-C4'-P energy: -16.819
tors. eta vs tors. theta energy: -13.207
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: 9
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -224.038054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.038054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.040750 (E_RNA)
where:
Base-Base interactions energy: -142.480
where: short stacking energy: -79.072
Base-Backbone interact. energy: -0.151
local terms energy: -81.409105
where:
bonds (distance) C4'-P energy: -15.061
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -20.935
flat angles P-C4'-P energy: -13.362
tors. eta vs tors. theta energy: -16.745
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: 123
Temperature: 1.300000
Total energy: -208.363292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.363292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.495288 (E_RNA)
where:
Base-Base interactions energy: -127.925
where: short stacking energy: -72.498
Base-Backbone interact. energy: -0.116
local terms energy: -80.453704
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -21.766
flat angles C4'-P-C4' energy: -19.295
flat angles P-C4'-P energy: -5.802
tors. eta vs tors. theta energy: -17.158
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: 1
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -201.652503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.652503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.728770 (E_RNA)
where:
Base-Base interactions energy: -120.278
where: short stacking energy: -56.516
Base-Backbone interact. energy: -0.142
local terms energy: -81.308663
where:
bonds (distance) C4'-P energy: -17.247
bonds (distance) P-C4' energy: -20.922
flat angles C4'-P-C4' energy: -22.705
flat angles P-C4'-P energy: -14.977
tors. eta vs tors. theta energy: -5.457
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: 1, replica: 10
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -284.162724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.162724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.240170 (E_RNA)
where:
Base-Base interactions energy: -171.245
where: short stacking energy: -104.522
Base-Backbone interact. energy: -0.323
local terms energy: -112.671956
where:
bonds (distance) C4'-P energy: -21.762
bonds (distance) P-C4' energy: -23.157
flat angles C4'-P-C4' energy: -25.698
flat angles P-C4'-P energy: -15.499
tors. eta vs tors. theta energy: -26.556
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: 8
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -283.441346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.441346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.441346 (E_RNA)
where:
Base-Base interactions energy: -184.622
where: short stacking energy: -96.446
Base-Backbone interact. energy: -0.131
local terms energy: -98.688080
where:
bonds (distance) C4'-P energy: -19.815
bonds (distance) P-C4' energy: -19.651
flat angles C4'-P-C4' energy: -22.723
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -25.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -281.439807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.439807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.779823 (E_RNA)
where:
Base-Base interactions energy: -170.306
where: short stacking energy: -96.058
Base-Backbone interact. energy: -0.756
local terms energy: -110.718428
where:
bonds (distance) C4'-P energy: -21.693
bonds (distance) P-C4' energy: -18.307
flat angles C4'-P-C4' energy: -23.993
flat angles P-C4'-P energy: -19.232
tors. eta vs tors. theta energy: -27.493
Dist. restrs. and SS energy: 0.340 (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: 7
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -238.685913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.685913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.796338 (E_RNA)
where:
Base-Base interactions energy: -146.624
where: short stacking energy: -77.486
Base-Backbone interact. energy: -0.138
local terms energy: -92.033644
where:
bonds (distance) C4'-P energy: -19.815
bonds (distance) P-C4' energy: -18.367
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -19.473
tors. eta vs tors. theta energy: -17.497
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: 5, replica: 6
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -227.460899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.460899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.500926 (E_RNA)
where:
Base-Base interactions energy: -139.796
where: short stacking energy: -81.054
Base-Backbone interact. energy: -0.551
local terms energy: -87.154351
where:
bonds (distance) C4'-P energy: -11.687
bonds (distance) P-C4' energy: -23.461
flat angles C4'-P-C4' energy: -17.979
flat angles P-C4'-P energy: -14.357
tors. eta vs tors. theta energy: -19.671
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: 3
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -242.326070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.326070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.499646 (E_RNA)
where:
Base-Base interactions energy: -137.618
where: short stacking energy: -73.726
Base-Backbone interact. energy: -0.614
local terms energy: -104.267481
where:
bonds (distance) C4'-P energy: -24.907
bonds (distance) P-C4' energy: -24.254
flat angles C4'-P-C4' energy: -20.040
flat angles P-C4'-P energy: -16.542
tors. eta vs tors. theta energy: -18.524
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -218.971287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.971287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.040296 (E_RNA)
where:
Base-Base interactions energy: -131.161
where: short stacking energy: -68.983
Base-Backbone interact. energy: 1.637
local terms energy: -89.516339
where:
bonds (distance) C4'-P energy: -18.861
bonds (distance) P-C4' energy: -22.752
flat angles C4'-P-C4' energy: -21.389
flat angles P-C4'-P energy: -16.557
tors. eta vs tors. theta energy: -9.957
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -222.611586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.611586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.637055 (E_RNA)
where:
Base-Base interactions energy: -132.885
where: short stacking energy: -66.588
Base-Backbone interact. energy: -0.581
local terms energy: -89.170579
where:
bonds (distance) C4'-P energy: -19.441
bonds (distance) P-C4' energy: -17.748
flat angles C4'-P-C4' energy: -21.907
flat angles P-C4'-P energy: -14.338
tors. eta vs tors. theta energy: -15.736
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: 1
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -215.131343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.131343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.481357 (E_RNA)
where:
Base-Base interactions energy: -124.465
where: short stacking energy: -63.611
Base-Backbone interact. energy: -0.104
local terms energy: -90.912134
where:
bonds (distance) C4'-P energy: -20.350
bonds (distance) P-C4' energy: -23.568
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -19.108
Dist. restrs. and SS energy: 0.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -198.378038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.378038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.384846 (E_RNA)
where:
Base-Base interactions energy: -120.862
where: short stacking energy: -55.475
Base-Backbone interact. energy: -0.153
local terms energy: -77.370191
where:
bonds (distance) C4'-P energy: -17.579
bonds (distance) P-C4' energy: -20.622
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -12.361
tors. eta vs tors. theta energy: -13.419
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: 125
Temperature: 0.900000
Total energy: -279.107698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.107698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.107698 (E_RNA)
where:
Base-Base interactions energy: -170.068
where: short stacking energy: -101.647
Base-Backbone interact. energy: -0.123
local terms energy: -108.917292
where:
bonds (distance) C4'-P energy: -20.651
bonds (distance) P-C4' energy: -19.570
flat angles C4'-P-C4' energy: -25.051
flat angles P-C4'-P energy: -15.370
tors. eta vs tors. theta energy: -28.275
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: 5
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -290.451557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.451557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.970387 (E_RNA)
where:
Base-Base interactions energy: -184.933
where: short stacking energy: -91.135
Base-Backbone interact. energy: -0.082
local terms energy: -105.955097
where:
bonds (distance) C4'-P energy: -21.462
bonds (distance) P-C4' energy: -21.298
flat angles C4'-P-C4' energy: -16.922
flat angles P-C4'-P energy: -17.516
tors. eta vs tors. theta energy: -28.758
Dist. restrs. and SS energy: 0.519 (S_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: 125
Temperature: 1.000000
Total energy: -271.799693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.799693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.919600 (E_RNA)
where:
Base-Base interactions energy: -170.140
where: short stacking energy: -91.432
Base-Backbone interact. energy: -0.282
local terms energy: -101.498212
where:
bonds (distance) C4'-P energy: -20.010
bonds (distance) P-C4' energy: -22.233
flat angles C4'-P-C4' energy: -23.298
flat angles P-C4'-P energy: -12.736
tors. eta vs tors. theta energy: -23.221
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: 7
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -244.531371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.531371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.837091 (E_RNA)
where:
Base-Base interactions energy: -147.380
where: short stacking energy: -78.076
Base-Backbone interact. energy: 0.135
local terms energy: -97.591709
where:
bonds (distance) C4'-P energy: -18.903
bonds (distance) P-C4' energy: -23.895
flat angles C4'-P-C4' energy: -20.111
flat angles P-C4'-P energy: -13.258
tors. eta vs tors. theta energy: -21.424
Dist. restrs. and SS energy: 0.306 (S_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: 125
Temperature: 1.100000
Total energy: -229.506612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.506612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.506973 (E_RNA)
where:
Base-Base interactions energy: -136.831
where: short stacking energy: -64.791
Base-Backbone interact. energy: -0.293
local terms energy: -92.382143
where:
bonds (distance) C4'-P energy: -23.259
bonds (distance) P-C4' energy: -23.133
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -16.194
tors. eta vs tors. theta energy: -13.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -230.089694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.089694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.292891 (E_RNA)
where:
Base-Base interactions energy: -135.546
where: short stacking energy: -69.742
Base-Backbone interact. energy: -0.173
local terms energy: -94.573840
where:
bonds (distance) C4'-P energy: -19.255
bonds (distance) P-C4' energy: -19.421
flat angles C4'-P-C4' energy: -24.817
flat angles P-C4'-P energy: -13.279
tors. eta vs tors. theta energy: -17.802
Dist. restrs. and SS energy: 0.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -216.095173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.095173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.277676 (E_RNA)
where:
Base-Base interactions energy: -123.723
where: short stacking energy: -67.065
Base-Backbone interact. energy: -0.452
local terms energy: -92.103369
where:
bonds (distance) C4'-P energy: -21.412
bonds (distance) P-C4' energy: -23.741
flat angles C4'-P-C4' energy: -22.207
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -13.859
Dist. restrs. and SS energy: 0.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -212.540239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.540239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.624906 (E_RNA)
where:
Base-Base interactions energy: -143.903
where: short stacking energy: -79.044
Base-Backbone interact. energy: 0.279
local terms energy: -69.001308
where:
bonds (distance) C4'-P energy: -11.135
bonds (distance) P-C4' energy: -16.722
flat angles C4'-P-C4' energy: -19.059
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -11.198
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -204.233208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.233208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.553209 (E_RNA)
where:
Base-Base interactions energy: -121.166
where: short stacking energy: -63.138
Base-Backbone interact. energy: -0.247
local terms energy: -83.139797
where:
bonds (distance) C4'-P energy: -21.178
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -17.528
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -20.659
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: 4
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -184.867578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.867578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.110598 (E_RNA)
where:
Base-Base interactions energy: -119.792
where: short stacking energy: -61.256
Base-Backbone interact. energy: -1.125
local terms energy: -64.194240
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -25.089
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -1.750
tors. eta vs tors. theta energy: -8.390
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: 1, replica: 5
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -287.654657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.654657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.528788 (E_RNA)
where:
Base-Base interactions energy: -176.352
where: short stacking energy: -89.583
Base-Backbone interact. energy: -0.157
local terms energy: -113.019737
where:
bonds (distance) C4'-P energy: -25.026
bonds (distance) P-C4' energy: -19.504
flat angles C4'-P-C4' energy: -22.542
flat angles P-C4'-P energy: -19.072
tors. eta vs tors. theta energy: -26.875
Dist. restrs. and SS energy: 1.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -285.078803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.078803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.522500 (E_RNA)
where:
Base-Base interactions energy: -171.654
where: short stacking energy: -95.771
Base-Backbone interact. energy: -0.062
local terms energy: -113.807481
where:
bonds (distance) C4'-P energy: -24.498
bonds (distance) P-C4' energy: -24.430
flat angles C4'-P-C4' energy: -24.893
flat angles P-C4'-P energy: -15.077
tors. eta vs tors. theta energy: -24.910
Dist. restrs. and SS energy: 0.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -270.061713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.061713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.398883 (E_RNA)
where:
Base-Base interactions energy: -161.973
where: short stacking energy: -90.983
Base-Backbone interact. energy: -0.126
local terms energy: -108.299028
where:
bonds (distance) C4'-P energy: -25.336
bonds (distance) P-C4' energy: -20.214
flat angles C4'-P-C4' energy: -24.921
flat angles P-C4'-P energy: -13.855
tors. eta vs tors. theta energy: -23.973
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: 4, replica: 7
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -270.262437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.262437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.285115 (E_RNA)
where:
Base-Base interactions energy: -166.379
where: short stacking energy: -84.646
Base-Backbone interact. energy: -0.008
local terms energy: -103.897751
where:
bonds (distance) C4'-P energy: -24.405
bonds (distance) P-C4' energy: -21.096
flat angles C4'-P-C4' energy: -20.570
flat angles P-C4'-P energy: -12.874
tors. eta vs tors. theta energy: -24.954
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -228.592439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.592439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.592439 (E_RNA)
where:
Base-Base interactions energy: -143.178
where: short stacking energy: -77.073
Base-Backbone interact. energy: -0.211
local terms energy: -85.203158
where:
bonds (distance) C4'-P energy: -18.651
bonds (distance) P-C4' energy: -18.828
flat angles C4'-P-C4' energy: -21.984
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -13.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -232.752328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.752328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.175496 (E_RNA)
where:
Base-Base interactions energy: -133.085
where: short stacking energy: -75.834
Base-Backbone interact. energy: 0.466
local terms energy: -100.556378
where:
bonds (distance) C4'-P energy: -18.054
bonds (distance) P-C4' energy: -23.049
flat angles C4'-P-C4' energy: -21.367
flat angles P-C4'-P energy: -16.809
tors. eta vs tors. theta energy: -21.277
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: 7, replica: 1
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -222.253614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.253614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.333044 (E_RNA)
where:
Base-Base interactions energy: -141.884
where: short stacking energy: -75.908
Base-Backbone interact. energy: 1.180
local terms energy: -81.628862
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -16.619
flat angles C4'-P-C4' energy: -21.828
flat angles P-C4'-P energy: -12.282
tors. eta vs tors. theta energy: -15.229
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -213.047699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.047699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.169627 (E_RNA)
where:
Base-Base interactions energy: -129.012
where: short stacking energy: -70.534
Base-Backbone interact. energy: -0.283
local terms energy: -83.875223
where:
bonds (distance) C4'-P energy: -17.934
bonds (distance) P-C4' energy: -18.415
flat angles C4'-P-C4' energy: -20.523
flat angles P-C4'-P energy: -15.881
tors. eta vs tors. theta energy: -11.121
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -184.706973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.706973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.732471 (E_RNA)
where:
Base-Base interactions energy: -109.834
where: short stacking energy: -50.743
Base-Backbone interact. energy: -0.604
local terms energy: -74.294619
where:
bonds (distance) C4'-P energy: -22.542
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -19.156
flat angles P-C4'-P energy: -15.880
tors. eta vs tors. theta energy: -2.046
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: 2
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -208.712438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.712438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.823094 (E_RNA)
where:
Base-Base interactions energy: -130.948
where: short stacking energy: -67.892
Base-Backbone interact. energy: 0.370
local terms energy: -78.244372
where:
bonds (distance) C4'-P energy: -12.627
bonds (distance) P-C4' energy: -17.794
flat angles C4'-P-C4' energy: -18.029
flat angles P-C4'-P energy: -15.315
tors. eta vs tors. theta energy: -14.480
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -277.947266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.947266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.354696 (E_RNA)
where:
Base-Base interactions energy: -171.927
where: short stacking energy: -94.154
Base-Backbone interact. energy: -0.256
local terms energy: -107.171764
where:
bonds (distance) C4'-P energy: -21.171
bonds (distance) P-C4' energy: -19.967
flat angles C4'-P-C4' energy: -24.322
flat angles P-C4'-P energy: -17.043
tors. eta vs tors. theta energy: -24.668
Dist. restrs. and SS energy: 1.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -284.913326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.913326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.352445 (E_RNA)
where:
Base-Base interactions energy: -175.345
where: short stacking energy: -91.786
Base-Backbone interact. energy: -0.024
local terms energy: -109.982950
where:
bonds (distance) C4'-P energy: -19.512
bonds (distance) P-C4' energy: -23.314
flat angles C4'-P-C4' energy: -21.323
flat angles P-C4'-P energy: -18.157
tors. eta vs tors. theta energy: -27.676
Dist. restrs. and SS energy: 0.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -273.478646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.478646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.643058 (E_RNA)
where:
Base-Base interactions energy: -164.390
where: short stacking energy: -103.511
Base-Backbone interact. energy: -0.230
local terms energy: -109.023260
where:
bonds (distance) C4'-P energy: -20.902
bonds (distance) P-C4' energy: -21.359
flat angles C4'-P-C4' energy: -21.928
flat angles P-C4'-P energy: -17.737
tors. eta vs tors. theta energy: -27.096
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: 127
Temperature: 1.050000
Total energy: -247.628012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.628012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.833192 (E_RNA)
where:
Base-Base interactions energy: -148.225
where: short stacking energy: -78.362
Base-Backbone interact. energy: -0.044
local terms energy: -99.563328
where:
bonds (distance) C4'-P energy: -20.891
bonds (distance) P-C4' energy: -23.547
flat angles C4'-P-C4' energy: -25.588
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: -17.226
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: 5, replica: 3
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -240.680987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.680987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.747824 (E_RNA)
where:
Base-Base interactions energy: -148.471
where: short stacking energy: -84.617
Base-Backbone interact. energy: -0.462
local terms energy: -91.815641
where:
bonds (distance) C4'-P energy: -20.129
bonds (distance) P-C4' energy: -18.531
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -14.531
tors. eta vs tors. theta energy: -24.516
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -229.061171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.061171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.155921 (E_RNA)
where:
Base-Base interactions energy: -136.306
where: short stacking energy: -76.667
Base-Backbone interact. energy: -0.261
local terms energy: -92.588354
where:
bonds (distance) C4'-P energy: -17.577
bonds (distance) P-C4' energy: -21.492
flat angles C4'-P-C4' energy: -26.181
flat angles P-C4'-P energy: -13.329
tors. eta vs tors. theta energy: -14.010
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: 1
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -229.569825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.569825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.721148 (E_RNA)
where:
Base-Base interactions energy: -134.422
where: short stacking energy: -78.087
Base-Backbone interact. energy: -0.460
local terms energy: -94.839283
where:
bonds (distance) C4'-P energy: -20.000
bonds (distance) P-C4' energy: -25.205
flat angles C4'-P-C4' energy: -20.550
flat angles P-C4'-P energy: -13.648
tors. eta vs tors. theta energy: -15.437
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: 8, replica: 4
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -205.213335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.213335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.889072 (E_RNA)
where:
Base-Base interactions energy: -125.835
where: short stacking energy: -51.842
Base-Backbone interact. energy: 0.079
local terms energy: -82.132732
where:
bonds (distance) C4'-P energy: -18.079
bonds (distance) P-C4' energy: -24.502
flat angles C4'-P-C4' energy: -19.548
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -8.569
Dist. restrs. and SS energy: 2.676 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -214.218930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.218930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.272226 (E_RNA)
where:
Base-Base interactions energy: -136.325
where: short stacking energy: -75.595
Base-Backbone interact. energy: -0.080
local terms energy: -77.866986
where:
bonds (distance) C4'-P energy: -22.251
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -18.849
flat angles P-C4'-P energy: -4.102
tors. eta vs tors. theta energy: -17.086
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: 2
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -212.120722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.120722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.284846 (E_RNA)
where:
Base-Base interactions energy: -134.491
where: short stacking energy: -68.806
Base-Backbone interact. energy: -0.252
local terms energy: -77.541697
where:
bonds (distance) C4'-P energy: -18.109
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -20.193
flat angles P-C4'-P energy: -17.474
tors. eta vs tors. theta energy: -9.675
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: 1, replica: 10
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -303.084908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.084908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.954851 (E_RNA)
where:
Base-Base interactions energy: -188.075
where: short stacking energy: -102.964
Base-Backbone interact. energy: -0.094
local terms energy: -116.785683
where:
bonds (distance) C4'-P energy: -23.382
bonds (distance) P-C4' energy: -23.812
flat angles C4'-P-C4' energy: -19.707
flat angles P-C4'-P energy: -19.558
tors. eta vs tors. theta energy: -30.327
Dist. restrs. and SS energy: 1.870 (S_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: 128
Temperature: 0.950000
Total energy: -292.153174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.153174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.690177 (E_RNA)
where:
Base-Base interactions energy: -180.654
where: short stacking energy: -106.721
Base-Backbone interact. energy: -0.808
local terms energy: -112.227976
where:
bonds (distance) C4'-P energy: -20.574
bonds (distance) P-C4' energy: -24.071
flat angles C4'-P-C4' energy: -22.895
flat angles P-C4'-P energy: -15.687
tors. eta vs tors. theta energy: -29.000
Dist. restrs. and SS energy: 1.537 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -279.559173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.559173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.812588 (E_RNA)
where:
Base-Base interactions energy: -166.718
where: short stacking energy: -90.633
Base-Backbone interact. energy: 0.872
local terms energy: -113.966570
where:
bonds (distance) C4'-P energy: -20.317
bonds (distance) P-C4' energy: -23.321
flat angles C4'-P-C4' energy: -25.121
flat angles P-C4'-P energy: -17.144
tors. eta vs tors. theta energy: -28.063
Dist. restrs. and SS energy: 0.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -267.785724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.785724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.104449 (E_RNA)
where:
Base-Base interactions energy: -168.882
where: short stacking energy: -99.833
Base-Backbone interact. energy: -0.019
local terms energy: -99.202760
where:
bonds (distance) C4'-P energy: -16.951
bonds (distance) P-C4' energy: -19.062
flat angles C4'-P-C4' energy: -21.146
flat angles P-C4'-P energy: -13.107
tors. eta vs tors. theta energy: -28.937
Dist. restrs. and SS energy: 0.319 (S_DIST_RNA)
chem. 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: -235.428084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.428084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.488349 (E_RNA)
where:
Base-Base interactions energy: -145.908
where: short stacking energy: -78.055
Base-Backbone interact. energy: -0.886
local terms energy: -88.693715
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -21.742
flat angles C4'-P-C4' energy: -17.614
flat angles P-C4'-P energy: -14.752
tors. eta vs tors. theta energy: -19.159
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: 6
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -236.043442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.043442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.050116 (E_RNA)
where:
Base-Base interactions energy: -144.859
where: short stacking energy: -70.745
Base-Backbone interact. energy: -0.636
local terms energy: -90.555489
where:
bonds (distance) C4'-P energy: -22.291
bonds (distance) P-C4' energy: -16.204
flat angles C4'-P-C4' energy: -24.221
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -16.453
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: 128
Temperature: 1.200000
Total energy: -221.886236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.886236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.960977 (E_RNA)
where:
Base-Base interactions energy: -136.405
where: short stacking energy: -75.255
Base-Backbone interact. energy: -0.453
local terms energy: -85.103004
where:
bonds (distance) C4'-P energy: -18.576
bonds (distance) P-C4' energy: -18.287
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -15.070
tors. eta vs tors. theta energy: -16.532
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: 1
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -210.317355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.317355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.331384 (E_RNA)
where:
Base-Base interactions energy: -133.105
where: short stacking energy: -66.060
Base-Backbone interact. energy: 1.325
local terms energy: -78.551087
where:
bonds (distance) C4'-P energy: -17.578
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -17.165
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -17.550
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: 9
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -203.947759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.947759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.451752 (E_RNA)
where:
Base-Base interactions energy: -126.304
where: short stacking energy: -67.234
Base-Backbone interact. energy: -0.212
local terms energy: -77.935967
where:
bonds (distance) C4'-P energy: -20.638
bonds (distance) P-C4' energy: -16.366
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: -15.763
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: 10, replica: 2
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -214.878691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.878691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.207377 (E_RNA)
where:
Base-Base interactions energy: -147.585
where: short stacking energy: -72.282
Base-Backbone interact. energy: -0.299
local terms energy: -69.323804
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -15.674
Dist. restrs. and SS energy: 2.329 (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: 10
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -307.672116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.672116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.028967 (E_RNA)
where:
Base-Base interactions energy: -186.671
where: short stacking energy: -115.767
Base-Backbone interact. energy: -0.015
local terms energy: -121.343683
where:
bonds (distance) C4'-P energy: -23.507
bonds (distance) P-C4' energy: -24.460
flat angles C4'-P-C4' energy: -26.413
flat angles P-C4'-P energy: -13.765
tors. eta vs tors. theta energy: -33.199
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: 2, replica: 8
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -305.536132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.536132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.432034 (E_RNA)
where:
Base-Base interactions energy: -194.306
where: short stacking energy: -109.315
Base-Backbone interact. energy: -0.021
local terms energy: -113.104820
where:
bonds (distance) C4'-P energy: -20.457
bonds (distance) P-C4' energy: -19.194
flat angles C4'-P-C4' energy: -23.431
flat angles P-C4'-P energy: -14.863
tors. eta vs tors. theta energy: -35.161
Dist. restrs. and SS energy: 1.896 (S_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: 129
Temperature: 1.000000
Total energy: -266.558531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.558531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.999867 (E_RNA)
where:
Base-Base interactions energy: -163.410
where: short stacking energy: -88.889
Base-Backbone interact. energy: -0.030
local terms energy: -105.559116
where:
bonds (distance) C4'-P energy: -20.584
bonds (distance) P-C4' energy: -25.239
flat angles C4'-P-C4' energy: -23.067
flat angles P-C4'-P energy: -13.185
tors. eta vs tors. theta energy: -23.483
Dist. restrs. and SS energy: 2.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -262.751093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.751093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.874152 (E_RNA)
where:
Base-Base interactions energy: -164.907
where: short stacking energy: -93.341
Base-Backbone interact. energy: -0.181
local terms energy: -97.786248
where:
bonds (distance) C4'-P energy: -19.204
bonds (distance) P-C4' energy: -22.475
flat angles C4'-P-C4' energy: -18.606
flat angles P-C4'-P energy: -17.250
tors. eta vs tors. theta energy: -20.251
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: 3
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -239.101092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.101092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.230156 (E_RNA)
where:
Base-Base interactions energy: -151.822
where: short stacking energy: -78.379
Base-Backbone interact. energy: -0.293
local terms energy: -87.115399
where:
bonds (distance) C4'-P energy: -16.544
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -22.026
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -18.122
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: 6
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -234.011458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.011458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.037022 (E_RNA)
where:
Base-Base interactions energy: -137.897
where: short stacking energy: -68.647
Base-Backbone interact. energy: -0.152
local terms energy: -95.988835
where:
bonds (distance) C4'-P energy: -24.484
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -22.622
flat angles P-C4'-P energy: -19.422
tors. eta vs tors. theta energy: -14.290
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: 4
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -237.846343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.846343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.302250 (E_RNA)
where:
Base-Base interactions energy: -144.274
where: short stacking energy: -72.989
Base-Backbone interact. energy: -0.215
local terms energy: -94.813068
where:
bonds (distance) C4'-P energy: -18.708
bonds (distance) P-C4' energy: -16.779
flat angles C4'-P-C4' energy: -24.557
flat angles P-C4'-P energy: -13.980
tors. eta vs tors. theta energy: -20.788
Dist. restrs. and SS energy: 1.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -224.165797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.165797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.236879 (E_RNA)
where:
Base-Base interactions energy: -137.464
where: short stacking energy: -75.019
Base-Backbone interact. energy: -0.223
local terms energy: -86.549816
where:
bonds (distance) C4'-P energy: -10.925
bonds (distance) P-C4' energy: -20.222
flat angles C4'-P-C4' energy: -22.966
flat angles P-C4'-P energy: -13.231
tors. eta vs tors. theta energy: -19.206
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: 1
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -211.208572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.208572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.330461 (E_RNA)
where:
Base-Base interactions energy: -119.951
where: short stacking energy: -60.273
Base-Backbone interact. energy: -0.105
local terms energy: -91.274946
where:
bonds (distance) C4'-P energy: -19.818
bonds (distance) P-C4' energy: -22.757
flat angles C4'-P-C4' energy: -19.259
flat angles P-C4'-P energy: -18.451
tors. eta vs tors. theta energy: -10.990
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: 129
Temperature: 1.350000
Total energy: -200.390554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.390554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.550855 (E_RNA)
where:
Base-Base interactions energy: -121.789
where: short stacking energy: -62.642
Base-Backbone interact. energy: -0.147
local terms energy: -78.614872
where:
bonds (distance) C4'-P energy: -12.118
bonds (distance) P-C4' energy: -16.453
flat angles C4'-P-C4' energy: -20.711
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -17.879
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: 1, replica: 8
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -302.637125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.637125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.767590 (E_RNA)
where:
Base-Base interactions energy: -187.483
where: short stacking energy: -117.331
Base-Backbone interact. energy: -0.006
local terms energy: -115.279188
where:
bonds (distance) C4'-P energy: -15.165
bonds (distance) P-C4' energy: -24.323
flat angles C4'-P-C4' energy: -24.649
flat angles P-C4'-P energy: -17.149
tors. eta vs tors. theta energy: -33.993
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: 10
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -288.685110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.685110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.802508 (E_RNA)
where:
Base-Base interactions energy: -177.341
where: short stacking energy: -102.102
Base-Backbone interact. energy: -0.065
local terms energy: -111.395901
where:
bonds (distance) C4'-P energy: -23.054
bonds (distance) P-C4' energy: -19.857
flat angles C4'-P-C4' energy: -27.345
flat angles P-C4'-P energy: -16.677
tors. eta vs tors. theta energy: -24.463
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: 3, replica: 7
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -258.720649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.720649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.877021 (E_RNA)
where:
Base-Base interactions energy: -159.846
where: short stacking energy: -81.433
Base-Backbone interact. energy: -0.253
local terms energy: -98.777558
where:
bonds (distance) C4'-P energy: -23.784
bonds (distance) P-C4' energy: -23.352
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -17.290
tors. eta vs tors. theta energy: -19.485
Dist. restrs. and SS energy: 0.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -253.294913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.294913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.530495 (E_RNA)
where:
Base-Base interactions energy: -149.290
where: short stacking energy: -87.915
Base-Backbone interact. energy: -0.149
local terms energy: -104.091645
where:
bonds (distance) C4'-P energy: -19.172
bonds (distance) P-C4' energy: -22.794
flat angles C4'-P-C4' energy: -23.159
flat angles P-C4'-P energy: -13.783
tors. eta vs tors. theta energy: -25.183
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: 5, replica: 6
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -265.768047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.768047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.768047 (E_RNA)
where:
Base-Base interactions energy: -160.359
where: short stacking energy: -94.695
Base-Backbone interact. energy: -0.095
local terms energy: -105.314117
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -25.328
flat angles C4'-P-C4' energy: -21.332
flat angles P-C4'-P energy: -15.894
tors. eta vs tors. theta energy: -27.393
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -239.498589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.498589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.863985 (E_RNA)
where:
Base-Base interactions energy: -133.283
where: short stacking energy: -69.382
Base-Backbone interact. energy: -0.442
local terms energy: -106.139453
where:
bonds (distance) C4'-P energy: -24.207
bonds (distance) P-C4' energy: -20.598
flat angles C4'-P-C4' energy: -25.756
flat angles P-C4'-P energy: -14.117
tors. eta vs tors. theta energy: -21.462
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: 7, replica: 9
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -223.140633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.140633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.218112 (E_RNA)
where:
Base-Base interactions energy: -135.223
where: short stacking energy: -71.027
Base-Backbone interact. energy: -0.231
local terms energy: -87.764366
where:
bonds (distance) C4'-P energy: -23.345
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -17.816
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -18.969
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -224.476353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.476353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.529161 (E_RNA)
where:
Base-Base interactions energy: -135.626
where: short stacking energy: -70.385
Base-Backbone interact. energy: -0.130
local terms energy: -88.773429
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -17.534
flat angles C4'-P-C4' energy: -26.475
flat angles P-C4'-P energy: -14.675
tors. eta vs tors. theta energy: -16.953
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: 2
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -207.437048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.437048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.584200 (E_RNA)
where:
Base-Base interactions energy: -122.312
where: short stacking energy: -66.323
Base-Backbone interact. energy: 1.632
local terms energy: -86.903963
where:
bonds (distance) C4'-P energy: -19.041
bonds (distance) P-C4' energy: -21.905
flat angles C4'-P-C4' energy: -19.354
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -15.029
Dist. restrs. and SS energy: 0.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -192.820001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.820001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.990751 (E_RNA)
where:
Base-Base interactions energy: -106.484
where: short stacking energy: -48.319
Base-Backbone interact. energy: -0.150
local terms energy: -86.356652
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -27.532
flat angles C4'-P-C4' energy: -15.789
flat angles P-C4'-P energy: -16.705
tors. eta vs tors. theta energy: -12.672
Dist. restrs. and SS energy: 0.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -307.147053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.147053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.156300 (E_RNA)
where:
Base-Base interactions energy: -189.289
where: short stacking energy: -115.004
Base-Backbone interact. energy: -0.012
local terms energy: -117.855499
where:
bonds (distance) C4'-P energy: -20.531
bonds (distance) P-C4' energy: -22.551
flat angles C4'-P-C4' energy: -24.784
flat angles P-C4'-P energy: -17.296
tors. eta vs tors. theta energy: -32.694
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -274.073529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.073529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.125907 (E_RNA)
where:
Base-Base interactions energy: -171.279
where: short stacking energy: -97.596
Base-Backbone interact. energy: 2.928
local terms energy: -105.774773
where:
bonds (distance) C4'-P energy: -21.452
bonds (distance) P-C4' energy: -21.250
flat angles C4'-P-C4' energy: -23.144
flat angles P-C4'-P energy: -15.414
tors. eta vs tors. theta energy: -24.515
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: 131
Temperature: 1.000000
Total energy: -288.603724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.603724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.603724 (E_RNA)
where:
Base-Base interactions energy: -172.909
where: short stacking energy: -105.820
Base-Backbone interact. energy: -0.009
local terms energy: -115.685636
where:
bonds (distance) C4'-P energy: -22.290
bonds (distance) P-C4' energy: -20.079
flat angles C4'-P-C4' energy: -27.514
flat angles P-C4'-P energy: -15.547
tors. eta vs tors. theta energy: -30.255
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -279.005590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.005590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.024412 (E_RNA)
where:
Base-Base interactions energy: -165.313
where: short stacking energy: -99.200
Base-Backbone interact. energy: -0.053
local terms energy: -113.659031
where:
bonds (distance) C4'-P energy: -19.483
bonds (distance) P-C4' energy: -25.538
flat angles C4'-P-C4' energy: -23.170
flat angles P-C4'-P energy: -13.226
tors. eta vs tors. theta energy: -32.242
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: 131
Temperature: 1.100000
Total energy: -261.381473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.381473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.394434 (E_RNA)
where:
Base-Base interactions energy: -154.388
where: short stacking energy: -86.874
Base-Backbone interact. energy: -0.330
local terms energy: -106.676007
where:
bonds (distance) C4'-P energy: -23.656
bonds (distance) P-C4' energy: -23.483
flat angles C4'-P-C4' energy: -22.318
flat angles P-C4'-P energy: -17.488
tors. eta vs tors. theta energy: -19.732
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -237.815436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.815436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.583082 (E_RNA)
where:
Base-Base interactions energy: -143.695
where: short stacking energy: -70.370
Base-Backbone interact. energy: -0.112
local terms energy: -95.776041
where:
bonds (distance) C4'-P energy: -21.939
bonds (distance) P-C4' energy: -25.589
flat angles C4'-P-C4' energy: -23.070
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -15.562
Dist. restrs. and SS energy: 1.768 (S_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: 131
Temperature: 1.200000
Total energy: -217.505995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.505995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.560022 (E_RNA)
where:
Base-Base interactions energy: -133.887
where: short stacking energy: -60.574
Base-Backbone interact. energy: 2.756
local terms energy: -86.429239
where:
bonds (distance) C4'-P energy: -21.403
bonds (distance) P-C4' energy: -21.673
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -14.626
tors. eta vs tors. theta energy: -11.605
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: 2
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -217.525329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.525329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.649893 (E_RNA)
where:
Base-Base interactions energy: -126.918
where: short stacking energy: -68.600
Base-Backbone interact. energy: -0.072
local terms energy: -90.659723
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -22.564
flat angles C4'-P-C4' energy: -21.136
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -20.008
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: 4
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -205.341212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.341212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.356498 (E_RNA)
where:
Base-Base interactions energy: -127.939
where: short stacking energy: -58.977
Base-Backbone interact. energy: -1.289
local terms energy: -76.128266
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -10.398
flat angles C4'-P-C4' energy: -20.897
flat angles P-C4'-P energy: -14.685
tors. eta vs tors. theta energy: -15.175
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: 1
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -180.669644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.669644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.806476 (E_RNA)
where:
Base-Base interactions energy: -110.402
where: short stacking energy: -44.694
Base-Backbone interact. energy: 0.330
local terms energy: -70.734906
where:
bonds (distance) C4'-P energy: -18.940
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -14.640
tors. eta vs tors. theta energy: -1.987
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -300.511844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.511844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.544973 (E_RNA)
where:
Base-Base interactions energy: -180.763
where: short stacking energy: -108.253
Base-Backbone interact. energy: -0.002
local terms energy: -121.779390
where:
bonds (distance) C4'-P energy: -24.334
bonds (distance) P-C4' energy: -20.022
flat angles C4'-P-C4' energy: -23.488
flat angles P-C4'-P energy: -17.920
tors. eta vs tors. theta energy: -36.014
Dist. restrs. and SS energy: 2.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -290.809558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.809558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.869749 (E_RNA)
where:
Base-Base interactions energy: -178.543
where: short stacking energy: -100.149
Base-Backbone interact. energy: -0.025
local terms energy: -112.302363
where:
bonds (distance) C4'-P energy: -21.798
bonds (distance) P-C4' energy: -17.690
flat angles C4'-P-C4' energy: -25.394
flat angles P-C4'-P energy: -17.683
tors. eta vs tors. theta energy: -29.737
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: 7
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -271.155454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.155454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.468802 (E_RNA)
where:
Base-Base interactions energy: -168.787
where: short stacking energy: -94.761
Base-Backbone interact. energy: -0.202
local terms energy: -102.480020
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -19.921
flat angles C4'-P-C4' energy: -23.875
flat angles P-C4'-P energy: -17.169
tors. eta vs tors. theta energy: -24.250
Dist. restrs. and SS energy: 0.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -274.303595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.303595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.313732 (E_RNA)
where:
Base-Base interactions energy: -177.485
where: short stacking energy: -102.304
Base-Backbone interact. energy: 0.043
local terms energy: -96.871168
where:
bonds (distance) C4'-P energy: -15.028
bonds (distance) P-C4' energy: -21.080
flat angles C4'-P-C4' energy: -20.042
flat angles P-C4'-P energy: -14.567
tors. eta vs tors. theta energy: -26.155
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: 5, replica: 5
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -270.248919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.248919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.321260 (E_RNA)
where:
Base-Base interactions energy: -162.243
where: short stacking energy: -92.384
Base-Backbone interact. energy: -0.143
local terms energy: -107.935406
where:
bonds (distance) C4'-P energy: -22.497
bonds (distance) P-C4' energy: -21.282
flat angles C4'-P-C4' energy: -21.342
flat angles P-C4'-P energy: -14.726
tors. eta vs tors. theta energy: -28.087
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: 9
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -224.194939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.194939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.671172 (E_RNA)
where:
Base-Base interactions energy: -139.878
where: short stacking energy: -66.891
Base-Backbone interact. energy: -0.337
local terms energy: -84.456069
where:
bonds (distance) C4'-P energy: -19.810
bonds (distance) P-C4' energy: -22.779
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -11.385
tors. eta vs tors. theta energy: -13.646
Dist. restrs. and SS energy: 0.476 (S_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: 132
Temperature: 1.200000
Total energy: -226.875470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.875470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.878246 (E_RNA)
where:
Base-Base interactions energy: -138.434
where: short stacking energy: -69.387
Base-Backbone interact. energy: -0.686
local terms energy: -87.758391
where:
bonds (distance) C4'-P energy: -17.706
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -17.779
flat angles P-C4'-P energy: -17.157
tors. eta vs tors. theta energy: -16.638
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: 3
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -207.922892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.922892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.125798 (E_RNA)
where:
Base-Base interactions energy: -135.933
where: short stacking energy: -67.832
Base-Backbone interact. energy: 2.130
local terms energy: -74.323398
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -19.644
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: -12.249
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: 9, replica: 1
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -222.655290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.655290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.819359 (E_RNA)
where:
Base-Base interactions energy: -136.403
where: short stacking energy: -69.540
Base-Backbone interact. energy: -0.135
local terms energy: -86.281615
where:
bonds (distance) C4'-P energy: -19.187
bonds (distance) P-C4' energy: -16.229
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: -22.482
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -205.863781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.863781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.303801 (E_RNA)
where:
Base-Base interactions energy: -138.316
where: short stacking energy: -59.037
Base-Backbone interact. energy: -0.755
local terms energy: -67.232166
where:
bonds (distance) C4'-P energy: -11.179
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -18.281
flat angles P-C4'-P energy: -14.032
tors. eta vs tors. theta energy: -7.155
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: 8
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -280.141937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.141937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.548074 (E_RNA)
where:
Base-Base interactions energy: -169.919
where: short stacking energy: -97.863
Base-Backbone interact. energy: -0.144
local terms energy: -110.485726
where:
bonds (distance) C4'-P energy: -25.114
bonds (distance) P-C4' energy: -21.313
flat angles C4'-P-C4' energy: -18.400
flat angles P-C4'-P energy: -19.679
tors. eta vs tors. theta energy: -25.979
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: 2, replica: 10
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -284.015510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.015510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.145810 (E_RNA)
where:
Base-Base interactions energy: -185.173
where: short stacking energy: -100.575
Base-Backbone interact. energy: -0.299
local terms energy: -98.674345
where:
bonds (distance) C4'-P energy: -22.505
bonds (distance) P-C4' energy: -22.098
flat angles C4'-P-C4' energy: -20.873
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -21.457
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: 7
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -266.606439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.606439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.618441 (E_RNA)
where:
Base-Base interactions energy: -162.674
where: short stacking energy: -87.147
Base-Backbone interact. energy: -0.009
local terms energy: -103.935664
where:
bonds (distance) C4'-P energy: -21.006
bonds (distance) P-C4' energy: -20.320
flat angles C4'-P-C4' energy: -22.676
flat angles P-C4'-P energy: -13.108
tors. eta vs tors. theta energy: -26.825
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: 133
Temperature: 1.050000
Total energy: -275.811235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.811235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.812537 (E_RNA)
where:
Base-Base interactions energy: -166.725
where: short stacking energy: -100.700
Base-Backbone interact. energy: -0.993
local terms energy: -108.094752
where:
bonds (distance) C4'-P energy: -18.755
bonds (distance) P-C4' energy: -22.090
flat angles C4'-P-C4' energy: -24.215
flat angles P-C4'-P energy: -14.317
tors. eta vs tors. theta energy: -28.718
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: 5
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -238.139275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.139275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.169161 (E_RNA)
where:
Base-Base interactions energy: -142.969
where: short stacking energy: -83.109
Base-Backbone interact. energy: -0.374
local terms energy: -94.826179
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -21.250
flat angles C4'-P-C4' energy: -24.251
flat angles P-C4'-P energy: -13.850
tors. eta vs tors. theta energy: -21.077
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: 2
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -260.537836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.537836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.948632 (E_RNA)
where:
Base-Base interactions energy: -160.697
where: short stacking energy: -89.464
Base-Backbone interact. energy: 0.752
local terms energy: -102.004433
where:
bonds (distance) C4'-P energy: -23.962
bonds (distance) P-C4' energy: -19.664
flat angles C4'-P-C4' energy: -23.334
flat angles P-C4'-P energy: -15.209
tors. eta vs tors. theta energy: -19.835
Dist. restrs. and SS energy: 1.411 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -226.168823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.168823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.190972 (E_RNA)
where:
Base-Base interactions energy: -134.908
where: short stacking energy: -72.044
Base-Backbone interact. energy: -0.067
local terms energy: -91.216669
where:
bonds (distance) C4'-P energy: -19.225
bonds (distance) P-C4' energy: -20.423
flat angles C4'-P-C4' energy: -18.265
flat angles P-C4'-P energy: -14.419
tors. eta vs tors. theta energy: -18.885
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -208.175745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.175745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.349021 (E_RNA)
where:
Base-Base interactions energy: -127.459
where: short stacking energy: -64.407
Base-Backbone interact. energy: -0.162
local terms energy: -80.728722
where:
bonds (distance) C4'-P energy: -23.080
bonds (distance) P-C4' energy: -18.719
flat angles C4'-P-C4' energy: -17.209
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -11.348
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: 9, replica: 3
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -198.095717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.095717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.150523 (E_RNA)
where:
Base-Base interactions energy: -118.861
where: short stacking energy: -64.078
Base-Backbone interact. energy: -0.276
local terms energy: -79.013411
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -20.650
flat angles C4'-P-C4' energy: -17.453
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -12.348
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -218.688229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.688229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.791121 (E_RNA)
where:
Base-Base interactions energy: -137.098
where: short stacking energy: -71.723
Base-Backbone interact. energy: -0.091
local terms energy: -81.602844
where:
bonds (distance) C4'-P energy: -21.323
bonds (distance) P-C4' energy: -17.718
flat angles C4'-P-C4' energy: -17.334
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -16.399
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: 1, replica: 10
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -295.545315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.545315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.998408 (E_RNA)
where:
Base-Base interactions energy: -185.528
where: short stacking energy: -101.313
Base-Backbone interact. energy: -0.069
local terms energy: -110.401435
where:
bonds (distance) C4'-P energy: -22.617
bonds (distance) P-C4' energy: -20.687
flat angles C4'-P-C4' energy: -25.243
flat angles P-C4'-P energy: -17.646
tors. eta vs tors. theta energy: -24.208
Dist. restrs. and SS energy: 0.453 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -283.479648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.479648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.451833 (E_RNA)
where:
Base-Base interactions energy: -170.515
where: short stacking energy: -92.948
Base-Backbone interact. energy: -0.059
local terms energy: -114.877474
where:
bonds (distance) C4'-P energy: -22.932
bonds (distance) P-C4' energy: -22.729
flat angles C4'-P-C4' energy: -23.575
flat angles P-C4'-P energy: -16.376
tors. eta vs tors. theta energy: -29.266
Dist. restrs. and SS energy: 1.972 (S_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: 134
Temperature: 1.000000
Total energy: -283.840619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.840619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.840619 (E_RNA)
where:
Base-Base interactions energy: -174.314
where: short stacking energy: -95.793
Base-Backbone interact. energy: -0.253
local terms energy: -109.273674
where:
bonds (distance) C4'-P energy: -18.797
bonds (distance) P-C4' energy: -21.073
flat angles C4'-P-C4' energy: -23.334
flat angles P-C4'-P energy: -18.292
tors. eta vs tors. theta energy: -27.778
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -284.256548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.256548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.431742 (E_RNA)
where:
Base-Base interactions energy: -177.483
where: short stacking energy: -101.894
Base-Backbone interact. energy: -0.000
local terms energy: -106.948180
where:
bonds (distance) C4'-P energy: -17.461
bonds (distance) P-C4' energy: -20.258
flat angles C4'-P-C4' energy: -24.078
flat angles P-C4'-P energy: -13.544
tors. eta vs tors. theta energy: -31.607
Dist. restrs. and SS energy: 0.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -260.852657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.852657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.663032 (E_RNA)
where:
Base-Base interactions energy: -154.617
where: short stacking energy: -86.798
Base-Backbone interact. energy: -0.157
local terms energy: -107.889406
where:
bonds (distance) C4'-P energy: -20.410
bonds (distance) P-C4' energy: -23.927
flat angles C4'-P-C4' energy: -19.231
flat angles P-C4'-P energy: -17.734
tors. eta vs tors. theta energy: -26.588
Dist. restrs. and SS energy: 1.810 (S_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: 134
Temperature: 1.150000
Total energy: -223.178684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.178684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.420296 (E_RNA)
where:
Base-Base interactions energy: -125.421
where: short stacking energy: -70.801
Base-Backbone interact. energy: -0.033
local terms energy: -97.966642
where:
bonds (distance) C4'-P energy: -20.410
bonds (distance) P-C4' energy: -22.260
flat angles C4'-P-C4' energy: -22.733
flat angles P-C4'-P energy: -12.570
tors. eta vs tors. theta energy: -19.993
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: 7, replica: 1
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -248.381362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.381362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.437805 (E_RNA)
where:
Base-Base interactions energy: -148.471
where: short stacking energy: -78.828
Base-Backbone interact. energy: -0.305
local terms energy: -99.661715
where:
bonds (distance) C4'-P energy: -19.300
bonds (distance) P-C4' energy: -24.166
flat angles C4'-P-C4' energy: -23.523
flat angles P-C4'-P energy: -15.871
tors. eta vs tors. theta energy: -16.802
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: 9
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -220.705879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.705879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.060793 (E_RNA)
where:
Base-Base interactions energy: -137.049
where: short stacking energy: -71.151
Base-Backbone interact. energy: -0.069
local terms energy: -83.943046
where:
bonds (distance) C4'-P energy: -20.239
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -17.530
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -17.592
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: 4
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -210.675317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.675317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.875691 (E_RNA)
where:
Base-Base interactions energy: -133.004
where: short stacking energy: -63.813
Base-Backbone interact. energy: -1.032
local terms energy: -76.840073
where:
bonds (distance) C4'-P energy: -18.668
bonds (distance) P-C4' energy: -21.527
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -10.626
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: 10, replica: 3
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -207.415719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.415719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.685240 (E_RNA)
where:
Base-Base interactions energy: -131.715
where: short stacking energy: -61.981
Base-Backbone interact. energy: 0.307
local terms energy: -76.277389
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -20.237
flat angles C4'-P-C4' energy: -17.070
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -13.436
Dist. restrs. and SS energy: 0.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -305.116775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.116775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.973728 (E_RNA)
where:
Base-Base interactions energy: -194.718
where: short stacking energy: -98.348
Base-Backbone interact. energy: -0.018
local terms energy: -111.237825
where:
bonds (distance) C4'-P energy: -22.613
bonds (distance) P-C4' energy: -24.125
flat angles C4'-P-C4' energy: -19.268
flat angles P-C4'-P energy: -18.181
tors. eta vs tors. theta energy: -27.051
Dist. restrs. and SS energy: 0.857 (S_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: 135
Temperature: 0.950000
Total energy: -284.468727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.468727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.472146 (E_RNA)
where:
Base-Base interactions energy: -175.622
where: short stacking energy: -105.539
Base-Backbone interact. energy: -0.029
local terms energy: -108.821092
where:
bonds (distance) C4'-P energy: -19.782
bonds (distance) P-C4' energy: -18.962
flat angles C4'-P-C4' energy: -23.064
flat angles P-C4'-P energy: -20.916
tors. eta vs tors. theta energy: -26.097
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: 3, replica: 6
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -267.259442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.259442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.576546 (E_RNA)
where:
Base-Base interactions energy: -158.405
where: short stacking energy: -87.018
Base-Backbone interact. energy: -0.686
local terms energy: -109.485927
where:
bonds (distance) C4'-P energy: -19.322
bonds (distance) P-C4' energy: -26.174
flat angles C4'-P-C4' energy: -23.419
flat angles P-C4'-P energy: -15.359
tors. eta vs tors. theta energy: -25.212
Dist. restrs. and SS energy: 1.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -275.399863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.399863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.459881 (E_RNA)
where:
Base-Base interactions energy: -161.457
where: short stacking energy: -90.577
Base-Backbone interact. energy: -0.012
local terms energy: -113.990409
where:
bonds (distance) C4'-P energy: -21.743
bonds (distance) P-C4' energy: -19.598
flat angles C4'-P-C4' energy: -24.064
flat angles P-C4'-P energy: -17.830
tors. eta vs tors. theta energy: -30.754
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: 2
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -254.403248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.403248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.673190 (E_RNA)
where:
Base-Base interactions energy: -158.052
where: short stacking energy: -90.648
Base-Backbone interact. energy: -0.416
local terms energy: -96.205933
where:
bonds (distance) C4'-P energy: -19.852
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -23.290
flat angles P-C4'-P energy: -15.278
tors. eta vs tors. theta energy: -20.943
Dist. restrs. and SS energy: 0.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -231.194388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.194388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.517456 (E_RNA)
where:
Base-Base interactions energy: -139.257
where: short stacking energy: -62.978
Base-Backbone interact. energy: -1.190
local terms energy: -91.070928
where:
bonds (distance) C4'-P energy: -18.150
bonds (distance) P-C4' energy: -24.565
flat angles C4'-P-C4' energy: -20.687
flat angles P-C4'-P energy: -15.940
tors. eta vs tors. theta energy: -11.729
Dist. restrs. and SS energy: 0.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -239.709817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.709817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.830657 (E_RNA)
where:
Base-Base interactions energy: -148.055
where: short stacking energy: -77.840
Base-Backbone interact. energy: -0.140
local terms energy: -91.635945
where:
bonds (distance) C4'-P energy: -23.440
bonds (distance) P-C4' energy: -11.292
flat angles C4'-P-C4' energy: -19.726
flat angles P-C4'-P energy: -11.703
tors. eta vs tors. theta energy: -25.475
Dist. restrs. and SS energy: 0.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -223.041028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.041028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.719689 (E_RNA)
where:
Base-Base interactions energy: -149.737
where: short stacking energy: -72.396
Base-Backbone interact. energy: -0.760
local terms energy: -73.222839
where:
bonds (distance) C4'-P energy: -20.038
bonds (distance) P-C4' energy: -11.911
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -14.245
tors. eta vs tors. theta energy: -12.698
Dist. restrs. and SS energy: 0.679 (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: 9
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -233.275056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.275056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.465269 (E_RNA)
where:
Base-Base interactions energy: -139.364
where: short stacking energy: -71.025
Base-Backbone interact. energy: 1.902
local terms energy: -96.003079
where:
bonds (distance) C4'-P energy: -19.596
bonds (distance) P-C4' energy: -22.875
flat angles C4'-P-C4' energy: -23.275
flat angles P-C4'-P energy: -14.468
tors. eta vs tors. theta energy: -15.790
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: 3
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -194.094522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.094522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.158000 (E_RNA)
where:
Base-Base interactions energy: -117.545
where: short stacking energy: -46.876
Base-Backbone interact. energy: 1.192
local terms energy: -77.805120
where:
bonds (distance) C4'-P energy: -23.615
bonds (distance) P-C4' energy: -20.617
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -13.522
tors. eta vs tors. theta energy: -4.521
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: 8
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -284.624418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.624418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.651665 (E_RNA)
where:
Base-Base interactions energy: -167.822
where: short stacking energy: -100.340
Base-Backbone interact. energy: -0.000
local terms energy: -116.828808
where:
bonds (distance) C4'-P energy: -21.773
bonds (distance) P-C4' energy: -24.874
flat angles C4'-P-C4' energy: -25.684
flat angles P-C4'-P energy: -17.251
tors. eta vs tors. theta energy: -27.247
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -289.097282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.097282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.715053 (E_RNA)
where:
Base-Base interactions energy: -174.307
where: short stacking energy: -101.356
Base-Backbone interact. energy: 0.141
local terms energy: -117.548473
where:
bonds (distance) C4'-P energy: -22.004
bonds (distance) P-C4' energy: -24.536
flat angles C4'-P-C4' energy: -23.143
flat angles P-C4'-P energy: -18.793
tors. eta vs tors. theta energy: -29.073
Dist. restrs. and SS energy: 2.618 (S_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: 136
Temperature: 1.000000
Total energy: -291.993924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.993924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.845280 (E_RNA)
where:
Base-Base interactions energy: -176.254
where: short stacking energy: -102.817
Base-Backbone interact. energy: 0.125
local terms energy: -116.715701
where:
bonds (distance) C4'-P energy: -21.601
bonds (distance) P-C4' energy: -20.010
flat angles C4'-P-C4' energy: -25.209
flat angles P-C4'-P energy: -17.358
tors. eta vs tors. theta energy: -32.537
Dist. restrs. and SS energy: 0.851 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -261.323736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.323736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.385435 (E_RNA)
where:
Base-Base interactions energy: -160.582
where: short stacking energy: -79.151
Base-Backbone interact. energy: 1.502
local terms energy: -102.305197
where:
bonds (distance) C4'-P energy: -18.849
bonds (distance) P-C4' energy: -24.116
flat angles C4'-P-C4' energy: -19.520
flat angles P-C4'-P energy: -21.036
tors. eta vs tors. theta energy: -18.785
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: 2
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -232.735089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.735089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.735089 (E_RNA)
where:
Base-Base interactions energy: -139.128
where: short stacking energy: -68.495
Base-Backbone interact. energy: -0.023
local terms energy: -93.583841
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -19.825
flat angles C4'-P-C4' energy: -21.247
flat angles P-C4'-P energy: -16.808
tors. eta vs tors. theta energy: -18.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -248.588488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.588488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.912992 (E_RNA)
where:
Base-Base interactions energy: -151.373
where: short stacking energy: -83.007
Base-Backbone interact. energy: 1.294
local terms energy: -98.834011
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -23.532
flat angles C4'-P-C4' energy: -21.093
flat angles P-C4'-P energy: -17.816
tors. eta vs tors. theta energy: -22.341
Dist. restrs. and SS energy: 0.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -227.542207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.542207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.582658 (E_RNA)
where:
Base-Base interactions energy: -132.955
where: short stacking energy: -61.513
Base-Backbone interact. energy: -0.432
local terms energy: -94.196207
where:
bonds (distance) C4'-P energy: -20.893
bonds (distance) P-C4' energy: -21.691
flat angles C4'-P-C4' energy: -17.193
flat angles P-C4'-P energy: -18.228
tors. eta vs tors. theta energy: -16.190
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: 5
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -210.706650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.706650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.706650 (E_RNA)
where:
Base-Base interactions energy: -133.728
where: short stacking energy: -65.408
Base-Backbone interact. energy: -0.530
local terms energy: -76.448105
where:
bonds (distance) C4'-P energy: -20.672
bonds (distance) P-C4' energy: -18.338
flat angles C4'-P-C4' energy: -18.453
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -9.358
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -218.983832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.983832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.292196 (E_RNA)
where:
Base-Base interactions energy: -130.663
where: short stacking energy: -66.783
Base-Backbone interact. energy: 1.888
local terms energy: -90.517749
where:
bonds (distance) C4'-P energy: -13.396
bonds (distance) P-C4' energy: -24.057
flat angles C4'-P-C4' energy: -18.678
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: -21.676
Dist. restrs. and SS energy: 0.308 (S_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: 136
Temperature: 1.350000
Total energy: -204.636383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.636383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.746251 (E_RNA)
where:
Base-Base interactions energy: -124.967
where: short stacking energy: -54.994
Base-Backbone interact. energy: -0.246
local terms energy: -79.532584
where:
bonds (distance) C4'-P energy: -21.432
bonds (distance) P-C4' energy: -20.389
flat angles C4'-P-C4' energy: -18.315
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -8.906
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: 1, replica: 8
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -283.977463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.977463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.095475 (E_RNA)
where:
Base-Base interactions energy: -167.558
where: short stacking energy: -98.247
Base-Backbone interact. energy: -0.212
local terms energy: -117.325489
where:
bonds (distance) C4'-P energy: -19.711
bonds (distance) P-C4' energy: -19.181
flat angles C4'-P-C4' energy: -27.206
flat angles P-C4'-P energy: -20.885
tors. eta vs tors. theta energy: -30.342
Dist. restrs. and SS energy: 1.118 (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: 137
Temperature: 0.950000
Total energy: -302.107873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.107873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.107873 (E_RNA)
where:
Base-Base interactions energy: -194.614
where: short stacking energy: -116.857
Base-Backbone interact. energy: -0.041
local terms energy: -107.453012
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -21.081
flat angles C4'-P-C4' energy: -23.297
flat angles P-C4'-P energy: -14.214
tors. eta vs tors. theta energy: -31.806
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -292.433102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.433102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.495103 (E_RNA)
where:
Base-Base interactions energy: -186.092
where: short stacking energy: -99.301
Base-Backbone interact. energy: -0.060
local terms energy: -106.343063
where:
bonds (distance) C4'-P energy: -20.390
bonds (distance) P-C4' energy: -17.947
flat angles C4'-P-C4' energy: -24.640
flat angles P-C4'-P energy: -14.385
tors. eta vs tors. theta energy: -28.982
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: 2
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -257.434009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.434009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.447007 (E_RNA)
where:
Base-Base interactions energy: -146.954
where: short stacking energy: -81.154
Base-Backbone interact. energy: -0.018
local terms energy: -110.475171
where:
bonds (distance) C4'-P energy: -21.424
bonds (distance) P-C4' energy: -18.715
flat angles C4'-P-C4' energy: -27.843
flat angles P-C4'-P energy: -15.589
tors. eta vs tors. theta energy: -26.904
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: 137
Temperature: 1.100000
Total energy: -255.070769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.070769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.671040 (E_RNA)
where:
Base-Base interactions energy: -154.829
where: short stacking energy: -83.986
Base-Backbone interact. energy: -0.373
local terms energy: -100.469598
where:
bonds (distance) C4'-P energy: -23.027
bonds (distance) P-C4' energy: -21.071
flat angles C4'-P-C4' energy: -23.954
flat angles P-C4'-P energy: -13.337
tors. eta vs tors. theta energy: -19.081
Dist. restrs. and SS energy: 0.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -235.820887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.820887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.369841 (E_RNA)
where:
Base-Base interactions energy: -148.834
where: short stacking energy: -80.087
Base-Backbone interact. energy: -0.095
local terms energy: -88.440504
where:
bonds (distance) C4'-P energy: -18.066
bonds (distance) P-C4' energy: -18.534
flat angles C4'-P-C4' energy: -21.519
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -18.481
Dist. restrs. and SS energy: 1.549 (S_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: 137
Temperature: 1.200000
Total energy: -228.102230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.102230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.157333 (E_RNA)
where:
Base-Base interactions energy: -137.426
where: short stacking energy: -77.274
Base-Backbone interact. energy: -0.146
local terms energy: -90.584994
where:
bonds (distance) C4'-P energy: -19.352
bonds (distance) P-C4' energy: -19.922
flat angles C4'-P-C4' energy: -22.615
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -18.191
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: 3
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -215.218296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.218296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.263572 (E_RNA)
where:
Base-Base interactions energy: -119.792
where: short stacking energy: -61.516
Base-Backbone interact. energy: 0.782
local terms energy: -96.253806
where:
bonds (distance) C4'-P energy: -19.905
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -23.361
flat angles P-C4'-P energy: -23.224
tors. eta vs tors. theta energy: -16.714
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: 137
Temperature: 1.300000
Total energy: -203.753313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.753313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.791729 (E_RNA)
where:
Base-Base interactions energy: -121.933
where: short stacking energy: -55.458
Base-Backbone interact. energy: -0.764
local terms energy: -81.094634
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -17.095
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -17.678
tors. eta vs tors. theta energy: -13.766
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: 9
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -202.605972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.605972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.628811 (E_RNA)
where:
Base-Base interactions energy: -120.748
where: short stacking energy: -50.576
Base-Backbone interact. energy: -0.737
local terms energy: -81.143861
where:
bonds (distance) C4'-P energy: -19.316
bonds (distance) P-C4' energy: -24.977
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -13.474
tors. eta vs tors. theta energy: -7.745
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -299.988269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.988269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.030976 (E_RNA)
where:
Base-Base interactions energy: -185.857
where: short stacking energy: -107.663
Base-Backbone interact. energy: -0.135
local terms energy: -114.039489
where:
bonds (distance) C4'-P energy: -18.552
bonds (distance) P-C4' energy: -25.102
flat angles C4'-P-C4' energy: -25.197
flat angles P-C4'-P energy: -15.669
tors. eta vs tors. theta energy: -29.519
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: 8
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -276.828694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.828694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.912314 (E_RNA)
where:
Base-Base interactions energy: -169.268
where: short stacking energy: -97.925
Base-Backbone interact. energy: -0.239
local terms energy: -107.404736
where:
bonds (distance) C4'-P energy: -19.542
bonds (distance) P-C4' energy: -17.745
flat angles C4'-P-C4' energy: -21.044
flat angles P-C4'-P energy: -19.800
tors. eta vs tors. theta energy: -29.274
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: 138
Temperature: 1.000000
Total energy: -300.023910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.023910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.041051 (E_RNA)
where:
Base-Base interactions energy: -188.476
where: short stacking energy: -103.529
Base-Backbone interact. energy: -0.015
local terms energy: -111.549998
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -22.608
flat angles C4'-P-C4' energy: -21.505
flat angles P-C4'-P energy: -17.860
tors. eta vs tors. theta energy: -33.091
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: 2
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -261.918406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.918406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.942287 (E_RNA)
where:
Base-Base interactions energy: -159.028
where: short stacking energy: -93.423
Base-Backbone interact. energy: -0.002
local terms energy: -102.911922
where:
bonds (distance) C4'-P energy: -18.052
bonds (distance) P-C4' energy: -20.684
flat angles C4'-P-C4' energy: -19.988
flat angles P-C4'-P energy: -13.357
tors. eta vs tors. theta energy: -30.831
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: 7
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -252.122800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.122800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.168079 (E_RNA)
where:
Base-Base interactions energy: -153.502
where: short stacking energy: -81.761
Base-Backbone interact. energy: -0.099
local terms energy: -98.567537
where:
bonds (distance) C4'-P energy: -22.835
bonds (distance) P-C4' energy: -20.005
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -14.529
tors. eta vs tors. theta energy: -25.694
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -259.278462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.278462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.287775 (E_RNA)
where:
Base-Base interactions energy: -160.437
where: short stacking energy: -85.152
Base-Backbone interact. energy: -0.105
local terms energy: -98.745752
where:
bonds (distance) C4'-P energy: -18.610
bonds (distance) P-C4' energy: -19.428
flat angles C4'-P-C4' energy: -23.137
flat angles P-C4'-P energy: -14.153
tors. eta vs tors. theta energy: -23.418
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: 138
Temperature: 1.200000
Total energy: -226.295744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.295744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.997988 (E_RNA)
where:
Base-Base interactions energy: -134.045
where: short stacking energy: -67.259
Base-Backbone interact. energy: -0.125
local terms energy: -93.827645
where:
bonds (distance) C4'-P energy: -20.614
bonds (distance) P-C4' energy: -21.081
flat angles C4'-P-C4' energy: -20.396
flat angles P-C4'-P energy: -11.404
tors. eta vs tors. theta energy: -20.333
Dist. restrs. and SS energy: 1.702 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -224.020003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.020003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.824237 (E_RNA)
where:
Base-Base interactions energy: -124.135
where: short stacking energy: -65.296
Base-Backbone interact. energy: -0.121
local terms energy: -100.567616
where:
bonds (distance) C4'-P energy: -20.443
bonds (distance) P-C4' energy: -22.374
flat angles C4'-P-C4' energy: -23.485
flat angles P-C4'-P energy: -19.211
tors. eta vs tors. theta energy: -15.055
Dist. restrs. and SS energy: 0.804 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -208.879708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.879708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.182044 (E_RNA)
where:
Base-Base interactions energy: -127.294
where: short stacking energy: -62.239
Base-Backbone interact. energy: 0.721
local terms energy: -82.608952
where:
bonds (distance) C4'-P energy: -17.451
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -24.942
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -13.787
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: 10, replica: 5
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -193.945311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.945311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.314331 (E_RNA)
where:
Base-Base interactions energy: -112.282
where: short stacking energy: -54.350
Base-Backbone interact. energy: -0.354
local terms energy: -81.678858
where:
bonds (distance) C4'-P energy: -21.397
bonds (distance) P-C4' energy: -21.532
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -12.494
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: 1, replica: 6
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -292.801102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.801102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.909217 (E_RNA)
where:
Base-Base interactions energy: -177.511
where: short stacking energy: -104.367
Base-Backbone interact. energy: -0.176
local terms energy: -115.221980
where:
bonds (distance) C4'-P energy: -21.396
bonds (distance) P-C4' energy: -24.547
flat angles C4'-P-C4' energy: -24.995
flat angles P-C4'-P energy: -16.339
tors. eta vs tors. theta energy: -27.944
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: 10
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -307.150137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.150137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.623404 (E_RNA)
where:
Base-Base interactions energy: -182.592
where: short stacking energy: -105.637
Base-Backbone interact. energy: -0.002
local terms energy: -126.029446
where:
bonds (distance) C4'-P energy: -21.900
bonds (distance) P-C4' energy: -25.036
flat angles C4'-P-C4' energy: -26.087
flat angles P-C4'-P energy: -19.960
tors. eta vs tors. theta energy: -33.046
Dist. restrs. and SS energy: 1.473 (S_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: 139
Temperature: 1.000000
Total energy: -280.903413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.903413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.903413 (E_RNA)
where:
Base-Base interactions energy: -169.447
where: short stacking energy: -101.793
Base-Backbone interact. energy: -0.296
local terms energy: -111.159855
where:
bonds (distance) C4'-P energy: -17.078
bonds (distance) P-C4' energy: -21.947
flat angles C4'-P-C4' energy: -23.194
flat angles P-C4'-P energy: -18.661
tors. eta vs tors. theta energy: -30.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -291.941192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.941192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.005942 (E_RNA)
where:
Base-Base interactions energy: -179.284
where: short stacking energy: -105.476
Base-Backbone interact. energy: -0.622
local terms energy: -112.099968
where:
bonds (distance) C4'-P energy: -18.950
bonds (distance) P-C4' energy: -20.694
flat angles C4'-P-C4' energy: -25.872
flat angles P-C4'-P energy: -15.280
tors. eta vs tors. theta energy: -31.303
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: 7
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -262.870187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.870187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.870187 (E_RNA)
where:
Base-Base interactions energy: -154.626
where: short stacking energy: -88.395
Base-Backbone interact. energy: -0.070
local terms energy: -108.173614
where:
bonds (distance) C4'-P energy: -16.546
bonds (distance) P-C4' energy: -21.062
flat angles C4'-P-C4' energy: -23.714
flat angles P-C4'-P energy: -14.947
tors. eta vs tors. theta energy: -31.904
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -241.469884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.469884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.537657 (E_RNA)
where:
Base-Base interactions energy: -142.826
where: short stacking energy: -78.692
Base-Backbone interact. energy: -0.275
local terms energy: -98.437544
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -23.395
flat angles C4'-P-C4' energy: -21.636
flat angles P-C4'-P energy: -17.426
tors. eta vs tors. theta energy: -22.127
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: 3
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -242.031666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.031666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.874848 (E_RNA)
where:
Base-Base interactions energy: -143.362
where: short stacking energy: -70.820
Base-Backbone interact. energy: -0.176
local terms energy: -99.337407
where:
bonds (distance) C4'-P energy: -25.408
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -23.533
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -22.412
Dist. restrs. and SS energy: 0.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -221.263888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.263888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.263888 (E_RNA)
where:
Base-Base interactions energy: -122.107
where: short stacking energy: -55.550
Base-Backbone interact. energy: -0.076
local terms energy: -99.081424
where:
bonds (distance) C4'-P energy: -24.811
bonds (distance) P-C4' energy: -23.964
flat angles C4'-P-C4' energy: -23.111
flat angles P-C4'-P energy: -15.656
tors. eta vs tors. theta energy: -11.540
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -210.164029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.164029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.196239 (E_RNA)
where:
Base-Base interactions energy: -131.233
where: short stacking energy: -63.234
Base-Backbone interact. energy: -0.540
local terms energy: -78.423150
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -21.302
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -12.015
tors. eta vs tors. theta energy: -16.137
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: 139
Temperature: 1.350000
Total energy: -187.776519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.776519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.881625 (E_RNA)
where:
Base-Base interactions energy: -112.974
where: short stacking energy: -56.499
Base-Backbone interact. energy: 0.658
local terms energy: -75.564995
where:
bonds (distance) C4'-P energy: -20.575
bonds (distance) P-C4' energy: -18.507
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -12.827
tors. eta vs tors. theta energy: -7.235
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -290.317357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.317357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.456071 (E_RNA)
where:
Base-Base interactions energy: -168.637
where: short stacking energy: -98.505
Base-Backbone interact. energy: -0.297
local terms energy: -121.521734
where:
bonds (distance) C4'-P energy: -21.280
bonds (distance) P-C4' energy: -25.248
flat angles C4'-P-C4' energy: -24.566
flat angles P-C4'-P energy: -18.218
tors. eta vs tors. theta energy: -32.210
Dist. restrs. and SS energy: 0.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -290.801953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.801953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.872175 (E_RNA)
where:
Base-Base interactions energy: -176.377
where: short stacking energy: -106.377
Base-Backbone interact. energy: -0.074
local terms energy: -114.420266
where:
bonds (distance) C4'-P energy: -20.382
bonds (distance) P-C4' energy: -24.095
flat angles C4'-P-C4' energy: -20.930
flat angles P-C4'-P energy: -17.860
tors. eta vs tors. theta energy: -31.153
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: 140
Temperature: 1.000000
Total energy: -258.052121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.052121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.143381 (E_RNA)
where:
Base-Base interactions energy: -155.691
where: short stacking energy: -92.231
Base-Backbone interact. energy: -0.041
local terms energy: -102.411849
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -24.160
flat angles C4'-P-C4' energy: -24.624
flat angles P-C4'-P energy: -15.786
tors. eta vs tors. theta energy: -24.237
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: 2
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -258.784629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.784629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.787966 (E_RNA)
where:
Base-Base interactions energy: -157.047
where: short stacking energy: -88.186
Base-Backbone interact. energy: -0.564
local terms energy: -101.177025
where:
bonds (distance) C4'-P energy: -19.714
bonds (distance) P-C4' energy: -22.989
flat angles C4'-P-C4' energy: -23.581
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: -22.621
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: 4
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -255.982960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.982960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.109475 (E_RNA)
where:
Base-Base interactions energy: -161.006
where: short stacking energy: -88.656
Base-Backbone interact. energy: -0.320
local terms energy: -94.783107
where:
bonds (distance) C4'-P energy: -12.391
bonds (distance) P-C4' energy: -19.806
flat angles C4'-P-C4' energy: -22.193
flat angles P-C4'-P energy: -15.609
tors. eta vs tors. theta energy: -24.783
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: 7
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -237.105257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.105257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.234779 (E_RNA)
where:
Base-Base interactions energy: -141.897
where: short stacking energy: -69.330
Base-Backbone interact. energy: 0.095
local terms energy: -96.433177
where:
bonds (distance) C4'-P energy: -19.471
bonds (distance) P-C4' energy: -22.220
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -17.767
tors. eta vs tors. theta energy: -21.171
Dist. restrs. and SS energy: 1.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -217.452783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.452783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.503292 (E_RNA)
where:
Base-Base interactions energy: -136.285
where: short stacking energy: -66.644
Base-Backbone interact. energy: 2.452
local terms energy: -83.669926
where:
bonds (distance) C4'-P energy: -17.999
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -16.255
tors. eta vs tors. theta energy: -18.777
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: 3
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -216.282190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.282190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.576543 (E_RNA)
where:
Base-Base interactions energy: -135.658
where: short stacking energy: -71.739
Base-Backbone interact. energy: -0.121
local terms energy: -80.797362
where:
bonds (distance) C4'-P energy: -21.607
bonds (distance) P-C4' energy: -13.193
flat angles C4'-P-C4' energy: -17.729
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -16.610
Dist. restrs. and SS energy: 0.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -200.918364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.918364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.529145 (E_RNA)
where:
Base-Base interactions energy: -121.276
where: short stacking energy: -69.605
Base-Backbone interact. energy: -0.438
local terms energy: -79.814996
where:
bonds (distance) C4'-P energy: -16.212
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -22.488
flat angles P-C4'-P energy: -14.781
tors. eta vs tors. theta energy: -12.119
Dist. restrs. and SS energy: 0.611 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -200.220437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.220437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.329777 (E_RNA)
where:
Base-Base interactions energy: -117.324
where: short stacking energy: -55.015
Base-Backbone interact. energy: -0.337
local terms energy: -82.669099
where:
bonds (distance) C4'-P energy: -21.041
bonds (distance) P-C4' energy: -21.988
flat angles C4'-P-C4' energy: -20.111
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -11.364
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: 10
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -293.744892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.744892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.744892 (E_RNA)
where:
Base-Base interactions energy: -179.891
where: short stacking energy: -112.648
Base-Backbone interact. energy: -0.005
local terms energy: -113.848365
where:
bonds (distance) C4'-P energy: -22.980
bonds (distance) P-C4' energy: -19.483
flat angles C4'-P-C4' energy: -27.169
flat angles P-C4'-P energy: -15.435
tors. eta vs tors. theta energy: -28.781
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -282.604151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.604151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.634293 (E_RNA)
where:
Base-Base interactions energy: -171.870
where: short stacking energy: -97.257
Base-Backbone interact. energy: -0.064
local terms energy: -110.699594
where:
bonds (distance) C4'-P energy: -19.986
bonds (distance) P-C4' energy: -24.099
flat angles C4'-P-C4' energy: -22.134
flat angles P-C4'-P energy: -17.675
tors. eta vs tors. theta energy: -26.805
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: 6
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -252.543756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.543756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.592934 (E_RNA)
where:
Base-Base interactions energy: -146.362
where: short stacking energy: -83.975
Base-Backbone interact. energy: 0.793
local terms energy: -107.024345
where:
bonds (distance) C4'-P energy: -21.091
bonds (distance) P-C4' energy: -19.842
flat angles C4'-P-C4' energy: -27.640
flat angles P-C4'-P energy: -15.711
tors. eta vs tors. theta energy: -22.740
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: 2
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -253.376146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.376146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.419586 (E_RNA)
where:
Base-Base interactions energy: -148.284
where: short stacking energy: -81.617
Base-Backbone interact. energy: 0.038
local terms energy: -105.174046
where:
bonds (distance) C4'-P energy: -22.634
bonds (distance) P-C4' energy: -19.328
flat angles C4'-P-C4' energy: -21.786
flat angles P-C4'-P energy: -16.993
tors. eta vs tors. theta energy: -24.433
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: 4
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -223.012448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.012448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.044259 (E_RNA)
where:
Base-Base interactions energy: -134.042
where: short stacking energy: -62.357
Base-Backbone interact. energy: 0.458
local terms energy: -91.459739
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -20.054
flat angles C4'-P-C4' energy: -21.366
flat angles P-C4'-P energy: -17.415
tors. eta vs tors. theta energy: -16.765
Dist. restrs. and SS energy: 2.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -246.570470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.570470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.612050 (E_RNA)
where:
Base-Base interactions energy: -144.036
where: short stacking energy: -75.138
Base-Backbone interact. energy: -0.045
local terms energy: -102.531750
where:
bonds (distance) C4'-P energy: -21.321
bonds (distance) P-C4' energy: -21.682
flat angles C4'-P-C4' energy: -22.492
flat angles P-C4'-P energy: -15.072
tors. eta vs tors. theta energy: -21.965
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: 7
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -225.012308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.012308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.012308 (E_RNA)
where:
Base-Base interactions energy: -130.411
where: short stacking energy: -66.013
Base-Backbone interact. energy: -0.114
local terms energy: -94.487675
where:
bonds (distance) C4'-P energy: -21.059
bonds (distance) P-C4' energy: -20.755
flat angles C4'-P-C4' energy: -19.950
flat angles P-C4'-P energy: -16.997
tors. eta vs tors. theta energy: -15.727
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -218.730396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.730396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.829971 (E_RNA)
where:
Base-Base interactions energy: -138.789
where: short stacking energy: -73.153
Base-Backbone interact. energy: -0.405
local terms energy: -79.635263
where:
bonds (distance) C4'-P energy: -13.065
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -15.919
tors. eta vs tors. theta energy: -16.452
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: 3
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -204.115613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.115613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.274887 (E_RNA)
where:
Base-Base interactions energy: -128.023
where: short stacking energy: -61.728
Base-Backbone interact. energy: 0.123
local terms energy: -76.374694
where:
bonds (distance) C4'-P energy: -13.636
bonds (distance) P-C4' energy: -21.443
flat angles C4'-P-C4' energy: -19.669
flat angles P-C4'-P energy: -16.483
tors. eta vs tors. theta energy: -5.144
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: 10, replica: 9
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -212.141920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.141920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.402272 (E_RNA)
where:
Base-Base interactions energy: -135.076
where: short stacking energy: -65.206
Base-Backbone interact. energy: -0.135
local terms energy: -78.190797
where:
bonds (distance) C4'-P energy: -15.948
bonds (distance) P-C4' energy: -21.098
flat angles C4'-P-C4' energy: -17.723
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: -12.395
Dist. restrs. and SS energy: 1.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -311.737461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.737461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.760183 (E_RNA)
where:
Base-Base interactions energy: -192.212
where: short stacking energy: -113.731
Base-Backbone interact. energy: -0.102
local terms energy: -119.446450
where:
bonds (distance) C4'-P energy: -21.775
bonds (distance) P-C4' energy: -26.689
flat angles C4'-P-C4' energy: -23.244
flat angles P-C4'-P energy: -17.257
tors. eta vs tors. theta energy: -30.482
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: 142
Temperature: 0.950000
Total energy: -290.595557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.595557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.906430 (E_RNA)
where:
Base-Base interactions energy: -173.128
where: short stacking energy: -105.420
Base-Backbone interact. energy: -0.084
local terms energy: -117.694178
where:
bonds (distance) C4'-P energy: -23.036
bonds (distance) P-C4' energy: -23.327
flat angles C4'-P-C4' energy: -26.144
flat angles P-C4'-P energy: -16.649
tors. eta vs tors. theta energy: -28.539
Dist. restrs. and SS energy: 0.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -278.863764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.863764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.419508 (E_RNA)
where:
Base-Base interactions energy: -168.878
where: short stacking energy: -87.104
Base-Backbone interact. energy: -0.801
local terms energy: -109.740046
where:
bonds (distance) C4'-P energy: -24.551
bonds (distance) P-C4' energy: -25.542
flat angles C4'-P-C4' energy: -21.958
flat angles P-C4'-P energy: -13.860
tors. eta vs tors. theta energy: -23.828
Dist. restrs. and SS energy: 0.556 (S_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: 142
Temperature: 1.050000
Total energy: -260.734519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.734519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.756546 (E_RNA)
where:
Base-Base interactions energy: -159.134
where: short stacking energy: -83.879
Base-Backbone interact. energy: -0.110
local terms energy: -101.511802
where:
bonds (distance) C4'-P energy: -19.971
bonds (distance) P-C4' energy: -23.988
flat angles C4'-P-C4' energy: -20.650
flat angles P-C4'-P energy: -16.091
tors. eta vs tors. theta energy: -20.812
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -232.849501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.849501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.992623 (E_RNA)
where:
Base-Base interactions energy: -140.580
where: short stacking energy: -69.543
Base-Backbone interact. energy: -0.062
local terms energy: -92.350162
where:
bonds (distance) C4'-P energy: -16.899
bonds (distance) P-C4' energy: -20.962
flat angles C4'-P-C4' energy: -21.441
flat angles P-C4'-P energy: -19.146
tors. eta vs tors. theta energy: -13.901
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: 4
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -220.543499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.543499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.759885 (E_RNA)
where:
Base-Base interactions energy: -132.110
where: short stacking energy: -69.247
Base-Backbone interact. energy: -0.210
local terms energy: -88.440005
where:
bonds (distance) C4'-P energy: -27.071
bonds (distance) P-C4' energy: -22.312
flat angles C4'-P-C4' energy: -21.445
flat angles P-C4'-P energy: -6.767
tors. eta vs tors. theta energy: -10.844
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: 7, replica: 5
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -219.974728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.974728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.167369 (E_RNA)
where:
Base-Base interactions energy: -139.320
where: short stacking energy: -69.912
Base-Backbone interact. energy: -0.203
local terms energy: -80.644831
where:
bonds (distance) C4'-P energy: -20.150
bonds (distance) P-C4' energy: -12.550
flat angles C4'-P-C4' energy: -21.330
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -17.196
Dist. restrs. and SS energy: 0.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -214.047400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.047400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.084215 (E_RNA)
where:
Base-Base interactions energy: -128.047
where: short stacking energy: -64.315
Base-Backbone interact. energy: -0.230
local terms energy: -85.806713
where:
bonds (distance) C4'-P energy: -17.849
bonds (distance) P-C4' energy: -22.315
flat angles C4'-P-C4' energy: -20.541
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -16.090
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -213.785416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.785416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.844200 (E_RNA)
where:
Base-Base interactions energy: -125.736
where: short stacking energy: -64.781
Base-Backbone interact. energy: -0.269
local terms energy: -87.839193
where:
bonds (distance) C4'-P energy: -18.812
bonds (distance) P-C4' energy: -19.021
flat angles C4'-P-C4' energy: -21.001
flat angles P-C4'-P energy: -13.823
tors. eta vs tors. theta energy: -15.182
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: 142
Temperature: 1.350000
Total energy: -211.200602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.200602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.800683 (E_RNA)
where:
Base-Base interactions energy: -129.689
where: short stacking energy: -67.570
Base-Backbone interact. energy: -0.131
local terms energy: -81.980086
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -20.310
flat angles P-C4'-P energy: -14.560
tors. eta vs tors. theta energy: -17.987
Dist. restrs. and SS energy: 0.600 (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: 8
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -294.188117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.188117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.292085 (E_RNA)
where:
Base-Base interactions energy: -177.588
where: short stacking energy: -105.356
Base-Backbone interact. energy: -0.007
local terms energy: -116.697416
where:
bonds (distance) C4'-P energy: -18.184
bonds (distance) P-C4' energy: -22.681
flat angles C4'-P-C4' energy: -25.899
flat angles P-C4'-P energy: -19.549
tors. eta vs tors. theta energy: -30.384
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: 143
Temperature: 0.950000
Total energy: -262.477804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.477804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.939532 (E_RNA)
where:
Base-Base interactions energy: -169.454
where: short stacking energy: -97.056
Base-Backbone interact. energy: -0.240
local terms energy: -93.246316
where:
bonds (distance) C4'-P energy: -18.771
bonds (distance) P-C4' energy: -22.312
flat angles C4'-P-C4' energy: -17.856
flat angles P-C4'-P energy: -14.195
tors. eta vs tors. theta energy: -20.112
Dist. restrs. and SS energy: 0.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -272.734088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.734088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.967734 (E_RNA)
where:
Base-Base interactions energy: -164.636
where: short stacking energy: -84.650
Base-Backbone interact. energy: -0.189
local terms energy: -108.142322
where:
bonds (distance) C4'-P energy: -22.680
bonds (distance) P-C4' energy: -25.742
flat angles C4'-P-C4' energy: -22.236
flat angles P-C4'-P energy: -15.341
tors. eta vs tors. theta energy: -22.143
Dist. restrs. and SS energy: 0.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -262.692123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.692123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.712484 (E_RNA)
where:
Base-Base interactions energy: -168.771
where: short stacking energy: -99.731
Base-Backbone interact. energy: -0.036
local terms energy: -93.905446
where:
bonds (distance) C4'-P energy: -18.332
bonds (distance) P-C4' energy: -23.479
flat angles C4'-P-C4' energy: -17.920
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -24.491
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -238.839758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.839758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.845521 (E_RNA)
where:
Base-Base interactions energy: -151.661
where: short stacking energy: -80.121
Base-Backbone interact. energy: -0.112
local terms energy: -87.072791
where:
bonds (distance) C4'-P energy: -18.165
bonds (distance) P-C4' energy: -20.906
flat angles C4'-P-C4' energy: -19.957
flat angles P-C4'-P energy: -14.386
tors. eta vs tors. theta energy: -13.659
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: 143
Temperature: 1.150000
Total energy: -225.704999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.704999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.729850 (E_RNA)
where:
Base-Base interactions energy: -135.434
where: short stacking energy: -69.900
Base-Backbone interact. energy: -0.140
local terms energy: -90.155877
where:
bonds (distance) C4'-P energy: -19.401
bonds (distance) P-C4' energy: -23.250
flat angles C4'-P-C4' energy: -18.763
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -19.630
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: 143
Temperature: 1.200000
Total energy: -227.739244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.739244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.837258 (E_RNA)
where:
Base-Base interactions energy: -151.867
where: short stacking energy: -71.082
Base-Backbone interact. energy: 0.218
local terms energy: -76.188452
where:
bonds (distance) C4'-P energy: -19.259
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -22.231
flat angles P-C4'-P energy: -5.452
tors. eta vs tors. theta energy: -13.338
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: 9
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -223.821975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.821975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.561887 (E_RNA)
where:
Base-Base interactions energy: -145.901
where: short stacking energy: -72.454
Base-Backbone interact. energy: 1.040
local terms energy: -79.701267
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -20.478
flat angles C4'-P-C4' energy: -19.892
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -15.995
Dist. restrs. and SS energy: 0.740 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -209.287696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.287696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.751562 (E_RNA)
where:
Base-Base interactions energy: -123.465
where: short stacking energy: -63.578
Base-Backbone interact. energy: -0.215
local terms energy: -86.071073
where:
bonds (distance) C4'-P energy: -21.594
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -18.972
flat angles P-C4'-P energy: -15.394
tors. eta vs tors. theta energy: -15.980
Dist. restrs. and SS energy: 0.464 (S_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: 143
Temperature: 1.350000
Total energy: -199.211329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.211329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.363127 (E_RNA)
where:
Base-Base interactions energy: -130.148
where: short stacking energy: -67.419
Base-Backbone interact. energy: -0.217
local terms energy: -68.997637
where:
bonds (distance) C4'-P energy: -18.423
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -6.111
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: 8
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -301.787617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.787617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.083915 (E_RNA)
where:
Base-Base interactions energy: -177.423
where: short stacking energy: -111.602
Base-Backbone interact. energy: -0.657
local terms energy: -124.003002
where:
bonds (distance) C4'-P energy: -24.347
bonds (distance) P-C4' energy: -23.308
flat angles C4'-P-C4' energy: -24.191
flat angles P-C4'-P energy: -18.027
tors. eta vs tors. theta energy: -34.131
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: 2, replica: 2
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -274.264128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.264128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.264128 (E_RNA)
where:
Base-Base interactions energy: -172.036
where: short stacking energy: -96.182
Base-Backbone interact. energy: -0.069
local terms energy: -102.159920
where:
bonds (distance) C4'-P energy: -16.533
bonds (distance) P-C4' energy: -24.042
flat angles C4'-P-C4' energy: -23.741
flat angles P-C4'-P energy: -14.866
tors. eta vs tors. theta energy: -22.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -270.437856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.437856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.524454 (E_RNA)
where:
Base-Base interactions energy: -164.810
where: short stacking energy: -93.786
Base-Backbone interact. energy: -0.255
local terms energy: -105.459821
where:
bonds (distance) C4'-P energy: -20.032
bonds (distance) P-C4' energy: -23.928
flat angles C4'-P-C4' energy: -20.020
flat angles P-C4'-P energy: -18.620
tors. eta vs tors. theta energy: -22.860
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -275.475405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.475405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.498764 (E_RNA)
where:
Base-Base interactions energy: -176.379
where: short stacking energy: -101.589
Base-Backbone interact. energy: -0.033
local terms energy: -99.086942
where:
bonds (distance) C4'-P energy: -20.875
bonds (distance) P-C4' energy: -15.934
flat angles C4'-P-C4' energy: -18.887
flat angles P-C4'-P energy: -15.090
tors. eta vs tors. theta energy: -28.302
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -233.627916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.627916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.701573 (E_RNA)
where:
Base-Base interactions energy: -143.214
where: short stacking energy: -76.736
Base-Backbone interact. energy: -0.428
local terms energy: -90.059017
where:
bonds (distance) C4'-P energy: -20.573
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -23.545
flat angles P-C4'-P energy: -13.288
tors. eta vs tors. theta energy: -16.875
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: 144
Temperature: 1.150000
Total energy: -225.912581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.912581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.950034 (E_RNA)
where:
Base-Base interactions energy: -147.173
where: short stacking energy: -82.721
Base-Backbone interact. energy: 0.346
local terms energy: -79.123830
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -17.877
flat angles C4'-P-C4' energy: -22.237
flat angles P-C4'-P energy: -7.310
tors. eta vs tors. theta energy: -18.209
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: 144
Temperature: 1.200000
Total energy: -236.186400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.186400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.398390 (E_RNA)
where:
Base-Base interactions energy: -142.937
where: short stacking energy: -74.961
Base-Backbone interact. energy: -0.194
local terms energy: -93.266854
where:
bonds (distance) C4'-P energy: -18.575
bonds (distance) P-C4' energy: -25.594
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -14.317
tors. eta vs tors. theta energy: -18.072
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: 5
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -228.987908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.987908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.031797 (E_RNA)
where:
Base-Base interactions energy: -144.951
where: short stacking energy: -69.580
Base-Backbone interact. energy: -0.138
local terms energy: -83.942914
where:
bonds (distance) C4'-P energy: -13.392
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -22.817
flat angles P-C4'-P energy: -16.052
tors. eta vs tors. theta energy: -14.295
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: 3
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -202.004571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.004571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.025328 (E_RNA)
where:
Base-Base interactions energy: -119.674
where: short stacking energy: -55.524
Base-Backbone interact. energy: -0.253
local terms energy: -82.098367
where:
bonds (distance) C4'-P energy: -19.805
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -20.241
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -8.583
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: 7
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -193.021401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.021401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.248838 (E_RNA)
where:
Base-Base interactions energy: -113.297
where: short stacking energy: -53.347
Base-Backbone interact. energy: -0.105
local terms energy: -79.846837
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -21.417
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -15.137
tors. eta vs tors. theta energy: -12.769
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: 1, replica: 8
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -303.878491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.878491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.079377 (E_RNA)
where:
Base-Base interactions energy: -195.147
where: short stacking energy: -110.951
Base-Backbone interact. energy: -0.089
local terms energy: -108.843153
where:
bonds (distance) C4'-P energy: -22.328
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -19.630
flat angles P-C4'-P energy: -16.161
tors. eta vs tors. theta energy: -32.757
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: 2, replica: 6
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -290.080680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.080680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.736364 (E_RNA)
where:
Base-Base interactions energy: -175.318
where: short stacking energy: -89.111
Base-Backbone interact. energy: -0.153
local terms energy: -115.264526
where:
bonds (distance) C4'-P energy: -24.024
bonds (distance) P-C4' energy: -25.165
flat angles C4'-P-C4' energy: -22.800
flat angles P-C4'-P energy: -17.710
tors. eta vs tors. theta energy: -25.565
Dist. restrs. and SS energy: 0.656 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -265.770443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.770443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.770443 (E_RNA)
where:
Base-Base interactions energy: -156.431
where: short stacking energy: -89.281
Base-Backbone interact. energy: -0.105
local terms energy: -109.234536
where:
bonds (distance) C4'-P energy: -18.974
bonds (distance) P-C4' energy: -24.620
flat angles C4'-P-C4' energy: -23.955
flat angles P-C4'-P energy: -16.762
tors. eta vs tors. theta energy: -24.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -265.058662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.058662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.145407 (E_RNA)
where:
Base-Base interactions energy: -153.764
where: short stacking energy: -91.897
Base-Backbone interact. energy: -1.741
local terms energy: -109.639511
where:
bonds (distance) C4'-P energy: -17.798
bonds (distance) P-C4' energy: -21.006
flat angles C4'-P-C4' energy: -25.341
flat angles P-C4'-P energy: -17.771
tors. eta vs tors. theta energy: -27.725
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: 4
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -246.563155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.563155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.614985 (E_RNA)
where:
Base-Base interactions energy: -144.409
where: short stacking energy: -75.939
Base-Backbone interact. energy: -0.246
local terms energy: -101.959498
where:
bonds (distance) C4'-P energy: -17.699
bonds (distance) P-C4' energy: -19.738
flat angles C4'-P-C4' energy: -23.572
flat angles P-C4'-P energy: -18.828
tors. eta vs tors. theta energy: -22.122
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -243.569553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.569553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.372382 (E_RNA)
where:
Base-Base interactions energy: -146.893
where: short stacking energy: -69.619
Base-Backbone interact. energy: -0.010
local terms energy: -98.470119
where:
bonds (distance) C4'-P energy: -21.814
bonds (distance) P-C4' energy: -23.469
flat angles C4'-P-C4' energy: -20.054
flat angles P-C4'-P energy: -14.767
tors. eta vs tors. theta energy: -18.366
Dist. restrs. and SS energy: 1.803 (S_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: 145
Temperature: 1.200000
Total energy: -231.786786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.786786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.378021 (E_RNA)
where:
Base-Base interactions energy: -133.058
where: short stacking energy: -71.100
Base-Backbone interact. energy: 0.075
local terms energy: -99.395275
where:
bonds (distance) C4'-P energy: -22.817
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -24.026
flat angles P-C4'-P energy: -15.685
tors. eta vs tors. theta energy: -20.197
Dist. restrs. and SS energy: 0.591 (S_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: 145
Temperature: 1.250000
Total energy: -225.133194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.133194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.462352 (E_RNA)
where:
Base-Base interactions energy: -134.541
where: short stacking energy: -62.316
Base-Backbone interact. energy: -0.532
local terms energy: -90.389430
where:
bonds (distance) C4'-P energy: -21.656
bonds (distance) P-C4' energy: -21.955
flat angles C4'-P-C4' energy: -23.433
flat angles P-C4'-P energy: -12.487
tors. eta vs tors. theta energy: -10.857
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: 9, replica: 5
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -220.516109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.516109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.786251 (E_RNA)
where:
Base-Base interactions energy: -135.513
where: short stacking energy: -72.180
Base-Backbone interact. energy: 0.808
local terms energy: -86.081129
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -21.929
flat angles C4'-P-C4' energy: -19.004
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -17.691
Dist. restrs. and SS energy: 0.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -202.703037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.703037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.720420 (E_RNA)
where:
Base-Base interactions energy: -124.062
where: short stacking energy: -61.259
Base-Backbone interact. energy: 3.326
local terms energy: -81.983719
where:
bonds (distance) C4'-P energy: -10.694
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -21.419
flat angles P-C4'-P energy: -20.899
tors. eta vs tors. theta energy: -12.007
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: 6
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -299.866526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.866526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.876009 (E_RNA)
where:
Base-Base interactions energy: -192.907
where: short stacking energy: -102.834
Base-Backbone interact. energy: -0.397
local terms energy: -106.572349
where:
bonds (distance) C4'-P energy: -22.347
bonds (distance) P-C4' energy: -21.010
flat angles C4'-P-C4' energy: -19.478
flat angles P-C4'-P energy: -13.838
tors. eta vs tors. theta energy: -29.900
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: 8
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -295.245677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.245677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.245677 (E_RNA)
where:
Base-Base interactions energy: -170.999
where: short stacking energy: -98.998
Base-Backbone interact. energy: -0.248
local terms energy: -123.998657
where:
bonds (distance) C4'-P energy: -24.393
bonds (distance) P-C4' energy: -24.906
flat angles C4'-P-C4' energy: -28.497
flat angles P-C4'-P energy: -17.639
tors. eta vs tors. theta energy: -28.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -279.755143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.755143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.635749 (E_RNA)
where:
Base-Base interactions energy: -179.316
where: short stacking energy: -86.282
Base-Backbone interact. energy: -0.206
local terms energy: -101.113614
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -22.317
flat angles C4'-P-C4' energy: -23.230
flat angles P-C4'-P energy: -14.561
tors. eta vs tors. theta energy: -28.002
Dist. restrs. and SS energy: 0.881 (S_DIST_RNA)
chem. 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: -256.542345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.542345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.977808 (E_RNA)
where:
Base-Base interactions energy: -159.321
where: short stacking energy: -92.261
Base-Backbone interact. energy: 0.342
local terms energy: -97.998462
where:
bonds (distance) C4'-P energy: -17.691
bonds (distance) P-C4' energy: -12.721
flat angles C4'-P-C4' energy: -25.513
flat angles P-C4'-P energy: -16.171
tors. eta vs tors. theta energy: -25.902
Dist. restrs. and SS energy: 0.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -288.275121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.275121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.537672 (E_RNA)
where:
Base-Base interactions energy: -179.371
where: short stacking energy: -94.143
Base-Backbone interact. energy: -0.116
local terms energy: -110.049937
where:
bonds (distance) C4'-P energy: -20.203
bonds (distance) P-C4' energy: -24.695
flat angles C4'-P-C4' energy: -19.489
flat angles P-C4'-P energy: -16.960
tors. eta vs tors. theta energy: -28.703
Dist. restrs. and SS energy: 1.263 (S_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: 146
Temperature: 1.150000
Total energy: -241.404350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.404350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.523621 (E_RNA)
where:
Base-Base interactions energy: -149.171
where: short stacking energy: -84.626
Base-Backbone interact. energy: -0.122
local terms energy: -92.230779
where:
bonds (distance) C4'-P energy: -17.419
bonds (distance) P-C4' energy: -17.148
flat angles C4'-P-C4' energy: -21.693
flat angles P-C4'-P energy: -15.114
tors. eta vs tors. theta energy: -20.857
Dist. restrs. and SS energy: 0.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -246.084810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.084810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.147916 (E_RNA)
where:
Base-Base interactions energy: -151.151
where: short stacking energy: -80.246
Base-Backbone interact. energy: -1.083
local terms energy: -93.913719
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -22.051
flat angles C4'-P-C4' energy: -22.424
flat angles P-C4'-P energy: -13.626
tors. eta vs tors. theta energy: -22.427
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -223.759928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.759928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.378912 (E_RNA)
where:
Base-Base interactions energy: -134.700
where: short stacking energy: -61.327
Base-Backbone interact. energy: -0.134
local terms energy: -90.545860
where:
bonds (distance) C4'-P energy: -21.177
bonds (distance) P-C4' energy: -20.055
flat angles C4'-P-C4' energy: -21.347
flat angles P-C4'-P energy: -13.820
tors. eta vs tors. theta energy: -14.147
Dist. restrs. and SS energy: 1.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -220.702271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.702271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.977404 (E_RNA)
where:
Base-Base interactions energy: -136.759
where: short stacking energy: -67.422
Base-Backbone interact. energy: 0.476
local terms energy: -84.693504
where:
bonds (distance) C4'-P energy: -21.703
bonds (distance) P-C4' energy: -26.381
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: -13.188
tors. eta vs tors. theta energy: -12.005
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: 10, replica: 7
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -195.662059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.662059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.013139 (E_RNA)
where:
Base-Base interactions energy: -119.872
where: short stacking energy: -52.964
Base-Backbone interact. energy: -0.293
local terms energy: -75.848663
where:
bonds (distance) C4'-P energy: -20.331
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -13.038
tors. eta vs tors. theta energy: -10.812
Dist. restrs. and SS energy: 0.351 (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: 6
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -321.782225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.782225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.107795 (E_RNA)
where:
Base-Base interactions energy: -208.671
where: short stacking energy: -117.243
Base-Backbone interact. energy: -1.674
local terms energy: -112.763059
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -21.235
flat angles C4'-P-C4' energy: -26.595
flat angles P-C4'-P energy: -15.424
tors. eta vs tors. theta energy: -33.538
Dist. restrs. and SS energy: 1.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -305.028118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.028118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.028118 (E_RNA)
where:
Base-Base interactions energy: -188.922
where: short stacking energy: -112.934
Base-Backbone interact. energy: -0.002
local terms energy: -116.104270
where:
bonds (distance) C4'-P energy: -21.540
bonds (distance) P-C4' energy: -17.605
flat angles C4'-P-C4' energy: -25.123
flat angles P-C4'-P energy: -19.019
tors. eta vs tors. theta energy: -32.818
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -291.417291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.417291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.625329 (E_RNA)
where:
Base-Base interactions energy: -187.438
where: short stacking energy: -96.252
Base-Backbone interact. energy: -0.216
local terms energy: -104.971023
where:
bonds (distance) C4'-P energy: -22.563
bonds (distance) P-C4' energy: -17.471
flat angles C4'-P-C4' energy: -20.974
flat angles P-C4'-P energy: -15.819
tors. eta vs tors. theta energy: -28.144
Dist. restrs. and SS energy: 1.208 (S_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: 147
Temperature: 1.050000
Total energy: -256.822366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.822366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.058787 (E_RNA)
where:
Base-Base interactions energy: -149.454
where: short stacking energy: -87.995
Base-Backbone interact. energy: -0.604
local terms energy: -107.000748
where:
bonds (distance) C4'-P energy: -23.523
bonds (distance) P-C4' energy: -25.970
flat angles C4'-P-C4' energy: -18.279
flat angles P-C4'-P energy: -16.440
tors. eta vs tors. theta energy: -22.788
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: 5, replica: 2
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -236.484262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.484262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.702850 (E_RNA)
where:
Base-Base interactions energy: -151.836
where: short stacking energy: -81.396
Base-Backbone interact. energy: -0.093
local terms energy: -84.773168
where:
bonds (distance) C4'-P energy: -20.349
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -22.072
flat angles P-C4'-P energy: -7.390
tors. eta vs tors. theta energy: -19.568
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: 6, replica: 1
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -239.413593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.413593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.418502 (E_RNA)
where:
Base-Base interactions energy: -137.007
where: short stacking energy: -71.625
Base-Backbone interact. energy: -0.465
local terms energy: -101.946171
where:
bonds (distance) C4'-P energy: -24.641
bonds (distance) P-C4' energy: -23.948
flat angles C4'-P-C4' energy: -22.539
flat angles P-C4'-P energy: -13.455
tors. eta vs tors. theta energy: -17.364
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: 4
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -216.024396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.024396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.161106 (E_RNA)
where:
Base-Base interactions energy: -136.171
where: short stacking energy: -68.284
Base-Backbone interact. energy: -0.099
local terms energy: -79.890347
where:
bonds (distance) C4'-P energy: -17.918
bonds (distance) P-C4' energy: -13.957
flat angles C4'-P-C4' energy: -21.054
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -17.589
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -217.635027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.635027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.636492 (E_RNA)
where:
Base-Base interactions energy: -131.320
where: short stacking energy: -65.218
Base-Backbone interact. energy: -1.115
local terms energy: -85.201550
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -20.081
flat angles C4'-P-C4' energy: -18.905
flat angles P-C4'-P energy: -16.811
tors. eta vs tors. theta energy: -16.271
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: 3
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -210.715463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.715463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.904775 (E_RNA)
where:
Base-Base interactions energy: -125.641
where: short stacking energy: -66.847
Base-Backbone interact. energy: -0.744
local terms energy: -84.519708
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -20.619
flat angles C4'-P-C4' energy: -22.710
flat angles P-C4'-P energy: -14.918
tors. eta vs tors. theta energy: -15.135
Dist. restrs. and SS energy: 0.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -199.393609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.393609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.636783 (E_RNA)
where:
Base-Base interactions energy: -116.631
where: short stacking energy: -55.122
Base-Backbone interact. energy: -0.303
local terms energy: -82.703369
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -21.242
flat angles C4'-P-C4' energy: -19.197
flat angles P-C4'-P energy: -17.226
tors. eta vs tors. theta energy: -11.732
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: 1, replica: 10
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -309.285697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.285697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.326661 (E_RNA)
where:
Base-Base interactions energy: -192.851
where: short stacking energy: -118.451
Base-Backbone interact. energy: -0.281
local terms energy: -116.194575
where:
bonds (distance) C4'-P energy: -25.226
bonds (distance) P-C4' energy: -20.238
flat angles C4'-P-C4' energy: -22.369
flat angles P-C4'-P energy: -14.762
tors. eta vs tors. theta energy: -33.600
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -295.139848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.139848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.938347 (E_RNA)
where:
Base-Base interactions energy: -186.105
where: short stacking energy: -104.796
Base-Backbone interact. energy: -0.104
local terms energy: -109.729690
where:
bonds (distance) C4'-P energy: -24.501
bonds (distance) P-C4' energy: -21.954
flat angles C4'-P-C4' energy: -22.106
flat angles P-C4'-P energy: -15.039
tors. eta vs tors. theta energy: -26.131
Dist. restrs. and SS energy: 0.798 (S_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: -291.668078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.668078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.253285 (E_RNA)
where:
Base-Base interactions energy: -183.123
where: short stacking energy: -102.705
Base-Backbone interact. energy: -0.221
local terms energy: -109.909107
where:
bonds (distance) C4'-P energy: -21.305
bonds (distance) P-C4' energy: -21.425
flat angles C4'-P-C4' energy: -24.661
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -31.949
Dist. restrs. and SS energy: 1.585 (S_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: 148
Temperature: 1.050000
Total energy: -257.280143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.280143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.343183 (E_RNA)
where:
Base-Base interactions energy: -153.983
where: short stacking energy: -87.393
Base-Backbone interact. energy: -0.459
local terms energy: -102.900817
where:
bonds (distance) C4'-P energy: -16.887
bonds (distance) P-C4' energy: -24.841
flat angles C4'-P-C4' energy: -21.941
flat angles P-C4'-P energy: -14.445
tors. eta vs tors. theta energy: -24.787
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: 1
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -230.331282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.331282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.331282 (E_RNA)
where:
Base-Base interactions energy: -141.674
where: short stacking energy: -69.047
Base-Backbone interact. energy: -0.193
local terms energy: -88.465070
where:
bonds (distance) C4'-P energy: -25.717
bonds (distance) P-C4' energy: -19.365
flat angles C4'-P-C4' energy: -19.379
flat angles P-C4'-P energy: -9.761
tors. eta vs tors. theta energy: -14.242
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: 2
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -238.142119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.142119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.194219 (E_RNA)
where:
Base-Base interactions energy: -139.656
where: short stacking energy: -76.150
Base-Backbone interact. energy: -0.044
local terms energy: -98.494291
where:
bonds (distance) C4'-P energy: -22.254
bonds (distance) P-C4' energy: -23.130
flat angles C4'-P-C4' energy: -19.913
flat angles P-C4'-P energy: -17.859
tors. eta vs tors. theta energy: -15.338
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -238.639948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.639948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.681634 (E_RNA)
where:
Base-Base interactions energy: -144.022
where: short stacking energy: -78.134
Base-Backbone interact. energy: -0.170
local terms energy: -94.488976
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -21.708
flat angles C4'-P-C4' energy: -22.380
flat angles P-C4'-P energy: -15.946
tors. eta vs tors. theta energy: -20.756
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: 5
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -217.585739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.585739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.821933 (E_RNA)
where:
Base-Base interactions energy: -134.444
where: short stacking energy: -61.000
Base-Backbone interact. energy: 1.670
local terms energy: -85.048448
where:
bonds (distance) C4'-P energy: -18.020
bonds (distance) P-C4' energy: -18.033
flat angles C4'-P-C4' energy: -18.973
flat angles P-C4'-P energy: -15.775
tors. eta vs tors. theta energy: -14.247
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: 7
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -210.661415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.661415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.661415 (E_RNA)
where:
Base-Base interactions energy: -115.365
where: short stacking energy: -59.426
Base-Backbone interact. energy: -0.546
local terms energy: -94.750373
where:
bonds (distance) C4'-P energy: -23.152
bonds (distance) P-C4' energy: -25.537
flat angles C4'-P-C4' energy: -20.618
flat angles P-C4'-P energy: -13.648
tors. eta vs tors. theta energy: -11.795
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -205.339208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.339208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.393793 (E_RNA)
where:
Base-Base interactions energy: -116.455
where: short stacking energy: -47.145
Base-Backbone interact. energy: 1.495
local terms energy: -90.433478
where:
bonds (distance) C4'-P energy: -18.526
bonds (distance) P-C4' energy: -25.928
flat angles C4'-P-C4' energy: -17.613
flat angles P-C4'-P energy: -17.681
tors. eta vs tors. theta energy: -10.685
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -307.558230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.558230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.109780 (E_RNA)
where:
Base-Base interactions energy: -189.480
where: short stacking energy: -119.843
Base-Backbone interact. energy: 0.136
local terms energy: -118.766082
where:
bonds (distance) C4'-P energy: -18.598
bonds (distance) P-C4' energy: -21.502
flat angles C4'-P-C4' energy: -24.089
flat angles P-C4'-P energy: -20.150
tors. eta vs tors. theta energy: -34.427
Dist. restrs. and SS energy: 0.552 (S_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: 149
Temperature: 0.950000
Total energy: -282.810944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.810944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.653448 (E_RNA)
where:
Base-Base interactions energy: -182.750
where: short stacking energy: -96.484
Base-Backbone interact. energy: -0.363
local terms energy: -100.540432
where:
bonds (distance) C4'-P energy: -20.551
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -23.823
flat angles P-C4'-P energy: -16.362
tors. eta vs tors. theta energy: -22.795
Dist. restrs. and SS energy: 0.843 (S_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: 149
Temperature: 1.000000
Total energy: -290.938486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.938486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.033984 (E_RNA)
where:
Base-Base interactions energy: -185.409
where: short stacking energy: -93.923
Base-Backbone interact. energy: -1.536
local terms energy: -104.089887
where:
bonds (distance) C4'-P energy: -23.413
bonds (distance) P-C4' energy: -18.006
flat angles C4'-P-C4' energy: -23.076
flat angles P-C4'-P energy: -13.760
tors. eta vs tors. theta energy: -25.835
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: 1
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -238.234120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.234120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.310888 (E_RNA)
where:
Base-Base interactions energy: -143.446
where: short stacking energy: -75.115
Base-Backbone interact. energy: -0.580
local terms energy: -94.284250
where:
bonds (distance) C4'-P energy: -21.459
bonds (distance) P-C4' energy: -20.168
flat angles C4'-P-C4' energy: -22.285
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -17.306
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: 149
Temperature: 1.100000
Total energy: -247.386741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.386741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.402851 (E_RNA)
where:
Base-Base interactions energy: -149.656
where: short stacking energy: -89.836
Base-Backbone interact. energy: -0.038
local terms energy: -97.708798
where:
bonds (distance) C4'-P energy: -19.967
bonds (distance) P-C4' energy: -23.054
flat angles C4'-P-C4' energy: -19.302
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -24.127
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: 4
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -236.323440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.323440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.398680 (E_RNA)
where:
Base-Base interactions energy: -140.621
where: short stacking energy: -81.200
Base-Backbone interact. energy: -0.411
local terms energy: -95.366039
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -21.337
flat angles C4'-P-C4' energy: -23.671
flat angles P-C4'-P energy: -13.736
tors. eta vs tors. theta energy: -20.958
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: 2
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -225.395363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.395363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.467921 (E_RNA)
where:
Base-Base interactions energy: -136.174
where: short stacking energy: -74.602
Base-Backbone interact. energy: 0.322
local terms energy: -89.615718
where:
bonds (distance) C4'-P energy: -19.175
bonds (distance) P-C4' energy: -20.792
flat angles C4'-P-C4' energy: -18.328
flat angles P-C4'-P energy: -11.354
tors. eta vs tors. theta energy: -19.968
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: 7
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -225.770893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.770893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.770893 (E_RNA)
where:
Base-Base interactions energy: -138.377
where: short stacking energy: -67.948
Base-Backbone interact. energy: -0.532
local terms energy: -86.861755
where:
bonds (distance) C4'-P energy: -21.697
bonds (distance) P-C4' energy: -19.625
flat angles C4'-P-C4' energy: -20.825
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -14.864
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -194.353369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.353369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.414285 (E_RNA)
where:
Base-Base interactions energy: -109.550
where: short stacking energy: -51.813
Base-Backbone interact. energy: 0.472
local terms energy: -85.335535
where:
bonds (distance) C4'-P energy: -22.120
bonds (distance) P-C4' energy: -18.521
flat angles C4'-P-C4' energy: -24.328
flat angles P-C4'-P energy: -12.770
tors. eta vs tors. theta energy: -7.596
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: 3
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -209.610021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.610021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.800051 (E_RNA)
where:
Base-Base interactions energy: -125.439
where: short stacking energy: -65.806
Base-Backbone interact. energy: 1.369
local terms energy: -85.729975
where:
bonds (distance) C4'-P energy: -19.165
bonds (distance) P-C4' energy: -21.073
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -13.476
tors. eta vs tors. theta energy: -15.918
Dist. restrs. and SS energy: 0.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -297.520002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.520002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.195050 (E_RNA)
where:
Base-Base interactions energy: -183.275
where: short stacking energy: -113.981
Base-Backbone interact. energy: -0.047
local terms energy: -116.872698
where:
bonds (distance) C4'-P energy: -23.470
bonds (distance) P-C4' energy: -18.651
flat angles C4'-P-C4' energy: -23.509
flat angles P-C4'-P energy: -15.698
tors. eta vs tors. theta energy: -35.545
Dist. restrs. and SS energy: 2.675 (S_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: 150
Temperature: 0.950000
Total energy: -299.634238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.634238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.976232 (E_RNA)
where:
Base-Base interactions energy: -188.495
where: short stacking energy: -106.357
Base-Backbone interact. energy: -0.009
local terms energy: -112.471751
where:
bonds (distance) C4'-P energy: -22.334
bonds (distance) P-C4' energy: -18.142
flat angles C4'-P-C4' energy: -24.262
flat angles P-C4'-P energy: -16.553
tors. eta vs tors. theta energy: -31.180
Dist. restrs. and SS energy: 1.342 (S_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: 150
Temperature: 1.000000
Total energy: -297.233148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.233148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.233148 (E_RNA)
where:
Base-Base interactions energy: -189.299
where: short stacking energy: -103.539
Base-Backbone interact. energy: -0.004
local terms energy: -107.930551
where:
bonds (distance) C4'-P energy: -20.029
bonds (distance) P-C4' energy: -20.653
flat angles C4'-P-C4' energy: -22.200
flat angles P-C4'-P energy: -15.281
tors. eta vs tors. theta energy: -29.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -266.987696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.987696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.134241 (E_RNA)
where:
Base-Base interactions energy: -161.088
where: short stacking energy: -87.592
Base-Backbone interact. energy: -1.136
local terms energy: -104.910221
where:
bonds (distance) C4'-P energy: -20.211
bonds (distance) P-C4' energy: -27.044
flat angles C4'-P-C4' energy: -19.089
flat angles P-C4'-P energy: -15.484
tors. eta vs tors. theta energy: -23.081
Dist. restrs. and SS energy: 0.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -232.115480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.115480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.184463 (E_RNA)
where:
Base-Base interactions energy: -138.699
where: short stacking energy: -72.313
Base-Backbone interact. energy: -0.218
local terms energy: -93.267710
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -23.028
flat angles C4'-P-C4' energy: -21.880
flat angles P-C4'-P energy: -16.092
tors. eta vs tors. theta energy: -17.788
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -242.692470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.692470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.824854 (E_RNA)
where:
Base-Base interactions energy: -142.615
where: short stacking energy: -74.647
Base-Backbone interact. energy: -0.092
local terms energy: -100.117715
where:
bonds (distance) C4'-P energy: -20.949
bonds (distance) P-C4' energy: -23.923
flat angles C4'-P-C4' energy: -21.075
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -22.815
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -234.239385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.239385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.461692 (E_RNA)
where:
Base-Base interactions energy: -141.485
where: short stacking energy: -73.196
Base-Backbone interact. energy: -0.137
local terms energy: -92.839561
where:
bonds (distance) C4'-P energy: -16.332
bonds (distance) P-C4' energy: -18.952
flat angles C4'-P-C4' energy: -25.354
flat angles P-C4'-P energy: -14.145
tors. eta vs tors. theta energy: -18.057
Dist. restrs. and SS energy: 0.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -218.722613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.722613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.997165 (E_RNA)
where:
Base-Base interactions energy: -133.861
where: short stacking energy: -67.599
Base-Backbone interact. energy: -0.433
local terms energy: -84.703565
where:
bonds (distance) C4'-P energy: -21.188
bonds (distance) P-C4' energy: -19.875
flat angles C4'-P-C4' energy: -20.899
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -11.217
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: 9, replica: 3
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -201.582947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.582947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.680991 (E_RNA)
where:
Base-Base interactions energy: -117.152
where: short stacking energy: -57.933
Base-Backbone interact. energy: 1.209
local terms energy: -85.737917
where:
bonds (distance) C4'-P energy: -21.024
bonds (distance) P-C4' energy: -22.263
flat angles C4'-P-C4' energy: -17.453
flat angles P-C4'-P energy: -9.878
tors. eta vs tors. theta energy: -15.120
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: 150
Temperature: 1.350000
Total energy: -194.251825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.251825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.437097 (E_RNA)
where:
Base-Base interactions energy: -118.306
where: short stacking energy: -56.157
Base-Backbone interact. energy: -0.337
local terms energy: -75.794645
where:
bonds (distance) C4'-P energy: -15.003
bonds (distance) P-C4' energy: -13.393
flat angles C4'-P-C4' energy: -25.979
flat angles P-C4'-P energy: -5.825
tors. eta vs tors. theta energy: -15.594
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: 1, replica: 10
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -314.108750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.108750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.119166 (E_RNA)
where:
Base-Base interactions energy: -191.627
where: short stacking energy: -113.560
Base-Backbone interact. energy: -0.005
local terms energy: -122.486661
where:
bonds (distance) C4'-P energy: -22.882
bonds (distance) P-C4' energy: -23.963
flat angles C4'-P-C4' energy: -26.465
flat angles P-C4'-P energy: -14.986
tors. eta vs tors. theta energy: -34.190
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -299.937054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.937054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.790226 (E_RNA)
where:
Base-Base interactions energy: -194.611
where: short stacking energy: -104.778
Base-Backbone interact. energy: -0.018
local terms energy: -107.161303
where:
bonds (distance) C4'-P energy: -21.203
bonds (distance) P-C4' energy: -22.950
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -18.216
tors. eta vs tors. theta energy: -29.337
Dist. restrs. and SS energy: 1.853 (S_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: 151
Temperature: 1.000000
Total energy: -288.451323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.451323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.558052 (E_RNA)
where:
Base-Base interactions energy: -176.380
where: short stacking energy: -99.976
Base-Backbone interact. energy: -1.705
local terms energy: -110.472665
where:
bonds (distance) C4'-P energy: -21.925
bonds (distance) P-C4' energy: -21.337
flat angles C4'-P-C4' energy: -24.851
flat angles P-C4'-P energy: -12.846
tors. eta vs tors. theta energy: -29.514
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: 1
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -275.249941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.249941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.344653 (E_RNA)
where:
Base-Base interactions energy: -167.666
where: short stacking energy: -80.552
Base-Backbone interact. energy: -0.533
local terms energy: -107.145747
where:
bonds (distance) C4'-P energy: -22.372
bonds (distance) P-C4' energy: -24.581
flat angles C4'-P-C4' energy: -20.343
flat angles P-C4'-P energy: -16.028
tors. eta vs tors. theta energy: -23.822
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: 4
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -249.540317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.540317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.766656 (E_RNA)
where:
Base-Base interactions energy: -159.482
where: short stacking energy: -86.553
Base-Backbone interact. energy: -0.126
local terms energy: -91.158468
where:
bonds (distance) C4'-P energy: -19.904
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -20.354
flat angles P-C4'-P energy: -13.346
tors. eta vs tors. theta energy: -19.961
Dist. restrs. and SS energy: 1.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -242.502279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.502279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.655778 (E_RNA)
where:
Base-Base interactions energy: -142.102
where: short stacking energy: -75.863
Base-Backbone interact. energy: -0.229
local terms energy: -100.324695
where:
bonds (distance) C4'-P energy: -19.684
bonds (distance) P-C4' energy: -24.289
flat angles C4'-P-C4' energy: -22.152
flat angles P-C4'-P energy: -13.037
tors. eta vs tors. theta energy: -21.163
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: 7
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -208.743196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.743196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.004621 (E_RNA)
where:
Base-Base interactions energy: -131.082
where: short stacking energy: -64.685
Base-Backbone interact. energy: -0.290
local terms energy: -77.632269
where:
bonds (distance) C4'-P energy: -19.593
bonds (distance) P-C4' energy: -21.274
flat angles C4'-P-C4' energy: -17.561
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -9.441
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: 151
Temperature: 1.250000
Total energy: -204.648992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.648992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.727180 (E_RNA)
where:
Base-Base interactions energy: -125.429
where: short stacking energy: -64.507
Base-Backbone interact. energy: -0.340
local terms energy: -78.957942
where:
bonds (distance) C4'-P energy: -14.395
bonds (distance) P-C4' energy: -22.284
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -13.310
tors. eta vs tors. theta energy: -12.444
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: 2
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -209.697926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.697926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.704199 (E_RNA)
where:
Base-Base interactions energy: -125.496
where: short stacking energy: -57.650
Base-Backbone interact. energy: -0.318
local terms energy: -83.890147
where:
bonds (distance) C4'-P energy: -17.740
bonds (distance) P-C4' energy: -23.253
flat angles C4'-P-C4' energy: -18.618
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -10.529
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: 5
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -198.602607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.602607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.881361 (E_RNA)
where:
Base-Base interactions energy: -123.910
where: short stacking energy: -58.716
Base-Backbone interact. energy: 0.918
local terms energy: -75.889546
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -20.898
flat angles C4'-P-C4' energy: -19.849
flat angles P-C4'-P energy: -8.767
tors. eta vs tors. theta energy: -10.794
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: 8
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -290.693407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.693407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.020549 (E_RNA)
where:
Base-Base interactions energy: -185.574
where: short stacking energy: -100.059
Base-Backbone interact. energy: -0.118
local terms energy: -106.328888
where:
bonds (distance) C4'-P energy: -20.411
bonds (distance) P-C4' energy: -21.436
flat angles C4'-P-C4' energy: -20.313
flat angles P-C4'-P energy: -15.722
tors. eta vs tors. theta energy: -28.447
Dist. restrs. and SS energy: 1.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -306.175490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.175490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.558595 (E_RNA)
where:
Base-Base interactions energy: -188.932
where: short stacking energy: -118.552
Base-Backbone interact. energy: -0.062
local terms energy: -117.564072
where:
bonds (distance) C4'-P energy: -19.444
bonds (distance) P-C4' energy: -20.379
flat angles C4'-P-C4' energy: -24.574
flat angles P-C4'-P energy: -17.917
tors. eta vs tors. theta energy: -35.251
Dist. restrs. and SS energy: 0.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -271.922761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.922761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.010998 (E_RNA)
where:
Base-Base interactions energy: -166.184
where: short stacking energy: -91.392
Base-Backbone interact. energy: -0.122
local terms energy: -105.705185
where:
bonds (distance) C4'-P energy: -25.746
bonds (distance) P-C4' energy: -22.700
flat angles C4'-P-C4' energy: -22.965
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -22.025
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: 6
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -271.556731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.556731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.834369 (E_RNA)
where:
Base-Base interactions energy: -165.730
where: short stacking energy: -89.069
Base-Backbone interact. energy: 0.034
local terms energy: -106.138200
where:
bonds (distance) C4'-P energy: -18.390
bonds (distance) P-C4' energy: -24.135
flat angles C4'-P-C4' energy: -21.718
flat angles P-C4'-P energy: -14.218
tors. eta vs tors. theta energy: -27.677
Dist. restrs. and SS energy: 0.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -243.544985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.544985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.698871 (E_RNA)
where:
Base-Base interactions energy: -154.055
where: short stacking energy: -70.038
Base-Backbone interact. energy: -0.255
local terms energy: -89.388683
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -22.775
flat angles C4'-P-C4' energy: -17.732
flat angles P-C4'-P energy: -16.006
tors. eta vs tors. theta energy: -17.004
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: 4
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -245.772793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.772793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.785827 (E_RNA)
where:
Base-Base interactions energy: -142.976
where: short stacking energy: -82.939
Base-Backbone interact. energy: -0.016
local terms energy: -102.794354
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -23.469
flat angles C4'-P-C4' energy: -23.145
flat angles P-C4'-P energy: -14.561
tors. eta vs tors. theta energy: -24.240
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: 3
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -215.265008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.265008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.328996 (E_RNA)
where:
Base-Base interactions energy: -135.085
where: short stacking energy: -62.461
Base-Backbone interact. energy: 0.458
local terms energy: -80.701509
where:
bonds (distance) C4'-P energy: -18.112
bonds (distance) P-C4' energy: -16.736
flat angles C4'-P-C4' energy: -17.938
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -15.909
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: 152
Temperature: 1.250000
Total energy: -224.544681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.544681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.215697 (E_RNA)
where:
Base-Base interactions energy: -134.686
where: short stacking energy: -79.260
Base-Backbone interact. energy: -0.004
local terms energy: -90.525890
where:
bonds (distance) C4'-P energy: -20.050
bonds (distance) P-C4' energy: -22.626
flat angles C4'-P-C4' energy: -17.876
flat angles P-C4'-P energy: -10.280
tors. eta vs tors. theta energy: -19.694
Dist. restrs. and SS energy: 0.671 (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: 5
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -216.325972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.325972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.524608 (E_RNA)
where:
Base-Base interactions energy: -135.093
where: short stacking energy: -62.926
Base-Backbone interact. energy: -0.837
local terms energy: -80.594053
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -22.847
flat angles C4'-P-C4' energy: -20.007
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -14.318
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: 10, replica: 2
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -196.263254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.263254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.351197 (E_RNA)
where:
Base-Base interactions energy: -137.609
where: short stacking energy: -57.460
Base-Backbone interact. energy: 0.742
local terms energy: -59.483675
where:
bonds (distance) C4'-P energy: -17.304
bonds (distance) P-C4' energy: -12.544
flat angles C4'-P-C4' energy: -14.768
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -4.985
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -284.593229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.593229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.663122 (E_RNA)
where:
Base-Base interactions energy: -173.508
where: short stacking energy: -102.285
Base-Backbone interact. energy: -0.048
local terms energy: -111.106750
where:
bonds (distance) C4'-P energy: -24.038
bonds (distance) P-C4' energy: -24.025
flat angles C4'-P-C4' energy: -18.425
flat angles P-C4'-P energy: -16.613
tors. eta vs tors. theta energy: -28.005
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -295.920213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.920213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.024379 (E_RNA)
where:
Base-Base interactions energy: -178.417
where: short stacking energy: -108.799
Base-Backbone interact. energy: 0.115
local terms energy: -117.722910
where:
bonds (distance) C4'-P energy: -19.486
bonds (distance) P-C4' energy: -23.628
flat angles C4'-P-C4' energy: -26.790
flat angles P-C4'-P energy: -19.059
tors. eta vs tors. theta energy: -28.760
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: 1
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -265.141778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.141778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.061613 (E_RNA)
where:
Base-Base interactions energy: -169.247
where: short stacking energy: -81.905
Base-Backbone interact. energy: -0.150
local terms energy: -97.664352
where:
bonds (distance) C4'-P energy: -24.342
bonds (distance) P-C4' energy: -18.273
flat angles C4'-P-C4' energy: -21.246
flat angles P-C4'-P energy: -9.367
tors. eta vs tors. theta energy: -24.436
Dist. restrs. and SS energy: 1.920 (S_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: 153
Temperature: 1.050000
Total energy: -271.884300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.884300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.886959 (E_RNA)
where:
Base-Base interactions energy: -162.904
where: short stacking energy: -93.851
Base-Backbone interact. energy: -0.253
local terms energy: -108.730269
where:
bonds (distance) C4'-P energy: -17.395
bonds (distance) P-C4' energy: -25.817
flat angles C4'-P-C4' energy: -25.838
flat angles P-C4'-P energy: -16.420
tors. eta vs tors. theta energy: -23.261
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: 153
Temperature: 1.100000
Total energy: -235.158837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.158837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.334734 (E_RNA)
where:
Base-Base interactions energy: -137.001
where: short stacking energy: -77.269
Base-Backbone interact. energy: 0.165
local terms energy: -98.498390
where:
bonds (distance) C4'-P energy: -21.569
bonds (distance) P-C4' energy: -23.155
flat angles C4'-P-C4' energy: -17.657
flat angles P-C4'-P energy: -14.096
tors. eta vs tors. theta energy: -22.021
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: 6, replica: 4
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -243.696567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.696567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.864299 (E_RNA)
where:
Base-Base interactions energy: -141.153
where: short stacking energy: -77.508
Base-Backbone interact. energy: -0.206
local terms energy: -102.504980
where:
bonds (distance) C4'-P energy: -23.686
bonds (distance) P-C4' energy: -21.592
flat angles C4'-P-C4' energy: -21.125
flat angles P-C4'-P energy: -15.404
tors. eta vs tors. theta energy: -20.698
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: 7, replica: 3
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -226.056837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.056837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.082094 (E_RNA)
where:
Base-Base interactions energy: -139.846
where: short stacking energy: -69.853
Base-Backbone interact. energy: -0.362
local terms energy: -85.874470
where:
bonds (distance) C4'-P energy: -14.887
bonds (distance) P-C4' energy: -23.690
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -17.462
tors. eta vs tors. theta energy: -14.778
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -219.384600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.384600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.489347 (E_RNA)
where:
Base-Base interactions energy: -135.365
where: short stacking energy: -67.015
Base-Backbone interact. energy: -0.263
local terms energy: -83.861387
where:
bonds (distance) C4'-P energy: -18.607
bonds (distance) P-C4' energy: -15.969
flat angles C4'-P-C4' energy: -21.122
flat angles P-C4'-P energy: -12.830
tors. eta vs tors. theta energy: -15.333
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -198.554621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.554621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.292650 (E_RNA)
where:
Base-Base interactions energy: -116.502
where: short stacking energy: -58.899
Base-Backbone interact. energy: -0.126
local terms energy: -82.665185
where:
bonds (distance) C4'-P energy: -18.383
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -20.722
flat angles P-C4'-P energy: -11.465
tors. eta vs tors. theta energy: -15.889
Dist. restrs. and SS energy: 0.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -194.047513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.047513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.174944 (E_RNA)
where:
Base-Base interactions energy: -115.435
where: short stacking energy: -51.368
Base-Backbone interact. energy: -0.211
local terms energy: -78.529069
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -20.793
flat angles C4'-P-C4' energy: -17.950
flat angles P-C4'-P energy: -16.077
tors. eta vs tors. theta energy: -7.885
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: 1, replica: 8
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -288.286289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.286289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.286289 (E_RNA)
where:
Base-Base interactions energy: -178.850
where: short stacking energy: -101.670
Base-Backbone interact. energy: -0.056
local terms energy: -109.380001
where:
bonds (distance) C4'-P energy: -22.381
bonds (distance) P-C4' energy: -25.516
flat angles C4'-P-C4' energy: -23.058
flat angles P-C4'-P energy: -15.839
tors. eta vs tors. theta energy: -22.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -270.127384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.127384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.144669 (E_RNA)
where:
Base-Base interactions energy: -163.052
where: short stacking energy: -88.588
Base-Backbone interact. energy: 0.249
local terms energy: -107.341418
where:
bonds (distance) C4'-P energy: -23.739
bonds (distance) P-C4' energy: -24.716
flat angles C4'-P-C4' energy: -20.669
flat angles P-C4'-P energy: -14.831
tors. eta vs tors. theta energy: -23.386
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: 3, replica: 6
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -282.607221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.607221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.683448 (E_RNA)
where:
Base-Base interactions energy: -178.782
where: short stacking energy: -97.935
Base-Backbone interact. energy: 0.057
local terms energy: -104.958579
where:
bonds (distance) C4'-P energy: -22.792
bonds (distance) P-C4' energy: -17.856
flat angles C4'-P-C4' energy: -24.082
flat angles P-C4'-P energy: -14.814
tors. eta vs tors. theta energy: -25.414
Dist. restrs. and SS energy: 1.076 (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: 1
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -251.362262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.362262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.504171 (E_RNA)
where:
Base-Base interactions energy: -151.707
where: short stacking energy: -87.432
Base-Backbone interact. energy: -0.053
local terms energy: -99.744782
where:
bonds (distance) C4'-P energy: -22.839
bonds (distance) P-C4' energy: -17.359
flat angles C4'-P-C4' energy: -20.239
flat angles P-C4'-P energy: -15.994
tors. eta vs tors. theta energy: -23.314
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: 4
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -244.598711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.598711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.605784 (E_RNA)
where:
Base-Base interactions energy: -155.053
where: short stacking energy: -85.006
Base-Backbone interact. energy: -0.092
local terms energy: -89.460948
where:
bonds (distance) C4'-P energy: -18.429
bonds (distance) P-C4' energy: -23.618
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -19.456
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: 9
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -228.142774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.142774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.219052 (E_RNA)
where:
Base-Base interactions energy: -145.359
where: short stacking energy: -67.126
Base-Backbone interact. energy: 2.961
local terms energy: -85.820876
where:
bonds (distance) C4'-P energy: -20.993
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -21.454
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -14.722
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: 154
Temperature: 1.200000
Total energy: -242.181335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.181335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.225513 (E_RNA)
where:
Base-Base interactions energy: -152.423
where: short stacking energy: -86.323
Base-Backbone interact. energy: -0.083
local terms energy: -89.719397
where:
bonds (distance) C4'-P energy: -17.997
bonds (distance) P-C4' energy: -18.441
flat angles C4'-P-C4' energy: -18.007
flat angles P-C4'-P energy: -16.147
tors. eta vs tors. theta energy: -19.127
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: 3
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -224.192621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.192621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.201714 (E_RNA)
where:
Base-Base interactions energy: -143.802
where: short stacking energy: -65.135
Base-Backbone interact. energy: -1.344
local terms energy: -79.055007
where:
bonds (distance) C4'-P energy: -19.442
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -17.532
flat angles P-C4'-P energy: -14.575
tors. eta vs tors. theta energy: -9.366
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: 154
Temperature: 1.300000
Total energy: -215.842249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.842249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.202198 (E_RNA)
where:
Base-Base interactions energy: -136.299
where: short stacking energy: -74.884
Base-Backbone interact. energy: -0.253
local terms energy: -79.650097
where:
bonds (distance) C4'-P energy: -18.441
bonds (distance) P-C4' energy: -20.674
flat angles C4'-P-C4' energy: -20.097
flat angles P-C4'-P energy: -3.074
tors. eta vs tors. theta energy: -17.364
Dist. restrs. and SS energy: 0.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -194.514537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.514537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.582506 (E_RNA)
where:
Base-Base interactions energy: -119.524
where: short stacking energy: -54.386
Base-Backbone interact. energy: 0.964
local terms energy: -76.023070
where:
bonds (distance) C4'-P energy: -21.453
bonds (distance) P-C4' energy: -24.005
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: -7.077
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: 8
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -306.905086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.905086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.123614 (E_RNA)
where:
Base-Base interactions energy: -186.792
where: short stacking energy: -101.340
Base-Backbone interact. energy: -0.639
local terms energy: -119.692326
where:
bonds (distance) C4'-P energy: -19.359
bonds (distance) P-C4' energy: -23.178
flat angles C4'-P-C4' energy: -25.821
flat angles P-C4'-P energy: -18.343
tors. eta vs tors. theta energy: -32.991
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: 10
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -309.463944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.463944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.491900 (E_RNA)
where:
Base-Base interactions energy: -187.630
where: short stacking energy: -117.399
Base-Backbone interact. energy: -0.003
local terms energy: -121.859644
where:
bonds (distance) C4'-P energy: -23.330
bonds (distance) P-C4' energy: -21.599
flat angles C4'-P-C4' energy: -23.528
flat angles P-C4'-P energy: -17.298
tors. eta vs tors. theta energy: -36.105
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: 6
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -272.448379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.448379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.214618 (E_RNA)
where:
Base-Base interactions energy: -175.884
where: short stacking energy: -89.343
Base-Backbone interact. energy: -0.333
local terms energy: -97.998091
where:
bonds (distance) C4'-P energy: -22.822
bonds (distance) P-C4' energy: -20.927
flat angles C4'-P-C4' energy: -22.346
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -23.187
Dist. restrs. and SS energy: 1.766 (S_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: 155
Temperature: 1.050000
Total energy: -249.878534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.878534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.962233 (E_RNA)
where:
Base-Base interactions energy: -158.983
where: short stacking energy: -81.462
Base-Backbone interact. energy: -1.126
local terms energy: -91.854100
where:
bonds (distance) C4'-P energy: -16.753
bonds (distance) P-C4' energy: -18.732
flat angles C4'-P-C4' energy: -20.859
flat angles P-C4'-P energy: -13.670
tors. eta vs tors. theta energy: -21.839
Dist. restrs. and SS energy: 2.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -252.701641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.701641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.006792 (E_RNA)
where:
Base-Base interactions energy: -154.609
where: short stacking energy: -82.437
Base-Backbone interact. energy: -0.132
local terms energy: -98.265299
where:
bonds (distance) C4'-P energy: -23.772
bonds (distance) P-C4' energy: -18.922
flat angles C4'-P-C4' energy: -23.168
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -23.121
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: 9
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -226.858864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.858864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.030533 (E_RNA)
where:
Base-Base interactions energy: -138.866
where: short stacking energy: -73.497
Base-Backbone interact. energy: -0.445
local terms energy: -87.719027
where:
bonds (distance) C4'-P energy: -21.872
bonds (distance) P-C4' energy: -21.791
flat angles C4'-P-C4' energy: -16.939
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -15.555
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: 5
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -236.915394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.915394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.915394 (E_RNA)
where:
Base-Base interactions energy: -142.092
where: short stacking energy: -82.593
Base-Backbone interact. energy: -0.086
local terms energy: -94.737726
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -23.877
flat angles C4'-P-C4' energy: -18.928
flat angles P-C4'-P energy: -15.469
tors. eta vs tors. theta energy: -21.912
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -236.569439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.569439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.415785 (E_RNA)
where:
Base-Base interactions energy: -149.936
where: short stacking energy: -80.351
Base-Backbone interact. energy: -0.078
local terms energy: -88.401737
where:
bonds (distance) C4'-P energy: -14.829
bonds (distance) P-C4' energy: -22.627
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -26.241
Dist. restrs. and SS energy: 1.846 (S_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: 155
Temperature: 1.300000
Total energy: -197.362253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.362253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.499266 (E_RNA)
where:
Base-Base interactions energy: -126.728
where: short stacking energy: -63.189
Base-Backbone interact. energy: -0.538
local terms energy: -70.233124
where:
bonds (distance) C4'-P energy: -17.039
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -18.997
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -9.297
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: 10, replica: 7
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -186.244265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.244265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.368272 (E_RNA)
where:
Base-Base interactions energy: -115.989
where: short stacking energy: -60.841
Base-Backbone interact. energy: -0.896
local terms energy: -69.483357
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -10.028
flat angles C4'-P-C4' energy: -17.657
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -15.502
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: 1, replica: 8
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -301.255694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.255694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.473612 (E_RNA)
where:
Base-Base interactions energy: -189.482
where: short stacking energy: -115.728
Base-Backbone interact. energy: 0.277
local terms energy: -112.268211
where:
bonds (distance) C4'-P energy: -22.146
bonds (distance) P-C4' energy: -21.988
flat angles C4'-P-C4' energy: -22.579
flat angles P-C4'-P energy: -13.973
tors. eta vs tors. theta energy: -31.582
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: 2, replica: 10
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -298.832240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.832240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.902955 (E_RNA)
where:
Base-Base interactions energy: -186.421
where: short stacking energy: -114.085
Base-Backbone interact. energy: 0.529
local terms energy: -113.010350
where:
bonds (distance) C4'-P energy: -19.826
bonds (distance) P-C4' energy: -22.961
flat angles C4'-P-C4' energy: -22.238
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -36.722
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: 156
Temperature: 1.000000
Total energy: -259.039567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.039567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.092595 (E_RNA)
where:
Base-Base interactions energy: -161.346
where: short stacking energy: -89.480
Base-Backbone interact. energy: -0.066
local terms energy: -97.680783
where:
bonds (distance) C4'-P energy: -23.096
bonds (distance) P-C4' energy: -19.996
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -14.214
tors. eta vs tors. theta energy: -25.016
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: 4
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -262.008682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.008682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.636072 (E_RNA)
where:
Base-Base interactions energy: -162.005
where: short stacking energy: -78.139
Base-Backbone interact. energy: -0.204
local terms energy: -101.427307
where:
bonds (distance) C4'-P energy: -19.145
bonds (distance) P-C4' energy: -26.774
flat angles C4'-P-C4' energy: -23.348
flat angles P-C4'-P energy: -14.254
tors. eta vs tors. theta energy: -17.906
Dist. restrs. and SS energy: 1.627 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -232.960099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.960099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.974629 (E_RNA)
where:
Base-Base interactions energy: -141.195
where: short stacking energy: -78.498
Base-Backbone interact. energy: 0.895
local terms energy: -92.674809
where:
bonds (distance) C4'-P energy: -19.006
bonds (distance) P-C4' energy: -20.085
flat angles C4'-P-C4' energy: -25.397
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -16.331
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: 1
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -232.287341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.287341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.301977 (E_RNA)
where:
Base-Base interactions energy: -141.851
where: short stacking energy: -73.514
Base-Backbone interact. energy: -0.347
local terms energy: -90.104307
where:
bonds (distance) C4'-P energy: -20.032
bonds (distance) P-C4' energy: -23.875
flat angles C4'-P-C4' energy: -16.867
flat angles P-C4'-P energy: -13.496
tors. eta vs tors. theta energy: -15.834
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: 3
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -221.428220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.428220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.103967 (E_RNA)
where:
Base-Base interactions energy: -139.467
where: short stacking energy: -72.717
Base-Backbone interact. energy: -1.268
local terms energy: -81.369211
where:
bonds (distance) C4'-P energy: -16.551
bonds (distance) P-C4' energy: -20.555
flat angles C4'-P-C4' energy: -21.179
flat angles P-C4'-P energy: -7.049
tors. eta vs tors. theta energy: -16.035
Dist. restrs. and SS energy: 0.676 (S_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: 156
Temperature: 1.250000
Total energy: -201.499313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.499313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.644784 (E_RNA)
where:
Base-Base interactions energy: -130.565
where: short stacking energy: -68.497
Base-Backbone interact. energy: -0.281
local terms energy: -70.798810
where:
bonds (distance) C4'-P energy: -15.599
bonds (distance) P-C4' energy: -20.868
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -10.631
tors. eta vs tors. theta energy: -8.522
Dist. restrs. and SS energy: 0.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -212.436507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.436507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.593053 (E_RNA)
where:
Base-Base interactions energy: -125.330
where: short stacking energy: -61.137
Base-Backbone interact. energy: -0.451
local terms energy: -86.811955
where:
bonds (distance) C4'-P energy: -18.022
bonds (distance) P-C4' energy: -20.869
flat angles C4'-P-C4' energy: -21.252
flat angles P-C4'-P energy: -11.802
tors. eta vs tors. theta energy: -14.866
Dist. restrs. and SS energy: 0.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -184.304437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.304437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.701074 (E_RNA)
where:
Base-Base interactions energy: -112.749
where: short stacking energy: -49.872
Base-Backbone interact. energy: -0.678
local terms energy: -71.274583
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -21.083
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -8.780
Dist. restrs. and SS energy: 0.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -318.146606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.146606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.206883 (E_RNA)
where:
Base-Base interactions energy: -191.495
where: short stacking energy: -115.414
Base-Backbone interact. energy: -0.252
local terms energy: -126.460499
where:
bonds (distance) C4'-P energy: -17.492
bonds (distance) P-C4' energy: -26.198
flat angles C4'-P-C4' energy: -27.058
flat angles P-C4'-P energy: -19.060
tors. eta vs tors. theta energy: -36.652
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: 10
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -304.200417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.200417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.232427 (E_RNA)
where:
Base-Base interactions energy: -187.137
where: short stacking energy: -114.431
Base-Backbone interact. energy: -0.066
local terms energy: -117.029951
where:
bonds (distance) C4'-P energy: -23.510
bonds (distance) P-C4' energy: -24.744
flat angles C4'-P-C4' energy: -20.148
flat angles P-C4'-P energy: -17.047
tors. eta vs tors. theta energy: -31.581
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -255.817289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.817289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.870552 (E_RNA)
where:
Base-Base interactions energy: -148.577
where: short stacking energy: -84.608
Base-Backbone interact. energy: 0.595
local terms energy: -107.889283
where:
bonds (distance) C4'-P energy: -22.114
bonds (distance) P-C4' energy: -24.307
flat angles C4'-P-C4' energy: -21.469
flat angles P-C4'-P energy: -13.892
tors. eta vs tors. theta energy: -26.107
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: 4
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -244.041982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.041982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.121910 (E_RNA)
where:
Base-Base interactions energy: -157.360
where: short stacking energy: -93.583
Base-Backbone interact. energy: 0.564
local terms energy: -87.326446
where:
bonds (distance) C4'-P energy: -17.789
bonds (distance) P-C4' energy: -21.280
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: -19.768
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: 9
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -225.069420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.069420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.086932 (E_RNA)
where:
Base-Base interactions energy: -141.762
where: short stacking energy: -71.518
Base-Backbone interact. energy: -0.126
local terms energy: -83.198633
where:
bonds (distance) C4'-P energy: -16.474
bonds (distance) P-C4' energy: -18.968
flat angles C4'-P-C4' energy: -21.083
flat angles P-C4'-P energy: -15.773
tors. eta vs tors. theta energy: -10.901
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -249.129542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.129542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.632881 (E_RNA)
where:
Base-Base interactions energy: -145.222
where: short stacking energy: -79.661
Base-Backbone interact. energy: -0.124
local terms energy: -104.286631
where:
bonds (distance) C4'-P energy: -24.284
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -20.439
flat angles P-C4'-P energy: -15.167
tors. eta vs tors. theta energy: -28.742
Dist. restrs. and SS energy: 0.503 (S_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: 157
Temperature: 1.200000
Total energy: -251.697157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.697157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.715531 (E_RNA)
where:
Base-Base interactions energy: -150.938
where: short stacking energy: -84.508
Base-Backbone interact. energy: -0.297
local terms energy: -100.480147
where:
bonds (distance) C4'-P energy: -18.859
bonds (distance) P-C4' energy: -24.733
flat angles C4'-P-C4' energy: -21.011
flat angles P-C4'-P energy: -15.331
tors. eta vs tors. theta energy: -20.546
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: 8, replica: 7
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -202.411967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.411967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.480961 (E_RNA)
where:
Base-Base interactions energy: -127.176
where: short stacking energy: -69.456
Base-Backbone interact. energy: -0.358
local terms energy: -74.947249
where:
bonds (distance) C4'-P energy: -12.030
bonds (distance) P-C4' energy: -17.996
flat angles C4'-P-C4' energy: -20.973
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -11.448
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -201.886592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.886592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.058909 (E_RNA)
where:
Base-Base interactions energy: -116.877
where: short stacking energy: -51.074
Base-Backbone interact. energy: 0.756
local terms energy: -85.938131
where:
bonds (distance) C4'-P energy: -23.210
bonds (distance) P-C4' energy: -17.060
flat angles C4'-P-C4' energy: -19.877
flat angles P-C4'-P energy: -15.285
tors. eta vs tors. theta energy: -10.505
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: 10, replica: 2
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -206.038200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.038200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.234505 (E_RNA)
where:
Base-Base interactions energy: -134.251
where: short stacking energy: -58.327
Base-Backbone interact. energy: -0.399
local terms energy: -71.583879
where:
bonds (distance) C4'-P energy: -18.819
bonds (distance) P-C4' energy: -20.604
flat angles C4'-P-C4' energy: -8.941
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -10.912
Dist. restrs. and SS energy: 0.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -309.689007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.689007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.699675 (E_RNA)
where:
Base-Base interactions energy: -187.263
where: short stacking energy: -108.613
Base-Backbone interact. energy: -0.055
local terms energy: -122.381609
where:
bonds (distance) C4'-P energy: -24.810
bonds (distance) P-C4' energy: -23.816
flat angles C4'-P-C4' energy: -22.069
flat angles P-C4'-P energy: -15.488
tors. eta vs tors. theta energy: -36.199
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: 10
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -299.218590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.218590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.379712 (E_RNA)
where:
Base-Base interactions energy: -190.547
where: short stacking energy: -113.361
Base-Backbone interact. energy: -0.019
local terms energy: -108.813261
where:
bonds (distance) C4'-P energy: -17.256
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -24.133
flat angles P-C4'-P energy: -15.049
tors. eta vs tors. theta energy: -33.495
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: 4
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -286.677812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.677812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.697828 (E_RNA)
where:
Base-Base interactions energy: -178.750
where: short stacking energy: -92.126
Base-Backbone interact. energy: -0.379
local terms energy: -107.568307
where:
bonds (distance) C4'-P energy: -25.208
bonds (distance) P-C4' energy: -20.893
flat angles C4'-P-C4' energy: -21.712
flat angles P-C4'-P energy: -17.035
tors. eta vs tors. theta energy: -22.719
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: 6
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -282.202060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.202060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.206320 (E_RNA)
where:
Base-Base interactions energy: -174.907
where: short stacking energy: -94.546
Base-Backbone interact. energy: -0.158
local terms energy: -107.142210
where:
bonds (distance) C4'-P energy: -21.558
bonds (distance) P-C4' energy: -20.268
flat angles C4'-P-C4' energy: -25.890
flat angles P-C4'-P energy: -14.326
tors. eta vs tors. theta energy: -25.101
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: 158
Temperature: 1.100000
Total energy: -259.779731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.779731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.253997 (E_RNA)
where:
Base-Base interactions energy: -168.961
where: short stacking energy: -88.878
Base-Backbone interact. energy: -0.121
local terms energy: -91.171548
where:
bonds (distance) C4'-P energy: -21.060
bonds (distance) P-C4' energy: -18.222
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -15.671
tors. eta vs tors. theta energy: -20.703
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: 6, replica: 9
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -219.989378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.989378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.011585 (E_RNA)
where:
Base-Base interactions energy: -131.253
where: short stacking energy: -64.492
Base-Backbone interact. energy: -0.469
local terms energy: -88.289676
where:
bonds (distance) C4'-P energy: -17.793
bonds (distance) P-C4' energy: -19.885
flat angles C4'-P-C4' energy: -22.643
flat angles P-C4'-P energy: -15.611
tors. eta vs tors. theta energy: -12.357
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: 158
Temperature: 1.200000
Total energy: -217.667333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.667333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.676595 (E_RNA)
where:
Base-Base interactions energy: -126.998
where: short stacking energy: -58.665
Base-Backbone interact. energy: -0.010
local terms energy: -90.668577
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -21.417
flat angles C4'-P-C4' energy: -22.980
flat angles P-C4'-P energy: -13.149
tors. eta vs tors. theta energy: -16.840
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -234.145596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.145596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.351780 (E_RNA)
where:
Base-Base interactions energy: -145.874
where: short stacking energy: -72.558
Base-Backbone interact. energy: -0.855
local terms energy: -87.623157
where:
bonds (distance) C4'-P energy: -17.289
bonds (distance) P-C4' energy: -22.157
flat angles C4'-P-C4' energy: -19.430
flat angles P-C4'-P energy: -11.705
tors. eta vs tors. theta energy: -17.042
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: 2
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -205.813022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.813022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.859964 (E_RNA)
where:
Base-Base interactions energy: -114.924
where: short stacking energy: -56.216
Base-Backbone interact. energy: -0.063
local terms energy: -90.873181
where:
bonds (distance) C4'-P energy: -23.412
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -22.293
flat angles P-C4'-P energy: -14.888
tors. eta vs tors. theta energy: -11.890
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -202.911325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.911325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.981399 (E_RNA)
where:
Base-Base interactions energy: -125.382
where: short stacking energy: -68.917
Base-Backbone interact. energy: -0.222
local terms energy: -77.377512
where:
bonds (distance) C4'-P energy: -14.722
bonds (distance) P-C4' energy: -23.564
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -4.367
tors. eta vs tors. theta energy: -18.419
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: 8
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -301.831420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.831420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.831420 (E_RNA)
where:
Base-Base interactions energy: -181.661
where: short stacking energy: -112.093
Base-Backbone interact. energy: -0.002
local terms energy: -120.168335
where:
bonds (distance) C4'-P energy: -22.222
bonds (distance) P-C4' energy: -23.677
flat angles C4'-P-C4' energy: -23.871
flat angles P-C4'-P energy: -18.150
tors. eta vs tors. theta energy: -32.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -311.061394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.061394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.085029 (E_RNA)
where:
Base-Base interactions energy: -202.539
where: short stacking energy: -115.415
Base-Backbone interact. energy: -0.008
local terms energy: -108.538473
where:
bonds (distance) C4'-P energy: -20.206
bonds (distance) P-C4' energy: -19.913
flat angles C4'-P-C4' energy: -20.221
flat angles P-C4'-P energy: -18.030
tors. eta vs tors. theta energy: -30.168
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: 10
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -272.076908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.076908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.170116 (E_RNA)
where:
Base-Base interactions energy: -168.853
where: short stacking energy: -96.738
Base-Backbone interact. energy: -0.038
local terms energy: -103.279429
where:
bonds (distance) C4'-P energy: -21.924
bonds (distance) P-C4' energy: -23.258
flat angles C4'-P-C4' energy: -20.224
flat angles P-C4'-P energy: -12.591
tors. eta vs tors. theta energy: -25.283
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: 1
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -264.544861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.544861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.827363 (E_RNA)
where:
Base-Base interactions energy: -160.114
where: short stacking energy: -90.644
Base-Backbone interact. energy: -0.128
local terms energy: -104.585354
where:
bonds (distance) C4'-P energy: -22.103
bonds (distance) P-C4' energy: -20.489
flat angles C4'-P-C4' energy: -21.695
flat angles P-C4'-P energy: -15.182
tors. eta vs tors. theta energy: -25.116
Dist. restrs. and SS energy: 0.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -285.969740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.969740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.985417 (E_RNA)
where:
Base-Base interactions energy: -186.406
where: short stacking energy: -88.564
Base-Backbone interact. energy: -0.016
local terms energy: -99.563739
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -20.304
flat angles C4'-P-C4' energy: -24.038
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -27.512
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -240.408762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.408762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.417860 (E_RNA)
where:
Base-Base interactions energy: -138.297
where: short stacking energy: -76.254
Base-Backbone interact. energy: -0.047
local terms energy: -102.073237
where:
bonds (distance) C4'-P energy: -21.954
bonds (distance) P-C4' energy: -24.552
flat angles C4'-P-C4' energy: -20.510
flat angles P-C4'-P energy: -15.499
tors. eta vs tors. theta energy: -19.559
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -225.555253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.555253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.330424 (E_RNA)
where:
Base-Base interactions energy: -143.279
where: short stacking energy: -69.318
Base-Backbone interact. energy: 0.603
local terms energy: -83.654188
where:
bonds (distance) C4'-P energy: -15.144
bonds (distance) P-C4' energy: -23.408
flat angles C4'-P-C4' energy: -18.175
flat angles P-C4'-P energy: -12.945
tors. eta vs tors. theta energy: -13.983
Dist. restrs. and SS energy: 0.775 (S_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: 159
Temperature: 1.250000
Total energy: -221.715971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.715971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.056181 (E_RNA)
where:
Base-Base interactions energy: -136.095
where: short stacking energy: -69.069
Base-Backbone interact. energy: -1.176
local terms energy: -84.785109
where:
bonds (distance) C4'-P energy: -19.305
bonds (distance) P-C4' energy: -20.695
flat angles C4'-P-C4' energy: -17.431
flat angles P-C4'-P energy: -13.537
tors. eta vs tors. theta energy: -13.816
Dist. restrs. and SS energy: 0.340 (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: 2
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -214.662245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.662245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.005335 (E_RNA)
where:
Base-Base interactions energy: -135.429
where: short stacking energy: -68.354
Base-Backbone interact. energy: -0.166
local terms energy: -79.410280
where:
bonds (distance) C4'-P energy: -14.125
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -17.753
flat angles P-C4'-P energy: -13.328
tors. eta vs tors. theta energy: -18.157
Dist. restrs. and SS energy: 0.343 (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: 159
Temperature: 1.350000
Total energy: -203.881642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.881642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.916697 (E_RNA)
where:
Base-Base interactions energy: -125.425
where: short stacking energy: -59.933
Base-Backbone interact. energy: -0.551
local terms energy: -77.940674
where:
bonds (distance) C4'-P energy: -17.895
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -18.382
flat angles P-C4'-P energy: -11.968
tors. eta vs tors. theta energy: -12.483
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: 8
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -299.308557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.308557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.387052 (E_RNA)
where:
Base-Base interactions energy: -180.848
where: short stacking energy: -108.575
Base-Backbone interact. energy: -0.349
local terms energy: -118.189502
where:
bonds (distance) C4'-P energy: -22.423
bonds (distance) P-C4' energy: -22.526
flat angles C4'-P-C4' energy: -21.872
flat angles P-C4'-P energy: -17.866
tors. eta vs tors. theta energy: -33.502
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: 4
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -295.329140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.329140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.357220 (E_RNA)
where:
Base-Base interactions energy: -176.516
where: short stacking energy: -101.379
Base-Backbone interact. energy: -0.650
local terms energy: -118.190986
where:
bonds (distance) C4'-P energy: -25.274
bonds (distance) P-C4' energy: -24.631
flat angles C4'-P-C4' energy: -24.853
flat angles P-C4'-P energy: -17.850
tors. eta vs tors. theta energy: -25.582
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: 10
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -276.254027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.254027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.449297 (E_RNA)
where:
Base-Base interactions energy: -179.927
where: short stacking energy: -98.695
Base-Backbone interact. energy: 0.271
local terms energy: -96.793041
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -21.492
flat angles P-C4'-P energy: -14.546
tors. eta vs tors. theta energy: -26.880
Dist. restrs. and SS energy: 0.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -263.915140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.915140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.034731 (E_RNA)
where:
Base-Base interactions energy: -160.787
where: short stacking energy: -89.306
Base-Backbone interact. energy: -0.624
local terms energy: -103.623527
where:
bonds (distance) C4'-P energy: -18.971
bonds (distance) P-C4' energy: -19.899
flat angles C4'-P-C4' energy: -23.501
flat angles P-C4'-P energy: -16.514
tors. eta vs tors. theta energy: -24.739
Dist. restrs. and SS energy: 1.120 (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: 6
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -273.171743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.171743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.413375 (E_RNA)
where:
Base-Base interactions energy: -173.090
where: short stacking energy: -89.641
Base-Backbone interact. energy: -0.222
local terms energy: -100.101518
where:
bonds (distance) C4'-P energy: -11.770
bonds (distance) P-C4' energy: -23.210
flat angles C4'-P-C4' energy: -24.352
flat angles P-C4'-P energy: -17.848
tors. eta vs tors. theta energy: -22.922
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: 6, replica: 9
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -244.194511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.194511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.274032 (E_RNA)
where:
Base-Base interactions energy: -143.094
where: short stacking energy: -68.010
Base-Backbone interact. energy: 0.334
local terms energy: -101.513998
where:
bonds (distance) C4'-P energy: -18.643
bonds (distance) P-C4' energy: -23.680
flat angles C4'-P-C4' energy: -23.168
flat angles P-C4'-P energy: -16.788
tors. eta vs tors. theta energy: -19.236
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -220.883787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.883787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.891135 (E_RNA)
where:
Base-Base interactions energy: -139.787
where: short stacking energy: -68.579
Base-Backbone interact. energy: 1.745
local terms energy: -82.848728
where:
bonds (distance) C4'-P energy: -18.158
bonds (distance) P-C4' energy: -23.514
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -14.419
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: 7
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -211.210807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.210807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.714554 (E_RNA)
where:
Base-Base interactions energy: -130.997
where: short stacking energy: -55.319
Base-Backbone interact. energy: -0.357
local terms energy: -81.360306
where:
bonds (distance) C4'-P energy: -21.906
bonds (distance) P-C4' energy: -22.544
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -14.982
tors. eta vs tors. theta energy: -7.612
Dist. restrs. and SS energy: 1.504 (S_DIST_RNA)
chem. 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: -213.968109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.968109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.225252 (E_RNA)
where:
Base-Base interactions energy: -125.069
where: short stacking energy: -65.252
Base-Backbone interact. energy: -0.039
local terms energy: -89.117778
where:
bonds (distance) C4'-P energy: -24.442
bonds (distance) P-C4' energy: -18.377
flat angles C4'-P-C4' energy: -19.354
flat angles P-C4'-P energy: -14.382
tors. eta vs tors. theta energy: -12.562
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: 10, replica: 2
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -200.762847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.762847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.978800 (E_RNA)
where:
Base-Base interactions energy: -114.614
where: short stacking energy: -52.758
Base-Backbone interact. energy: -0.226
local terms energy: -86.139268
where:
bonds (distance) C4'-P energy: -20.391
bonds (distance) P-C4' energy: -19.592
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -17.917
tors. eta vs tors. theta energy: -15.434
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: 1, replica: 8
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -292.413288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.413288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.431561 (E_RNA)
where:
Base-Base interactions energy: -181.358
where: short stacking energy: -108.009
Base-Backbone interact. energy: -0.210
local terms energy: -110.863372
where:
bonds (distance) C4'-P energy: -20.493
bonds (distance) P-C4' energy: -20.052
flat angles C4'-P-C4' energy: -26.477
flat angles P-C4'-P energy: -13.905
tors. eta vs tors. theta energy: -29.938
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: 10
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -286.981113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.981113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.996132 (E_RNA)
where:
Base-Base interactions energy: -177.502
where: short stacking energy: -106.290
Base-Backbone interact. energy: -0.234
local terms energy: -109.259479
where:
bonds (distance) C4'-P energy: -15.528
bonds (distance) P-C4' energy: -21.720
flat angles C4'-P-C4' energy: -22.933
flat angles P-C4'-P energy: -17.306
tors. eta vs tors. theta energy: -31.772
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: 4
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -266.500230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.500230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.516592 (E_RNA)
where:
Base-Base interactions energy: -170.670
where: short stacking energy: -94.925
Base-Backbone interact. energy: -1.335
local terms energy: -94.510940
where:
bonds (distance) C4'-P energy: -19.832
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -22.628
flat angles P-C4'-P energy: -14.320
tors. eta vs tors. theta energy: -22.004
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: 161
Temperature: 1.050000
Total energy: -282.172818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.172818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.349752 (E_RNA)
where:
Base-Base interactions energy: -186.789
where: short stacking energy: -96.666
Base-Backbone interact. energy: -0.264
local terms energy: -95.297239
where:
bonds (distance) C4'-P energy: -22.448
bonds (distance) P-C4' energy: -12.794
flat angles C4'-P-C4' energy: -23.017
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -24.777
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: 5, replica: 1
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -245.786036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.786036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.981013 (E_RNA)
where:
Base-Base interactions energy: -137.589
where: short stacking energy: -76.187
Base-Backbone interact. energy: -0.685
local terms energy: -107.707129
where:
bonds (distance) C4'-P energy: -23.904
bonds (distance) P-C4' energy: -21.947
flat angles C4'-P-C4' energy: -18.843
flat angles P-C4'-P energy: -18.496
tors. eta vs tors. theta energy: -24.518
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: 6, replica: 3
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -227.942363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.942363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.993109 (E_RNA)
where:
Base-Base interactions energy: -146.749
where: short stacking energy: -75.662
Base-Backbone interact. energy: 1.425
local terms energy: -82.668904
where:
bonds (distance) C4'-P energy: -16.360
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -19.783
flat angles P-C4'-P energy: -14.540
tors. eta vs tors. theta energy: -14.793
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: 9
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -237.022750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.022750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.505103 (E_RNA)
where:
Base-Base interactions energy: -144.306
where: short stacking energy: -72.177
Base-Backbone interact. energy: -0.278
local terms energy: -94.921410
where:
bonds (distance) C4'-P energy: -22.001
bonds (distance) P-C4' energy: -20.900
flat angles C4'-P-C4' energy: -20.679
flat angles P-C4'-P energy: -15.129
tors. eta vs tors. theta energy: -16.213
Dist. restrs. and SS energy: 2.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -213.573711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.573711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.649033 (E_RNA)
where:
Base-Base interactions energy: -130.300
where: short stacking energy: -59.836
Base-Backbone interact. energy: -1.124
local terms energy: -82.224257
where:
bonds (distance) C4'-P energy: -21.677
bonds (distance) P-C4' energy: -17.565
flat angles C4'-P-C4' energy: -20.825
flat angles P-C4'-P energy: -12.201
tors. eta vs tors. theta energy: -9.956
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: 7
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -211.832478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.832478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.785371 (E_RNA)
where:
Base-Base interactions energy: -123.253
where: short stacking energy: -55.876
Base-Backbone interact. energy: 0.040
local terms energy: -89.573106
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -20.352
flat angles C4'-P-C4' energy: -19.087
flat angles P-C4'-P energy: -15.939
tors. eta vs tors. theta energy: -17.585
Dist. restrs. and SS energy: 0.953 (S_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: 161
Temperature: 1.350000
Total energy: -199.973610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.973610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.231998 (E_RNA)
where:
Base-Base interactions energy: -133.903
where: short stacking energy: -60.147
Base-Backbone interact. energy: -0.170
local terms energy: -70.159759
where:
bonds (distance) C4'-P energy: -15.050
bonds (distance) P-C4' energy: -17.487
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -13.016
tors. eta vs tors. theta energy: -12.002
Dist. restrs. and SS energy: 4.258 (S_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: 162
Temperature: 0.900000
Total energy: -303.952684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.952684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.369822 (E_RNA)
where:
Base-Base interactions energy: -189.731
where: short stacking energy: -110.155
Base-Backbone interact. energy: -0.093
local terms energy: -115.546197
where:
bonds (distance) C4'-P energy: -16.176
bonds (distance) P-C4' energy: -22.515
flat angles C4'-P-C4' energy: -26.720
flat angles P-C4'-P energy: -16.972
tors. eta vs tors. theta energy: -33.162
Dist. restrs. and SS energy: 1.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -267.363677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.363677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.378350 (E_RNA)
where:
Base-Base interactions energy: -163.246
where: short stacking energy: -83.025
Base-Backbone interact. energy: -0.044
local terms energy: -104.087833
where:
bonds (distance) C4'-P energy: -21.230
bonds (distance) P-C4' energy: -21.339
flat angles C4'-P-C4' energy: -20.207
flat angles P-C4'-P energy: -18.416
tors. eta vs tors. theta energy: -22.895
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: 4
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -278.174338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.174338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.412185 (E_RNA)
where:
Base-Base interactions energy: -179.622
where: short stacking energy: -95.123
Base-Backbone interact. energy: 0.887
local terms energy: -99.677169
where:
bonds (distance) C4'-P energy: -23.355
bonds (distance) P-C4' energy: -22.213
flat angles C4'-P-C4' energy: -19.995
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -21.681
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: 4, replica: 6
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -264.951599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.951599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.051040 (E_RNA)
where:
Base-Base interactions energy: -153.256
where: short stacking energy: -83.649
Base-Backbone interact. energy: -0.008
local terms energy: -111.786691
where:
bonds (distance) C4'-P energy: -24.241
bonds (distance) P-C4' energy: -21.945
flat angles C4'-P-C4' energy: -22.931
flat angles P-C4'-P energy: -17.204
tors. eta vs tors. theta energy: -25.465
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -242.364533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.364533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.366313 (E_RNA)
where:
Base-Base interactions energy: -140.159
where: short stacking energy: -73.121
Base-Backbone interact. energy: -0.817
local terms energy: -101.389749
where:
bonds (distance) C4'-P energy: -20.665
bonds (distance) P-C4' energy: -25.434
flat angles C4'-P-C4' energy: -17.187
flat angles P-C4'-P energy: -17.521
tors. eta vs tors. theta energy: -20.582
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: 162
Temperature: 1.150000
Total energy: -234.825420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.825420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.121296 (E_RNA)
where:
Base-Base interactions energy: -138.749
where: short stacking energy: -76.860
Base-Backbone interact. energy: -0.022
local terms energy: -96.350583
where:
bonds (distance) C4'-P energy: -23.449
bonds (distance) P-C4' energy: -19.405
flat angles C4'-P-C4' energy: -23.414
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -20.682
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: 162
Temperature: 1.200000
Total energy: -202.676504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.676504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.735228 (E_RNA)
where:
Base-Base interactions energy: -125.398
where: short stacking energy: -62.995
Base-Backbone interact. energy: -0.361
local terms energy: -76.975642
where:
bonds (distance) C4'-P energy: -15.466
bonds (distance) P-C4' energy: -19.064
flat angles C4'-P-C4' energy: -20.755
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -10.955
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -224.003348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.003348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.212098 (E_RNA)
where:
Base-Base interactions energy: -129.904
where: short stacking energy: -58.739
Base-Backbone interact. energy: 0.336
local terms energy: -94.644280
where:
bonds (distance) C4'-P energy: -21.320
bonds (distance) P-C4' energy: -18.513
flat angles C4'-P-C4' energy: -20.652
flat angles P-C4'-P energy: -19.802
tors. eta vs tors. theta energy: -14.357
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: 9, replica: 7
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -207.843778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.843778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.213348 (E_RNA)
where:
Base-Base interactions energy: -123.179
where: short stacking energy: -55.377
Base-Backbone interact. energy: -0.259
local terms energy: -85.775652
where:
bonds (distance) C4'-P energy: -19.320
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -20.872
flat angles P-C4'-P energy: -16.260
tors. eta vs tors. theta energy: -11.758
Dist. restrs. and SS energy: 1.370 (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: 2
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -206.847823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.847823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.024340 (E_RNA)
where:
Base-Base interactions energy: -131.409
where: short stacking energy: -61.980
Base-Backbone interact. energy: -0.083
local terms energy: -75.532106
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -16.352
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -11.593
tors. eta vs tors. theta energy: -16.779
Dist. restrs. and SS energy: 0.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -307.035788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.035788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.107163 (E_RNA)
where:
Base-Base interactions energy: -194.163
where: short stacking energy: -110.472
Base-Backbone interact. energy: -0.050
local terms energy: -112.894547
where:
bonds (distance) C4'-P energy: -20.649
bonds (distance) P-C4' energy: -20.564
flat angles C4'-P-C4' energy: -22.323
flat angles P-C4'-P energy: -17.580
tors. eta vs tors. theta energy: -31.778
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: 4
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -302.091072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.091072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.225995 (E_RNA)
where:
Base-Base interactions energy: -187.468
where: short stacking energy: -99.660
Base-Backbone interact. energy: -0.163
local terms energy: -114.595257
where:
bonds (distance) C4'-P energy: -22.546
bonds (distance) P-C4' energy: -24.199
flat angles C4'-P-C4' energy: -21.259
flat angles P-C4'-P energy: -18.910
tors. eta vs tors. theta energy: -27.681
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: 10
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -264.288805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.288805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.875426 (E_RNA)
where:
Base-Base interactions energy: -158.245
where: short stacking energy: -83.713
Base-Backbone interact. energy: -0.123
local terms energy: -106.507184
where:
bonds (distance) C4'-P energy: -20.833
bonds (distance) P-C4' energy: -23.201
flat angles C4'-P-C4' energy: -22.304
flat angles P-C4'-P energy: -17.390
tors. eta vs tors. theta energy: -22.780
Dist. restrs. and SS energy: 0.587 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -271.034426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.034426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.097167 (E_RNA)
where:
Base-Base interactions energy: -163.941
where: short stacking energy: -98.533
Base-Backbone interact. energy: -0.028
local terms energy: -107.128346
where:
bonds (distance) C4'-P energy: -21.778
bonds (distance) P-C4' energy: -22.264
flat angles C4'-P-C4' energy: -24.751
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: -28.064
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: 6
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -254.377456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.377456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.392786 (E_RNA)
where:
Base-Base interactions energy: -154.305
where: short stacking energy: -90.565
Base-Backbone interact. energy: -0.038
local terms energy: -100.050023
where:
bonds (distance) C4'-P energy: -20.348
bonds (distance) P-C4' energy: -15.520
flat angles C4'-P-C4' energy: -20.588
flat angles P-C4'-P energy: -17.647
tors. eta vs tors. theta energy: -25.947
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: 163
Temperature: 1.150000
Total energy: -235.452216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.452216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.465684 (E_RNA)
where:
Base-Base interactions energy: -140.232
where: short stacking energy: -69.062
Base-Backbone interact. energy: -0.078
local terms energy: -95.155777
where:
bonds (distance) C4'-P energy: -19.886
bonds (distance) P-C4' energy: -16.986
flat angles C4'-P-C4' energy: -20.328
flat angles P-C4'-P energy: -16.942
tors. eta vs tors. theta energy: -21.013
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: 163
Temperature: 1.200000
Total energy: -228.520945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.520945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.803121 (E_RNA)
where:
Base-Base interactions energy: -138.513
where: short stacking energy: -75.437
Base-Backbone interact. energy: 1.971
local terms energy: -92.261876
where:
bonds (distance) C4'-P energy: -22.703
bonds (distance) P-C4' energy: -10.298
flat angles C4'-P-C4' energy: -24.714
flat angles P-C4'-P energy: -13.852
tors. eta vs tors. theta energy: -20.695
Dist. restrs. and SS energy: 0.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -227.272471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.272471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.433522 (E_RNA)
where:
Base-Base interactions energy: -142.733
where: short stacking energy: -80.057
Base-Backbone interact. energy: -0.502
local terms energy: -84.198660
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -17.704
flat angles C4'-P-C4' energy: -22.229
flat angles P-C4'-P energy: -15.506
tors. eta vs tors. theta energy: -14.847
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: 7
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -216.509299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.509299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.530227 (E_RNA)
where:
Base-Base interactions energy: -132.762
where: short stacking energy: -61.849
Base-Backbone interact. energy: -0.188
local terms energy: -83.579408
where:
bonds (distance) C4'-P energy: -17.533
bonds (distance) P-C4' energy: -17.965
flat angles C4'-P-C4' energy: -18.165
flat angles P-C4'-P energy: -14.551
tors. eta vs tors. theta energy: -15.366
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: 2
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -205.100783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.100783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.117992 (E_RNA)
where:
Base-Base interactions energy: -133.103
where: short stacking energy: -64.055
Base-Backbone interact. energy: -0.149
local terms energy: -73.865947
where:
bonds (distance) C4'-P energy: -15.058
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -14.507
tors. eta vs tors. theta energy: -14.809
Dist. restrs. and SS energy: 2.017 (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: 8
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -297.383075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.383075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.614888 (E_RNA)
where:
Base-Base interactions energy: -173.353
where: short stacking energy: -106.927
Base-Backbone interact. energy: -0.007
local terms energy: -124.254577
where:
bonds (distance) C4'-P energy: -24.957
bonds (distance) P-C4' energy: -24.561
flat angles C4'-P-C4' energy: -23.901
flat angles P-C4'-P energy: -16.743
tors. eta vs tors. theta energy: -34.092
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: 4
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -295.710532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.710532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.740347 (E_RNA)
where:
Base-Base interactions energy: -183.510
where: short stacking energy: -106.286
Base-Backbone interact. energy: -0.003
local terms energy: -112.227457
where:
bonds (distance) C4'-P energy: -20.340
bonds (distance) P-C4' energy: -20.534
flat angles C4'-P-C4' energy: -24.519
flat angles P-C4'-P energy: -15.559
tors. eta vs tors. theta energy: -31.275
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: 164
Temperature: 1.000000
Total energy: -269.005752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.005752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.816783 (E_RNA)
where:
Base-Base interactions energy: -160.376
where: short stacking energy: -86.018
Base-Backbone interact. energy: -0.097
local terms energy: -109.344070
where:
bonds (distance) C4'-P energy: -21.517
bonds (distance) P-C4' energy: -24.827
flat angles C4'-P-C4' energy: -21.335
flat angles P-C4'-P energy: -12.671
tors. eta vs tors. theta energy: -28.994
Dist. restrs. and SS energy: 0.811 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -268.816174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.816174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.014590 (E_RNA)
where:
Base-Base interactions energy: -168.953
where: short stacking energy: -103.085
Base-Backbone interact. energy: -0.145
local terms energy: -99.916433
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -18.403
flat angles C4'-P-C4' energy: -22.330
flat angles P-C4'-P energy: -14.438
tors. eta vs tors. theta energy: -27.710
Dist. restrs. and SS energy: 0.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -249.422914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.422914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.497376 (E_RNA)
where:
Base-Base interactions energy: -152.716
where: short stacking energy: -77.304
Base-Backbone interact. energy: -0.225
local terms energy: -96.556471
where:
bonds (distance) C4'-P energy: -18.918
bonds (distance) P-C4' energy: -22.567
flat angles C4'-P-C4' energy: -19.242
flat angles P-C4'-P energy: -16.717
tors. eta vs tors. theta energy: -19.112
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: 6
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -247.740301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.740301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.999979 (E_RNA)
where:
Base-Base interactions energy: -149.127
where: short stacking energy: -77.009
Base-Backbone interact. energy: 0.011
local terms energy: -98.884012
where:
bonds (distance) C4'-P energy: -22.489
bonds (distance) P-C4' energy: -19.935
flat angles C4'-P-C4' energy: -19.219
flat angles P-C4'-P energy: -14.412
tors. eta vs tors. theta energy: -22.829
Dist. restrs. and SS energy: 0.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -241.995630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.995630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.475655 (E_RNA)
where:
Base-Base interactions energy: -154.249
where: short stacking energy: -86.455
Base-Backbone interact. energy: 0.016
local terms energy: -90.242453
where:
bonds (distance) C4'-P energy: -21.689
bonds (distance) P-C4' energy: -20.247
flat angles C4'-P-C4' energy: -19.231
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -16.115
Dist. restrs. and SS energy: 2.480 (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: 164
Temperature: 1.250000
Total energy: -212.864249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.864249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.913844 (E_RNA)
where:
Base-Base interactions energy: -121.641
where: short stacking energy: -58.012
Base-Backbone interact. energy: 0.139
local terms energy: -91.411714
where:
bonds (distance) C4'-P energy: -19.937
bonds (distance) P-C4' energy: -26.650
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -17.090
tors. eta vs tors. theta energy: -14.397
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: 2
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -209.516763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.516763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.618059 (E_RNA)
where:
Base-Base interactions energy: -126.453
where: short stacking energy: -62.404
Base-Backbone interact. energy: -0.333
local terms energy: -82.832551
where:
bonds (distance) C4'-P energy: -25.932
bonds (distance) P-C4' energy: -18.083
flat angles C4'-P-C4' energy: -19.871
flat angles P-C4'-P energy: -9.640
tors. eta vs tors. theta energy: -9.307
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: 7
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -216.729485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.729485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.751620 (E_RNA)
where:
Base-Base interactions energy: -125.358
where: short stacking energy: -62.106
Base-Backbone interact. energy: -1.514
local terms energy: -89.878841
where:
bonds (distance) C4'-P energy: -16.816
bonds (distance) P-C4' energy: -23.722
flat angles C4'-P-C4' energy: -20.624
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -16.173
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: 8
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -307.683600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.683600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.701780 (E_RNA)
where:
Base-Base interactions energy: -185.519
where: short stacking energy: -112.301
Base-Backbone interact. energy: -0.914
local terms energy: -121.269408
where:
bonds (distance) C4'-P energy: -24.484
bonds (distance) P-C4' energy: -24.098
flat angles C4'-P-C4' energy: -23.103
flat angles P-C4'-P energy: -16.417
tors. eta vs tors. theta energy: -33.167
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: 4
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -294.175587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.175587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.224548 (E_RNA)
where:
Base-Base interactions energy: -180.970
where: short stacking energy: -105.098
Base-Backbone interact. energy: -1.508
local terms energy: -111.746781
where:
bonds (distance) C4'-P energy: -24.349
bonds (distance) P-C4' energy: -18.043
flat angles C4'-P-C4' energy: -24.476
flat angles P-C4'-P energy: -16.508
tors. eta vs tors. theta energy: -28.371
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: 165
Temperature: 1.000000
Total energy: -271.780040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.780040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.991507 (E_RNA)
where:
Base-Base interactions energy: -161.271
where: short stacking energy: -87.337
Base-Backbone interact. energy: -0.145
local terms energy: -111.575345
where:
bonds (distance) C4'-P energy: -20.609
bonds (distance) P-C4' energy: -22.831
flat angles C4'-P-C4' energy: -21.215
flat angles P-C4'-P energy: -17.942
tors. eta vs tors. theta energy: -28.979
Dist. restrs. and SS energy: 1.211 (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: 5
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -250.949219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.949219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.943256 (E_RNA)
where:
Base-Base interactions energy: -157.247
where: short stacking energy: -79.122
Base-Backbone interact. energy: -0.242
local terms energy: -94.454107
where:
bonds (distance) C4'-P energy: -17.516
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -25.279
flat angles P-C4'-P energy: -16.317
tors. eta vs tors. theta energy: -17.813
Dist. restrs. and SS energy: 0.994 (S_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: 165
Temperature: 1.100000
Total energy: -247.534072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.534072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.303248 (E_RNA)
where:
Base-Base interactions energy: -153.833
where: short stacking energy: -76.860
Base-Backbone interact. energy: -0.034
local terms energy: -94.436345
where:
bonds (distance) C4'-P energy: -20.511
bonds (distance) P-C4' energy: -16.070
flat angles C4'-P-C4' energy: -22.261
flat angles P-C4'-P energy: -18.562
tors. eta vs tors. theta energy: -17.033
Dist. restrs. and SS energy: 0.769 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -254.313602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.313602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.324563 (E_RNA)
where:
Base-Base interactions energy: -149.176
where: short stacking energy: -84.775
Base-Backbone interact. energy: -0.338
local terms energy: -104.810918
where:
bonds (distance) C4'-P energy: -21.420
bonds (distance) P-C4' energy: -24.182
flat angles C4'-P-C4' energy: -24.705
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -23.731
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -246.118855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.118855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.139918 (E_RNA)
where:
Base-Base interactions energy: -149.957
where: short stacking energy: -88.255
Base-Backbone interact. energy: -0.285
local terms energy: -95.898601
where:
bonds (distance) C4'-P energy: -20.496
bonds (distance) P-C4' energy: -19.343
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -13.604
tors. eta vs tors. theta energy: -25.394
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -202.290472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.290472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.330810 (E_RNA)
where:
Base-Base interactions energy: -116.687
where: short stacking energy: -55.011
Base-Backbone interact. energy: -0.238
local terms energy: -85.406554
where:
bonds (distance) C4'-P energy: -20.112
bonds (distance) P-C4' energy: -21.854
flat angles C4'-P-C4' energy: -20.933
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -10.455
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: 1
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -205.716082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.716082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.716082 (E_RNA)
where:
Base-Base interactions energy: -126.034
where: short stacking energy: -62.625
Base-Backbone interact. energy: -0.130
local terms energy: -79.551586
where:
bonds (distance) C4'-P energy: -20.522
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -18.754
flat angles P-C4'-P energy: -14.781
tors. eta vs tors. theta energy: -10.313
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -208.725470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.725470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.769378 (E_RNA)
where:
Base-Base interactions energy: -126.063
where: short stacking energy: -63.187
Base-Backbone interact. energy: -0.058
local terms energy: -82.648686
where:
bonds (distance) C4'-P energy: -19.084
bonds (distance) P-C4' energy: -21.278
flat angles C4'-P-C4' energy: -18.185
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -12.911
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: 8
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -300.589864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.589864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.603744 (E_RNA)
where:
Base-Base interactions energy: -184.273
where: short stacking energy: -113.849
Base-Backbone interact. energy: -0.001
local terms energy: -116.329720
where:
bonds (distance) C4'-P energy: -17.251
bonds (distance) P-C4' energy: -22.199
flat angles C4'-P-C4' energy: -24.259
flat angles P-C4'-P energy: -18.693
tors. eta vs tors. theta energy: -33.928
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: 166
Temperature: 0.950000
Total energy: -274.337574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.337574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.431351 (E_RNA)
where:
Base-Base interactions energy: -161.532
where: short stacking energy: -91.936
Base-Backbone interact. energy: 0.923
local terms energy: -113.822118
where:
bonds (distance) C4'-P energy: -26.348
bonds (distance) P-C4' energy: -25.136
flat angles C4'-P-C4' energy: -21.755
flat angles P-C4'-P energy: -15.218
tors. eta vs tors. theta energy: -25.366
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: 3
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -269.374023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.374023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.231609 (E_RNA)
where:
Base-Base interactions energy: -166.499
where: short stacking energy: -90.766
Base-Backbone interact. energy: -0.118
local terms energy: -104.614424
where:
bonds (distance) C4'-P energy: -18.056
bonds (distance) P-C4' energy: -19.015
flat angles C4'-P-C4' energy: -23.556
flat angles P-C4'-P energy: -16.108
tors. eta vs tors. theta energy: -27.879
Dist. restrs. and SS energy: 1.858 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -261.393524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.393524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.348865 (E_RNA)
where:
Base-Base interactions energy: -155.731
where: short stacking energy: -77.427
Base-Backbone interact. energy: -0.004
local terms energy: -107.613916
where:
bonds (distance) C4'-P energy: -20.476
bonds (distance) P-C4' energy: -23.480
flat angles C4'-P-C4' energy: -23.149
flat angles P-C4'-P energy: -16.780
tors. eta vs tors. theta energy: -23.729
Dist. restrs. and SS energy: 1.955 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -251.275459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.275459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.354035 (E_RNA)
where:
Base-Base interactions energy: -152.456
where: short stacking energy: -79.857
Base-Backbone interact. energy: -0.752
local terms energy: -98.146062
where:
bonds (distance) C4'-P energy: -20.092
bonds (distance) P-C4' energy: -23.183
flat angles C4'-P-C4' energy: -22.384
flat angles P-C4'-P energy: -13.617
tors. eta vs tors. theta energy: -18.871
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -260.161725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.161725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.162866 (E_RNA)
where:
Base-Base interactions energy: -161.006
where: short stacking energy: -87.089
Base-Backbone interact. energy: -0.149
local terms energy: -99.008052
where:
bonds (distance) C4'-P energy: -20.091
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -17.920
flat angles P-C4'-P energy: -18.018
tors. eta vs tors. theta energy: -25.466
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: 166
Temperature: 1.200000
Total energy: -220.850089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.850089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.027625 (E_RNA)
where:
Base-Base interactions energy: -128.525
where: short stacking energy: -67.767
Base-Backbone interact. energy: -0.162
local terms energy: -92.341022
where:
bonds (distance) C4'-P energy: -21.321
bonds (distance) P-C4' energy: -27.491
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -10.421
tors. eta vs tors. theta energy: -16.997
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: 6
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -226.312468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.312468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.453582 (E_RNA)
where:
Base-Base interactions energy: -146.738
where: short stacking energy: -67.188
Base-Backbone interact. energy: -0.079
local terms energy: -79.636344
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -15.165
flat angles C4'-P-C4' energy: -17.810
flat angles P-C4'-P energy: -16.294
tors. eta vs tors. theta energy: -15.103
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: 7
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -207.743979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.743979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.783142 (E_RNA)
where:
Base-Base interactions energy: -124.662
where: short stacking energy: -60.023
Base-Backbone interact. energy: -0.219
local terms energy: -82.902469
where:
bonds (distance) C4'-P energy: -17.301
bonds (distance) P-C4' energy: -21.804
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -14.841
tors. eta vs tors. theta energy: -13.715
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: 1
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -185.827201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.827201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.935396 (E_RNA)
where:
Base-Base interactions energy: -114.388
where: short stacking energy: -47.910
Base-Backbone interact. energy: 0.421
local terms energy: -71.967922
where:
bonds (distance) C4'-P energy: -18.290
bonds (distance) P-C4' energy: -11.555
flat angles C4'-P-C4' energy: -19.206
flat angles P-C4'-P energy: -15.698
tors. eta vs tors. theta energy: -7.218
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: 8
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -310.321879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.321879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.400306 (E_RNA)
where:
Base-Base interactions energy: -193.735
where: short stacking energy: -121.238
Base-Backbone interact. energy: -0.010
local terms energy: -116.654548
where:
bonds (distance) C4'-P energy: -21.781
bonds (distance) P-C4' energy: -21.481
flat angles C4'-P-C4' energy: -22.305
flat angles P-C4'-P energy: -15.327
tors. eta vs tors. theta energy: -35.761
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: 3
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -285.846077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.846077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.508334 (E_RNA)
where:
Base-Base interactions energy: -178.012
where: short stacking energy: -94.333
Base-Backbone interact. energy: -0.785
local terms energy: -108.711702
where:
bonds (distance) C4'-P energy: -20.739
bonds (distance) P-C4' energy: -17.981
flat angles C4'-P-C4' energy: -23.920
flat angles P-C4'-P energy: -14.052
tors. eta vs tors. theta energy: -32.020
Dist. restrs. and SS energy: 1.662 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -282.875079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.875079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.893156 (E_RNA)
where:
Base-Base interactions energy: -179.366
where: short stacking energy: -98.497
Base-Backbone interact. energy: -0.342
local terms energy: -103.184545
where:
bonds (distance) C4'-P energy: -23.040
bonds (distance) P-C4' energy: -17.687
flat angles C4'-P-C4' energy: -19.994
flat angles P-C4'-P energy: -15.156
tors. eta vs tors. theta energy: -27.307
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -253.189844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.189844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.227945 (E_RNA)
where:
Base-Base interactions energy: -146.356
where: short stacking energy: -81.668
Base-Backbone interact. energy: -0.245
local terms energy: -106.626599
where:
bonds (distance) C4'-P energy: -22.046
bonds (distance) P-C4' energy: -24.016
flat angles C4'-P-C4' energy: -23.838
flat angles P-C4'-P energy: -18.150
tors. eta vs tors. theta energy: -18.577
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: 167
Temperature: 1.100000
Total energy: -239.632455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.632455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.727916 (E_RNA)
where:
Base-Base interactions energy: -138.634
where: short stacking energy: -75.793
Base-Backbone interact. energy: -0.629
local terms energy: -100.464779
where:
bonds (distance) C4'-P energy: -23.027
bonds (distance) P-C4' energy: -25.258
flat angles C4'-P-C4' energy: -19.594
flat angles P-C4'-P energy: -14.062
tors. eta vs tors. theta energy: -18.523
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: 2
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -246.483078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.483078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.705028 (E_RNA)
where:
Base-Base interactions energy: -159.884
where: short stacking energy: -77.194
Base-Backbone interact. energy: -0.371
local terms energy: -86.449891
where:
bonds (distance) C4'-P energy: -17.293
bonds (distance) P-C4' energy: -19.329
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -25.633
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: 7, replica: 10
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -237.643456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.643456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.201304 (E_RNA)
where:
Base-Base interactions energy: -142.681
where: short stacking energy: -71.766
Base-Backbone interact. energy: -0.205
local terms energy: -95.315468
where:
bonds (distance) C4'-P energy: -19.288
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -24.072
flat angles P-C4'-P energy: -16.186
tors. eta vs tors. theta energy: -18.234
Dist. restrs. and SS energy: 0.558 (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: 7
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -225.193889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.193889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.303934 (E_RNA)
where:
Base-Base interactions energy: -135.413
where: short stacking energy: -77.529
Base-Backbone interact. energy: 1.124
local terms energy: -91.015210
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -21.524
flat angles C4'-P-C4' energy: -21.959
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -21.721
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: 6
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -220.939681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.939681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.084076 (E_RNA)
where:
Base-Base interactions energy: -133.187
where: short stacking energy: -64.074
Base-Backbone interact. energy: -0.100
local terms energy: -87.796929
where:
bonds (distance) C4'-P energy: -21.681
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -19.510
flat angles P-C4'-P energy: -14.870
tors. eta vs tors. theta energy: -15.319
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: 10, replica: 1
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -197.960355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.960355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.019288 (E_RNA)
where:
Base-Base interactions energy: -124.533
where: short stacking energy: -61.366
Base-Backbone interact. energy: -0.345
local terms energy: -73.141250
where:
bonds (distance) C4'-P energy: -20.023
bonds (distance) P-C4' energy: -17.238
flat angles C4'-P-C4' energy: -22.301
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -4.702
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: 8
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -293.449351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.449351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.605020 (E_RNA)
where:
Base-Base interactions energy: -174.223
where: short stacking energy: -105.991
Base-Backbone interact. energy: -0.186
local terms energy: -119.196925
where:
bonds (distance) C4'-P energy: -25.176
bonds (distance) P-C4' energy: -23.838
flat angles C4'-P-C4' energy: -25.871
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -32.321
Dist. restrs. and SS energy: 0.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -282.854078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.854078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.012623 (E_RNA)
where:
Base-Base interactions energy: -175.586
where: short stacking energy: -96.286
Base-Backbone interact. energy: 0.008
local terms energy: -109.434725
where:
bonds (distance) C4'-P energy: -22.220
bonds (distance) P-C4' energy: -23.931
flat angles C4'-P-C4' energy: -22.284
flat angles P-C4'-P energy: -13.543
tors. eta vs tors. theta energy: -27.458
Dist. restrs. and SS energy: 2.159 (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: 4
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -295.640845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.640845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.640845 (E_RNA)
where:
Base-Base interactions energy: -178.767
where: short stacking energy: -107.756
Base-Backbone interact. energy: 0.162
local terms energy: -117.036126
where:
bonds (distance) C4'-P energy: -17.144
bonds (distance) P-C4' energy: -24.738
flat angles C4'-P-C4' energy: -24.834
flat angles P-C4'-P energy: -17.152
tors. eta vs tors. theta energy: -33.168
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: 4, replica: 9
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -280.541702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.541702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.563858 (E_RNA)
where:
Base-Base interactions energy: -166.037
where: short stacking energy: -98.108
Base-Backbone interact. energy: -0.005
local terms energy: -114.522496
where:
bonds (distance) C4'-P energy: -20.526
bonds (distance) P-C4' energy: -22.737
flat angles C4'-P-C4' energy: -24.545
flat angles P-C4'-P energy: -17.918
tors. eta vs tors. theta energy: -28.796
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -261.096006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.096006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.206031 (E_RNA)
where:
Base-Base interactions energy: -172.044
where: short stacking energy: -83.255
Base-Backbone interact. energy: -0.114
local terms energy: -90.048010
where:
bonds (distance) C4'-P energy: -10.128
bonds (distance) P-C4' energy: -23.324
flat angles C4'-P-C4' energy: -20.369
flat angles P-C4'-P energy: -15.645
tors. eta vs tors. theta energy: -20.582
Dist. restrs. and SS energy: 1.110 (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: 5
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -229.902781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.902781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.950681 (E_RNA)
where:
Base-Base interactions energy: -136.937
where: short stacking energy: -62.988
Base-Backbone interact. energy: -0.032
local terms energy: -94.982246
where:
bonds (distance) C4'-P energy: -22.124
bonds (distance) P-C4' energy: -23.241
flat angles C4'-P-C4' energy: -20.922
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: -16.578
Dist. restrs. and SS energy: 2.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -231.393358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.393358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.425559 (E_RNA)
where:
Base-Base interactions energy: -141.631
where: short stacking energy: -70.884
Base-Backbone interact. energy: -1.187
local terms energy: -88.607400
where:
bonds (distance) C4'-P energy: -22.451
bonds (distance) P-C4' energy: -19.477
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -15.603
tors. eta vs tors. theta energy: -14.637
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: 10
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -237.455509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.455509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.643196 (E_RNA)
where:
Base-Base interactions energy: -145.213
where: short stacking energy: -75.858
Base-Backbone interact. energy: -0.046
local terms energy: -92.384584
where:
bonds (distance) C4'-P energy: -18.328
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -20.581
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -24.327
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: 1
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -213.971011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.971011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.032543 (E_RNA)
where:
Base-Base interactions energy: -135.138
where: short stacking energy: -64.285
Base-Backbone interact. energy: -0.962
local terms energy: -77.932472
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -14.137
flat angles P-C4'-P energy: -14.089
tors. eta vs tors. theta energy: -18.073
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: 6
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -204.427031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.427031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.534829 (E_RNA)
where:
Base-Base interactions energy: -128.859
where: short stacking energy: -65.044
Base-Backbone interact. energy: -0.128
local terms energy: -75.546988
where:
bonds (distance) C4'-P energy: -15.897
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -21.472
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -15.879
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: 8
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -317.244302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.244302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.359154 (E_RNA)
where:
Base-Base interactions energy: -198.809
where: short stacking energy: -116.657
Base-Backbone interact. energy: -0.005
local terms energy: -118.544844
where:
bonds (distance) C4'-P energy: -17.462
bonds (distance) P-C4' energy: -23.949
flat angles C4'-P-C4' energy: -25.844
flat angles P-C4'-P energy: -18.174
tors. eta vs tors. theta energy: -33.115
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: 4
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -287.038428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.038428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.307765 (E_RNA)
where:
Base-Base interactions energy: -186.852
where: short stacking energy: -104.770
Base-Backbone interact. energy: -0.130
local terms energy: -100.325816
where:
bonds (distance) C4'-P energy: -23.279
bonds (distance) P-C4' energy: -16.261
flat angles C4'-P-C4' energy: -18.719
flat angles P-C4'-P energy: -13.213
tors. eta vs tors. theta energy: -28.853
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: 3, replica: 3
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -276.382230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.382230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.691005 (E_RNA)
where:
Base-Base interactions energy: -158.721
where: short stacking energy: -92.605
Base-Backbone interact. energy: -0.316
local terms energy: -117.653628
where:
bonds (distance) C4'-P energy: -23.345
bonds (distance) P-C4' energy: -24.277
flat angles C4'-P-C4' energy: -25.495
flat angles P-C4'-P energy: -16.836
tors. eta vs tors. theta energy: -27.700
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: 4, replica: 9
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -276.738760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.738760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.749693 (E_RNA)
where:
Base-Base interactions energy: -170.550
where: short stacking energy: -95.874
Base-Backbone interact. energy: -0.139
local terms energy: -106.060202
where:
bonds (distance) C4'-P energy: -23.085
bonds (distance) P-C4' energy: -18.339
flat angles C4'-P-C4' energy: -23.811
flat angles P-C4'-P energy: -16.459
tors. eta vs tors. theta energy: -24.366
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: 169
Temperature: 1.100000
Total energy: -246.846243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.846243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.960947 (E_RNA)
where:
Base-Base interactions energy: -150.923
where: short stacking energy: -88.059
Base-Backbone interact. energy: -0.340
local terms energy: -95.698110
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -15.299
flat angles C4'-P-C4' energy: -22.414
flat angles P-C4'-P energy: -17.040
tors. eta vs tors. theta energy: -24.325
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: 5
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -243.909002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.909002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.930048 (E_RNA)
where:
Base-Base interactions energy: -154.191
where: short stacking energy: -85.281
Base-Backbone interact. energy: -0.059
local terms energy: -89.680117
where:
bonds (distance) C4'-P energy: -18.227
bonds (distance) P-C4' energy: -16.101
flat angles C4'-P-C4' energy: -19.723
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -24.270
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: 7
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -227.748825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.748825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.780855 (E_RNA)
where:
Base-Base interactions energy: -143.026
where: short stacking energy: -75.206
Base-Backbone interact. energy: -0.619
local terms energy: -84.136526
where:
bonds (distance) C4'-P energy: -18.222
bonds (distance) P-C4' energy: -17.161
flat angles C4'-P-C4' energy: -18.930
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -19.134
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: 1
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -223.908213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.908213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.089046 (E_RNA)
where:
Base-Base interactions energy: -135.913
where: short stacking energy: -58.200
Base-Backbone interact. energy: -0.273
local terms energy: -87.902977
where:
bonds (distance) C4'-P energy: -20.813
bonds (distance) P-C4' energy: -22.176
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -14.142
tors. eta vs tors. theta energy: -13.595
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: 9, replica: 10
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -218.362561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.362561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.502730 (E_RNA)
where:
Base-Base interactions energy: -136.301
where: short stacking energy: -60.189
Base-Backbone interact. energy: 0.034
local terms energy: -84.235542
where:
bonds (distance) C4'-P energy: -17.736
bonds (distance) P-C4' energy: -19.853
flat angles C4'-P-C4' energy: -16.750
flat angles P-C4'-P energy: -15.363
tors. eta vs tors. theta energy: -14.533
Dist. restrs. and SS energy: 2.140 (S_DIST_RNA)
chem. 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: -196.399728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.399728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.470171 (E_RNA)
where:
Base-Base interactions energy: -123.931
where: short stacking energy: -56.695
Base-Backbone interact. energy: -0.351
local terms energy: -72.187974
where:
bonds (distance) C4'-P energy: -6.079
bonds (distance) P-C4' energy: -21.045
flat angles C4'-P-C4' energy: -20.296
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: -12.591
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: 4
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -291.943265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.943265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.916005 (E_RNA)
where:
Base-Base interactions energy: -182.567
where: short stacking energy: -103.880
Base-Backbone interact. energy: -0.593
local terms energy: -110.755048
where:
bonds (distance) C4'-P energy: -23.192
bonds (distance) P-C4' energy: -21.808
flat angles C4'-P-C4' energy: -24.328
flat angles P-C4'-P energy: -12.863
tors. eta vs tors. theta energy: -28.564
Dist. restrs. and SS energy: 1.973 (S_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: 170
Temperature: 0.950000
Total energy: -286.317147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.317147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.412978 (E_RNA)
where:
Base-Base interactions energy: -182.018
where: short stacking energy: -101.034
Base-Backbone interact. energy: -0.008
local terms energy: -104.387034
where:
bonds (distance) C4'-P energy: -18.373
bonds (distance) P-C4' energy: -14.963
flat angles C4'-P-C4' energy: -26.254
flat angles P-C4'-P energy: -13.876
tors. eta vs tors. theta energy: -30.921
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: 170
Temperature: 1.000000
Total energy: -272.151083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.151083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.300317 (E_RNA)
where:
Base-Base interactions energy: -166.831
where: short stacking energy: -101.497
Base-Backbone interact. energy: -0.001
local terms energy: -108.468941
where:
bonds (distance) C4'-P energy: -19.301
bonds (distance) P-C4' energy: -20.793
flat angles C4'-P-C4' energy: -26.420
flat angles P-C4'-P energy: -14.826
tors. eta vs tors. theta energy: -27.129
Dist. restrs. and SS energy: 3.149 (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: 3
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -257.595515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.595515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.627836 (E_RNA)
where:
Base-Base interactions energy: -157.349
where: short stacking energy: -84.373
Base-Backbone interact. energy: -0.330
local terms energy: -99.949245
where:
bonds (distance) C4'-P energy: -17.696
bonds (distance) P-C4' energy: -25.636
flat angles C4'-P-C4' energy: -18.274
flat angles P-C4'-P energy: -15.108
tors. eta vs tors. theta energy: -23.235
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: 5
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -250.951201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.951201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.954092 (E_RNA)
where:
Base-Base interactions energy: -158.470
where: short stacking energy: -82.140
Base-Backbone interact. energy: -0.099
local terms energy: -92.385113
where:
bonds (distance) C4'-P energy: -19.057
bonds (distance) P-C4' energy: -18.844
flat angles C4'-P-C4' energy: -19.810
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -23.054
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: 170
Temperature: 1.150000
Total energy: -228.259902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.259902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.268543 (E_RNA)
where:
Base-Base interactions energy: -146.463
where: short stacking energy: -79.573
Base-Backbone interact. energy: -0.314
local terms energy: -81.491729
where:
bonds (distance) C4'-P energy: -16.751
bonds (distance) P-C4' energy: -19.707
flat angles C4'-P-C4' energy: -19.080
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -14.623
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -246.342400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.342400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.459301 (E_RNA)
where:
Base-Base interactions energy: -153.817
where: short stacking energy: -86.225
Base-Backbone interact. energy: -0.225
local terms energy: -92.417393
where:
bonds (distance) C4'-P energy: -21.358
bonds (distance) P-C4' energy: -17.512
flat angles C4'-P-C4' energy: -22.188
flat angles P-C4'-P energy: -7.508
tors. eta vs tors. theta energy: -23.852
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: 170
Temperature: 1.250000
Total energy: -225.696102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.696102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.730384 (E_RNA)
where:
Base-Base interactions energy: -132.928
where: short stacking energy: -65.073
Base-Backbone interact. energy: 0.254
local terms energy: -93.055757
where:
bonds (distance) C4'-P energy: -21.453
bonds (distance) P-C4' energy: -22.578
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -18.137
tors. eta vs tors. theta energy: -15.135
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: 6
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -198.564680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.564680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.717217 (E_RNA)
where:
Base-Base interactions energy: -112.805
where: short stacking energy: -53.949
Base-Backbone interact. energy: -0.097
local terms energy: -85.816039
where:
bonds (distance) C4'-P energy: -23.281
bonds (distance) P-C4' energy: -19.415
flat angles C4'-P-C4' energy: -18.394
flat angles P-C4'-P energy: -15.032
tors. eta vs tors. theta energy: -9.695
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: 10, replica: 10
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -206.632413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.632413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.642614 (E_RNA)
where:
Base-Base interactions energy: -126.347
where: short stacking energy: -57.843
Base-Backbone interact. energy: 0.317
local terms energy: -80.613417
where:
bonds (distance) C4'-P energy: -20.513
bonds (distance) P-C4' energy: -19.551
flat angles C4'-P-C4' energy: -21.676
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -9.443
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: 1, replica: 4
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -308.765798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.765798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.792489 (E_RNA)
where:
Base-Base interactions energy: -188.261
where: short stacking energy: -118.885
Base-Backbone interact. energy: -0.228
local terms energy: -120.303373
where:
bonds (distance) C4'-P energy: -19.020
bonds (distance) P-C4' energy: -24.653
flat angles C4'-P-C4' energy: -25.665
flat angles P-C4'-P energy: -20.994
tors. eta vs tors. theta energy: -29.971
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: 171
Temperature: 0.950000
Total energy: -286.938965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.938965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.819768 (E_RNA)
where:
Base-Base interactions energy: -172.870
where: short stacking energy: -93.563
Base-Backbone interact. energy: -0.090
local terms energy: -115.859864
where:
bonds (distance) C4'-P energy: -19.264
bonds (distance) P-C4' energy: -26.051
flat angles C4'-P-C4' energy: -21.928
flat angles P-C4'-P energy: -16.025
tors. eta vs tors. theta energy: -32.593
Dist. restrs. and SS energy: 1.881 (S_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: 171
Temperature: 1.000000
Total energy: -291.676409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.676409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.966075 (E_RNA)
where:
Base-Base interactions energy: -187.438
where: short stacking energy: -107.480
Base-Backbone interact. energy: -0.139
local terms energy: -105.389664
where:
bonds (distance) C4'-P energy: -20.457
bonds (distance) P-C4' energy: -19.375
flat angles C4'-P-C4' energy: -21.956
flat angles P-C4'-P energy: -14.951
tors. eta vs tors. theta energy: -28.650
Dist. restrs. and SS energy: 1.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -246.084779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.084779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.297840 (E_RNA)
where:
Base-Base interactions energy: -150.242
where: short stacking energy: -83.826
Base-Backbone interact. energy: -0.165
local terms energy: -95.891153
where:
bonds (distance) C4'-P energy: -20.862
bonds (distance) P-C4' energy: -21.244
flat angles C4'-P-C4' energy: -19.331
flat angles P-C4'-P energy: -14.066
tors. eta vs tors. theta energy: -20.388
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: 5
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -253.785861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.785861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.830692 (E_RNA)
where:
Base-Base interactions energy: -154.868
where: short stacking energy: -78.825
Base-Backbone interact. energy: -0.021
local terms energy: -98.941393
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -22.337
flat angles C4'-P-C4' energy: -19.602
flat angles P-C4'-P energy: -17.900
tors. eta vs tors. theta energy: -21.116
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -235.758351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.758351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.824785 (E_RNA)
where:
Base-Base interactions energy: -147.838
where: short stacking energy: -70.161
Base-Backbone interact. energy: -0.315
local terms energy: -87.671379
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -22.954
flat angles C4'-P-C4' energy: -18.343
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -20.336
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: 171
Temperature: 1.200000
Total energy: -228.005194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.005194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.439034 (E_RNA)
where:
Base-Base interactions energy: -138.562
where: short stacking energy: -71.372
Base-Backbone interact. energy: -0.199
local terms energy: -90.677509
where:
bonds (distance) C4'-P energy: -22.325
bonds (distance) P-C4' energy: -22.341
flat angles C4'-P-C4' energy: -20.456
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -15.693
Dist. restrs. and SS energy: 1.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -225.861583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.861583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.892120 (E_RNA)
where:
Base-Base interactions energy: -140.355
where: short stacking energy: -70.648
Base-Backbone interact. energy: -0.377
local terms energy: -86.160412
where:
bonds (distance) C4'-P energy: -18.190
bonds (distance) P-C4' energy: -20.335
flat angles C4'-P-C4' energy: -20.168
flat angles P-C4'-P energy: -12.105
tors. eta vs tors. theta energy: -15.362
Dist. restrs. and SS energy: 1.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -211.617624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.617624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.927902 (E_RNA)
where:
Base-Base interactions energy: -116.477
where: short stacking energy: -59.822
Base-Backbone interact. energy: -1.489
local terms energy: -93.961850
where:
bonds (distance) C4'-P energy: -21.595
bonds (distance) P-C4' energy: -21.703
flat angles C4'-P-C4' energy: -22.954
flat angles P-C4'-P energy: -15.620
tors. eta vs tors. theta energy: -12.091
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: 10, replica: 10
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -201.743190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.743190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.989801 (E_RNA)
where:
Base-Base interactions energy: -121.403
where: short stacking energy: -60.293
Base-Backbone interact. energy: -0.446
local terms energy: -80.141111
where:
bonds (distance) C4'-P energy: -19.338
bonds (distance) P-C4' energy: -20.993
flat angles C4'-P-C4' energy: -18.590
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -8.721
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: 1, replica: 4
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -284.508407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.508407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.665963 (E_RNA)
where:
Base-Base interactions energy: -173.035
where: short stacking energy: -105.539
Base-Backbone interact. energy: -0.002
local terms energy: -111.628999
where:
bonds (distance) C4'-P energy: -21.391
bonds (distance) P-C4' energy: -20.900
flat angles C4'-P-C4' energy: -21.623
flat angles P-C4'-P energy: -16.422
tors. eta vs tors. theta energy: -31.293
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: 2, replica: 9
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -276.562208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.562208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.572213 (E_RNA)
where:
Base-Base interactions energy: -170.176
where: short stacking energy: -104.055
Base-Backbone interact. energy: -0.101
local terms energy: -106.295320
where:
bonds (distance) C4'-P energy: -20.034
bonds (distance) P-C4' energy: -19.919
flat angles C4'-P-C4' energy: -21.407
flat angles P-C4'-P energy: -18.035
tors. eta vs tors. theta energy: -26.902
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: 8
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -288.483988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.483988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.126016 (E_RNA)
where:
Base-Base interactions energy: -177.458
where: short stacking energy: -102.003
Base-Backbone interact. energy: -0.132
local terms energy: -112.536624
where:
bonds (distance) C4'-P energy: -20.756
bonds (distance) P-C4' energy: -23.459
flat angles C4'-P-C4' energy: -21.529
flat angles P-C4'-P energy: -14.898
tors. eta vs tors. theta energy: -31.895
Dist. restrs. and SS energy: 1.642 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -255.118506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.118506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.418047 (E_RNA)
where:
Base-Base interactions energy: -157.656
where: short stacking energy: -84.329
Base-Backbone interact. energy: -0.198
local terms energy: -97.563636
where:
bonds (distance) C4'-P energy: -16.841
bonds (distance) P-C4' energy: -19.862
flat angles C4'-P-C4' energy: -24.610
flat angles P-C4'-P energy: -13.142
tors. eta vs tors. theta energy: -23.108
Dist. restrs. and SS energy: 0.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -265.176705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.176705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.233775 (E_RNA)
where:
Base-Base interactions energy: -153.139
where: short stacking energy: -87.389
Base-Backbone interact. energy: -0.284
local terms energy: -111.811344
where:
bonds (distance) C4'-P energy: -20.573
bonds (distance) P-C4' energy: -24.123
flat angles C4'-P-C4' energy: -23.227
flat angles P-C4'-P energy: -20.580
tors. eta vs tors. theta energy: -23.309
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: 172
Temperature: 1.150000
Total energy: -234.685190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.685190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.804464 (E_RNA)
where:
Base-Base interactions energy: -140.593
where: short stacking energy: -72.927
Base-Backbone interact. energy: -0.137
local terms energy: -94.073967
where:
bonds (distance) C4'-P energy: -22.723
bonds (distance) P-C4' energy: -19.477
flat angles C4'-P-C4' energy: -24.393
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -16.807
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: 172
Temperature: 1.200000
Total energy: -231.827690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.827690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.701288 (E_RNA)
where:
Base-Base interactions energy: -138.175
where: short stacking energy: -69.245
Base-Backbone interact. energy: 0.576
local terms energy: -96.102252
where:
bonds (distance) C4'-P energy: -20.646
bonds (distance) P-C4' energy: -21.700
flat angles C4'-P-C4' energy: -21.155
flat angles P-C4'-P energy: -14.861
tors. eta vs tors. theta energy: -17.740
Dist. restrs. and SS energy: 1.874 (S_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: 172
Temperature: 1.250000
Total energy: -210.612135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.612135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.806716 (E_RNA)
where:
Base-Base interactions energy: -125.514
where: short stacking energy: -64.636
Base-Backbone interact. energy: -1.712
local terms energy: -83.581145
where:
bonds (distance) C4'-P energy: -19.543
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -18.283
flat angles P-C4'-P energy: -18.361
tors. eta vs tors. theta energy: -11.702
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: 9, replica: 10
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -213.144053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.144053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.186442 (E_RNA)
where:
Base-Base interactions energy: -126.096
where: short stacking energy: -65.623
Base-Backbone interact. energy: 1.523
local terms energy: -88.613412
where:
bonds (distance) C4'-P energy: -17.414
bonds (distance) P-C4' energy: -22.187
flat angles C4'-P-C4' energy: -18.453
flat angles P-C4'-P energy: -14.163
tors. eta vs tors. theta energy: -16.397
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: 10, replica: 6
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -201.602699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.602699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.645611 (E_RNA)
where:
Base-Base interactions energy: -120.036
where: short stacking energy: -54.533
Base-Backbone interact. energy: -0.277
local terms energy: -81.332525
where:
bonds (distance) C4'-P energy: -21.070
bonds (distance) P-C4' energy: -20.200
flat angles C4'-P-C4' energy: -18.584
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -9.933
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: 4
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -286.763853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.763853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.839778 (E_RNA)
where:
Base-Base interactions energy: -184.135
where: short stacking energy: -95.154
Base-Backbone interact. energy: 1.487
local terms energy: -104.191513
where:
bonds (distance) C4'-P energy: -17.511
bonds (distance) P-C4' energy: -23.060
flat angles C4'-P-C4' energy: -21.243
flat angles P-C4'-P energy: -18.261
tors. eta vs tors. theta energy: -24.117
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: 173
Temperature: 0.950000
Total energy: -277.096635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.096635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.367391 (E_RNA)
where:
Base-Base interactions energy: -161.589
where: short stacking energy: -89.418
Base-Backbone interact. energy: -0.086
local terms energy: -115.693007
where:
bonds (distance) C4'-P energy: -23.747
bonds (distance) P-C4' energy: -24.275
flat angles C4'-P-C4' energy: -25.114
flat angles P-C4'-P energy: -14.996
tors. eta vs tors. theta energy: -27.561
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: 8
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -275.469720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.469720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.482605 (E_RNA)
where:
Base-Base interactions energy: -172.036
where: short stacking energy: -95.599
Base-Backbone interact. energy: 0.859
local terms energy: -104.305725
where:
bonds (distance) C4'-P energy: -16.129
bonds (distance) P-C4' energy: -21.986
flat angles C4'-P-C4' energy: -24.198
flat angles P-C4'-P energy: -18.744
tors. eta vs tors. theta energy: -23.247
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: 173
Temperature: 1.050000
Total energy: -285.867686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.867686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.881284 (E_RNA)
where:
Base-Base interactions energy: -171.367
where: short stacking energy: -99.954
Base-Backbone interact. energy: -0.032
local terms energy: -114.482383
where:
bonds (distance) C4'-P energy: -24.276
bonds (distance) P-C4' energy: -24.449
flat angles C4'-P-C4' energy: -22.716
flat angles P-C4'-P energy: -12.150
tors. eta vs tors. theta energy: -30.892
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: 173
Temperature: 1.100000
Total energy: -245.109361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.109361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.141761 (E_RNA)
where:
Base-Base interactions energy: -150.241
where: short stacking energy: -80.382
Base-Backbone interact. energy: -0.182
local terms energy: -94.719667
where:
bonds (distance) C4'-P energy: -17.339
bonds (distance) P-C4' energy: -14.027
flat angles C4'-P-C4' energy: -23.541
flat angles P-C4'-P energy: -20.767
tors. eta vs tors. theta energy: -19.046
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -230.917734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.917734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.193392 (E_RNA)
where:
Base-Base interactions energy: -136.886
where: short stacking energy: -61.985
Base-Backbone interact. energy: -0.019
local terms energy: -95.288700
where:
bonds (distance) C4'-P energy: -21.748
bonds (distance) P-C4' energy: -20.191
flat angles C4'-P-C4' energy: -18.043
flat angles P-C4'-P energy: -18.187
tors. eta vs tors. theta energy: -17.120
Dist. restrs. and SS energy: 1.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -235.752991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.752991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.732885 (E_RNA)
where:
Base-Base interactions energy: -145.624
where: short stacking energy: -73.541
Base-Backbone interact. energy: -0.110
local terms energy: -90.998346
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -22.960
flat angles C4'-P-C4' energy: -24.054
flat angles P-C4'-P energy: -8.078
tors. eta vs tors. theta energy: -19.891
Dist. restrs. and SS energy: 0.980 (S_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: 173
Temperature: 1.250000
Total energy: -206.630472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.630472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.888157 (E_RNA)
where:
Base-Base interactions energy: -121.221
where: short stacking energy: -61.292
Base-Backbone interact. energy: -0.099
local terms energy: -85.568087
where:
bonds (distance) C4'-P energy: -20.067
bonds (distance) P-C4' energy: -20.494
flat angles C4'-P-C4' energy: -20.183
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -13.995
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: 9, replica: 2
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -215.584693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.584693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.721165 (E_RNA)
where:
Base-Base interactions energy: -125.761
where: short stacking energy: -67.970
Base-Backbone interact. energy: -0.157
local terms energy: -89.803242
where:
bonds (distance) C4'-P energy: -11.803
bonds (distance) P-C4' energy: -22.674
flat angles C4'-P-C4' energy: -19.948
flat angles P-C4'-P energy: -17.585
tors. eta vs tors. theta energy: -17.793
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -207.654179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.654179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.779151 (E_RNA)
where:
Base-Base interactions energy: -125.382
where: short stacking energy: -65.446
Base-Backbone interact. energy: -1.190
local terms energy: -81.206714
where:
bonds (distance) C4'-P energy: -20.755
bonds (distance) P-C4' energy: -17.056
flat angles C4'-P-C4' energy: -17.074
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -15.827
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: 1, replica: 4
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -283.501758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.501758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.992177 (E_RNA)
where:
Base-Base interactions energy: -180.481
where: short stacking energy: -84.111
Base-Backbone interact. energy: -0.561
local terms energy: -102.950493
where:
bonds (distance) C4'-P energy: -19.133
bonds (distance) P-C4' energy: -22.526
flat angles C4'-P-C4' energy: -25.329
flat angles P-C4'-P energy: -14.316
tors. eta vs tors. theta energy: -21.647
Dist. restrs. and SS energy: 0.490 (S_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: 174
Temperature: 0.950000
Total energy: -277.547762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.547762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.726361 (E_RNA)
where:
Base-Base interactions energy: -163.655
where: short stacking energy: -90.463
Base-Backbone interact. energy: 0.415
local terms energy: -114.485828
where:
bonds (distance) C4'-P energy: -25.655
bonds (distance) P-C4' energy: -22.605
flat angles C4'-P-C4' energy: -25.976
flat angles P-C4'-P energy: -16.074
tors. eta vs tors. theta energy: -24.177
Dist. restrs. and SS energy: 0.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -270.359696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.359696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.367088 (E_RNA)
where:
Base-Base interactions energy: -176.413
where: short stacking energy: -100.355
Base-Backbone interact. energy: -0.033
local terms energy: -93.921600
where:
bonds (distance) C4'-P energy: -19.956
bonds (distance) P-C4' energy: -23.694
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -14.553
tors. eta vs tors. theta energy: -20.949
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: 174
Temperature: 1.050000
Total energy: -263.608236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.608236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.634511 (E_RNA)
where:
Base-Base interactions energy: -165.533
where: short stacking energy: -95.429
Base-Backbone interact. energy: -0.029
local terms energy: -98.072665
where:
bonds (distance) C4'-P energy: -19.387
bonds (distance) P-C4' energy: -18.544
flat angles C4'-P-C4' energy: -20.774
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -27.871
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -255.141492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.141492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.516865 (E_RNA)
where:
Base-Base interactions energy: -155.364
where: short stacking energy: -87.660
Base-Backbone interact. energy: -0.132
local terms energy: -100.021398
where:
bonds (distance) C4'-P energy: -19.221
bonds (distance) P-C4' energy: -23.129
flat angles C4'-P-C4' energy: -26.342
flat angles P-C4'-P energy: -14.115
tors. eta vs tors. theta energy: -17.215
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: 6, replica: 5
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -228.976800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.976800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.078123 (E_RNA)
where:
Base-Base interactions energy: -133.837
where: short stacking energy: -76.997
Base-Backbone interact. energy: -0.872
local terms energy: -94.369114
where:
bonds (distance) C4'-P energy: -17.952
bonds (distance) P-C4' energy: -22.729
flat angles C4'-P-C4' energy: -19.437
flat angles P-C4'-P energy: -14.222
tors. eta vs tors. theta energy: -20.029
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: 10
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -214.365585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.365585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.420328 (E_RNA)
where:
Base-Base interactions energy: -126.214
where: short stacking energy: -68.655
Base-Backbone interact. energy: -0.237
local terms energy: -87.970161
where:
bonds (distance) C4'-P energy: -24.876
bonds (distance) P-C4' energy: -19.794
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -13.118
tors. eta vs tors. theta energy: -12.775
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: 1
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -227.864191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.864191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.771310 (E_RNA)
where:
Base-Base interactions energy: -142.747
where: short stacking energy: -74.002
Base-Backbone interact. energy: -1.431
local terms energy: -84.593387
where:
bonds (distance) C4'-P energy: -17.285
bonds (distance) P-C4' energy: -18.990
flat angles C4'-P-C4' energy: -19.145
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -17.762
Dist. restrs. and SS energy: 0.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -203.724218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.724218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.726562 (E_RNA)
where:
Base-Base interactions energy: -119.152
where: short stacking energy: -59.083
Base-Backbone interact. energy: 0.813
local terms energy: -85.387373
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -23.816
flat angles C4'-P-C4' energy: -18.618
flat angles P-C4'-P energy: -14.061
tors. eta vs tors. theta energy: -13.991
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: 2
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -209.019504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.019504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.190512 (E_RNA)
where:
Base-Base interactions energy: -127.636
where: short stacking energy: -61.878
Base-Backbone interact. energy: -0.367
local terms energy: -81.187472
where:
bonds (distance) C4'-P energy: -22.405
bonds (distance) P-C4' energy: -21.648
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -7.566
tors. eta vs tors. theta energy: -12.371
Dist. restrs. and SS energy: 0.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -284.726628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.726628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.923412 (E_RNA)
where:
Base-Base interactions energy: -179.350
where: short stacking energy: -98.228
Base-Backbone interact. energy: -0.246
local terms energy: -105.326862
where:
bonds (distance) C4'-P energy: -21.222
bonds (distance) P-C4' energy: -20.241
flat angles C4'-P-C4' energy: -24.280
flat angles P-C4'-P energy: -15.944
tors. eta vs tors. theta energy: -23.640
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: 2, replica: 3
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -277.537034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.537034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.537034 (E_RNA)
where:
Base-Base interactions energy: -171.185
where: short stacking energy: -94.456
Base-Backbone interact. energy: -0.031
local terms energy: -106.321211
where:
bonds (distance) C4'-P energy: -24.716
bonds (distance) P-C4' energy: -26.135
flat angles C4'-P-C4' energy: -22.119
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: -22.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -272.852805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.852805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.930954 (E_RNA)
where:
Base-Base interactions energy: -165.167
where: short stacking energy: -96.379
Base-Backbone interact. energy: -0.003
local terms energy: -107.761807
where:
bonds (distance) C4'-P energy: -20.944
bonds (distance) P-C4' energy: -21.377
flat angles C4'-P-C4' energy: -24.487
flat angles P-C4'-P energy: -15.444
tors. eta vs tors. theta energy: -25.509
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: 7
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -275.942612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.942612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.942612 (E_RNA)
where:
Base-Base interactions energy: -164.469
where: short stacking energy: -89.796
Base-Backbone interact. energy: 0.981
local terms energy: -112.455233
where:
bonds (distance) C4'-P energy: -25.121
bonds (distance) P-C4' energy: -19.977
flat angles C4'-P-C4' energy: -25.190
flat angles P-C4'-P energy: -13.379
tors. eta vs tors. theta energy: -28.787
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -260.972629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.972629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.208312 (E_RNA)
where:
Base-Base interactions energy: -149.949
where: short stacking energy: -88.055
Base-Backbone interact. energy: 1.243
local terms energy: -112.502724
where:
bonds (distance) C4'-P energy: -21.453
bonds (distance) P-C4' energy: -22.488
flat angles C4'-P-C4' energy: -24.767
flat angles P-C4'-P energy: -17.001
tors. eta vs tors. theta energy: -26.793
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: 6, replica: 5
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -224.557897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.557897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.252156 (E_RNA)
where:
Base-Base interactions energy: -145.135
where: short stacking energy: -67.972
Base-Backbone interact. energy: 0.518
local terms energy: -81.635447
where:
bonds (distance) C4'-P energy: -10.500
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -24.072
flat angles P-C4'-P energy: -14.975
tors. eta vs tors. theta energy: -12.955
Dist. restrs. and SS energy: 1.694 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -219.990819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.990819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.625774 (E_RNA)
where:
Base-Base interactions energy: -144.656
where: short stacking energy: -75.746
Base-Backbone interact. energy: -0.395
local terms energy: -75.574525
where:
bonds (distance) C4'-P energy: -11.746
bonds (distance) P-C4' energy: -21.441
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -16.493
Dist. restrs. and SS energy: 0.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -211.321663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.321663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.321663 (E_RNA)
where:
Base-Base interactions energy: -124.004
where: short stacking energy: -66.496
Base-Backbone interact. energy: -0.289
local terms energy: -87.028714
where:
bonds (distance) C4'-P energy: -23.597
bonds (distance) P-C4' energy: -17.755
flat angles C4'-P-C4' energy: -18.985
flat angles P-C4'-P energy: -10.947
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: 9, replica: 1
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -222.384907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.384907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.379572 (E_RNA)
where:
Base-Base interactions energy: -132.865
where: short stacking energy: -58.791
Base-Backbone interact. energy: -0.216
local terms energy: -91.299072
where:
bonds (distance) C4'-P energy: -22.136
bonds (distance) P-C4' energy: -14.827
flat angles C4'-P-C4' energy: -21.819
flat angles P-C4'-P energy: -15.746
tors. eta vs tors. theta energy: -16.771
Dist. restrs. and SS energy: 1.995 (S_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: 175
Temperature: 1.350000
Total energy: -221.117600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.117600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.148518 (E_RNA)
where:
Base-Base interactions energy: -144.088
where: short stacking energy: -64.436
Base-Backbone interact. energy: -0.113
local terms energy: -77.948055
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -18.061
flat angles C4'-P-C4' energy: -17.156
flat angles P-C4'-P energy: -12.974
tors. eta vs tors. theta energy: -16.201
Dist. restrs. and SS energy: 1.031 (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: 3
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -301.824007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.824007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.838763 (E_RNA)
where:
Base-Base interactions energy: -174.596
where: short stacking energy: -100.925
Base-Backbone interact. energy: -0.298
local terms energy: -126.944169
where:
bonds (distance) C4'-P energy: -25.255
bonds (distance) P-C4' energy: -25.993
flat angles C4'-P-C4' energy: -25.459
flat angles P-C4'-P energy: -20.097
tors. eta vs tors. theta energy: -30.140
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: 4
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -280.448173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.448173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.486528 (E_RNA)
where:
Base-Base interactions energy: -173.514
where: short stacking energy: -90.642
Base-Backbone interact. energy: 0.751
local terms energy: -107.723569
where:
bonds (distance) C4'-P energy: -24.712
bonds (distance) P-C4' energy: -22.097
flat angles C4'-P-C4' energy: -21.595
flat angles P-C4'-P energy: -16.896
tors. eta vs tors. theta energy: -22.424
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -277.383970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.383970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.465116 (E_RNA)
where:
Base-Base interactions energy: -167.917
where: short stacking energy: -101.797
Base-Backbone interact. energy: -0.494
local terms energy: -109.054690
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -20.988
flat angles C4'-P-C4' energy: -23.878
flat angles P-C4'-P energy: -22.429
tors. eta vs tors. theta energy: -27.464
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: 176
Temperature: 1.050000
Total energy: -271.077368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.077368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.094783 (E_RNA)
where:
Base-Base interactions energy: -170.965
where: short stacking energy: -85.766
Base-Backbone interact. energy: 1.062
local terms energy: -101.191694
where:
bonds (distance) C4'-P energy: -18.138
bonds (distance) P-C4' energy: -19.616
flat angles C4'-P-C4' energy: -26.259
flat angles P-C4'-P energy: -14.075
tors. eta vs tors. theta energy: -23.105
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: 8
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -260.148186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.148186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.243465 (E_RNA)
where:
Base-Base interactions energy: -161.566
where: short stacking energy: -81.726
Base-Backbone interact. energy: -0.129
local terms energy: -98.547771
where:
bonds (distance) C4'-P energy: -20.032
bonds (distance) P-C4' energy: -23.314
flat angles C4'-P-C4' energy: -19.425
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: -22.638
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: 5
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -212.361640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.361640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.373042 (E_RNA)
where:
Base-Base interactions energy: -113.807
where: short stacking energy: -50.963
Base-Backbone interact. energy: 0.103
local terms energy: -98.669333
where:
bonds (distance) C4'-P energy: -19.434
bonds (distance) P-C4' energy: -24.553
flat angles C4'-P-C4' energy: -23.952
flat angles P-C4'-P energy: -17.693
tors. eta vs tors. theta energy: -13.037
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -229.827502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.827502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.133054 (E_RNA)
where:
Base-Base interactions energy: -141.921
where: short stacking energy: -64.186
Base-Backbone interact. energy: 1.059
local terms energy: -89.270084
where:
bonds (distance) C4'-P energy: -20.881
bonds (distance) P-C4' energy: -17.427
flat angles C4'-P-C4' energy: -19.115
flat angles P-C4'-P energy: -13.223
tors. eta vs tors. theta energy: -18.623
Dist. restrs. and SS energy: 0.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -229.076964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.076964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.562440 (E_RNA)
where:
Base-Base interactions energy: -137.152
where: short stacking energy: -62.271
Base-Backbone interact. energy: -0.495
local terms energy: -92.915989
where:
bonds (distance) C4'-P energy: -18.980
bonds (distance) P-C4' energy: -22.237
flat angles C4'-P-C4' energy: -19.208
flat angles P-C4'-P energy: -14.022
tors. eta vs tors. theta energy: -18.469
Dist. restrs. and SS energy: 1.485 (S_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: 176
Temperature: 1.300000
Total energy: -217.457187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.457187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.552590 (E_RNA)
where:
Base-Base interactions energy: -138.625
where: short stacking energy: -66.330
Base-Backbone interact. energy: 2.151
local terms energy: -81.078549
where:
bonds (distance) C4'-P energy: -21.516
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -18.844
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -18.169
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: 1
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -204.200368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.200368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.386819 (E_RNA)
where:
Base-Base interactions energy: -120.577
where: short stacking energy: -50.705
Base-Backbone interact. energy: -0.223
local terms energy: -83.586478
where:
bonds (distance) C4'-P energy: -23.201
bonds (distance) P-C4' energy: -24.899
flat angles C4'-P-C4' energy: -18.458
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -6.971
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: 1, replica: 3
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -294.150461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.150461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.559929 (E_RNA)
where:
Base-Base interactions energy: -183.339
where: short stacking energy: -98.143
Base-Backbone interact. energy: -0.323
local terms energy: -110.897815
where:
bonds (distance) C4'-P energy: -18.936
bonds (distance) P-C4' energy: -23.622
flat angles C4'-P-C4' energy: -21.691
flat angles P-C4'-P energy: -20.409
tors. eta vs tors. theta energy: -26.241
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: 2, replica: 4
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -291.645562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.645562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.645562 (E_RNA)
where:
Base-Base interactions energy: -179.791
where: short stacking energy: -102.049
Base-Backbone interact. energy: 0.414
local terms energy: -112.269133
where:
bonds (distance) C4'-P energy: -21.440
bonds (distance) P-C4' energy: -25.742
flat angles C4'-P-C4' energy: -21.535
flat angles P-C4'-P energy: -13.928
tors. eta vs tors. theta energy: -29.624
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -259.915584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.915584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.954108 (E_RNA)
where:
Base-Base interactions energy: -153.110
where: short stacking energy: -75.611
Base-Backbone interact. energy: -0.293
local terms energy: -106.551157
where:
bonds (distance) C4'-P energy: -25.129
bonds (distance) P-C4' energy: -24.666
flat angles C4'-P-C4' energy: -21.709
flat angles P-C4'-P energy: -17.591
tors. eta vs tors. theta energy: -17.456
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: 177
Temperature: 1.050000
Total energy: -274.048422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.048422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.785231 (E_RNA)
where:
Base-Base interactions energy: -172.572
where: short stacking energy: -89.348
Base-Backbone interact. energy: -0.300
local terms energy: -101.912305
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -23.870
flat angles C4'-P-C4' energy: -23.360
flat angles P-C4'-P energy: -15.941
tors. eta vs tors. theta energy: -25.893
Dist. restrs. and SS energy: 0.737 (S_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: 177
Temperature: 1.100000
Total energy: -263.269742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.269742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.337756 (E_RNA)
where:
Base-Base interactions energy: -164.353
where: short stacking energy: -83.637
Base-Backbone interact. energy: -1.021
local terms energy: -97.963645
where:
bonds (distance) C4'-P energy: -22.016
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -24.254
flat angles P-C4'-P energy: -13.333
tors. eta vs tors. theta energy: -21.974
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: 6
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -243.346291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.346291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.384953 (E_RNA)
where:
Base-Base interactions energy: -144.649
where: short stacking energy: -66.016
Base-Backbone interact. energy: -0.250
local terms energy: -98.485680
where:
bonds (distance) C4'-P energy: -19.102
bonds (distance) P-C4' energy: -25.727
flat angles C4'-P-C4' energy: -25.342
flat angles P-C4'-P energy: -12.301
tors. eta vs tors. theta energy: -16.015
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: 5
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -221.869717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.869717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.416261 (E_RNA)
where:
Base-Base interactions energy: -133.918
where: short stacking energy: -68.810
Base-Backbone interact. energy: -0.289
local terms energy: -89.209603
where:
bonds (distance) C4'-P energy: -18.556
bonds (distance) P-C4' energy: -22.358
flat angles C4'-P-C4' energy: -19.443
flat angles P-C4'-P energy: -13.109
tors. eta vs tors. theta energy: -15.745
Dist. restrs. and SS energy: 1.547 (S_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: 177
Temperature: 1.250000
Total energy: -224.995604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.995604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.030597 (E_RNA)
where:
Base-Base interactions energy: -139.162
where: short stacking energy: -64.144
Base-Backbone interact. energy: -0.145
local terms energy: -85.723431
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -23.250
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -15.072
tors. eta vs tors. theta energy: -16.327
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: 10
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -220.567237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.567237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.581741 (E_RNA)
where:
Base-Base interactions energy: -136.325
where: short stacking energy: -71.801
Base-Backbone interact. energy: -0.405
local terms energy: -83.852231
where:
bonds (distance) C4'-P energy: -19.019
bonds (distance) P-C4' energy: -18.995
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -14.287
tors. eta vs tors. theta energy: -16.243
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: 1
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -211.312489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.312489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.520355 (E_RNA)
where:
Base-Base interactions energy: -126.037
where: short stacking energy: -64.507
Base-Backbone interact. energy: -0.096
local terms energy: -85.387696
where:
bonds (distance) C4'-P energy: -13.500
bonds (distance) P-C4' energy: -25.272
flat angles C4'-P-C4' energy: -20.838
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -15.715
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: 3
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -303.973947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.973947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.371508 (E_RNA)
where:
Base-Base interactions energy: -185.203
where: short stacking energy: -100.315
Base-Backbone interact. energy: -0.004
local terms energy: -120.164168
where:
bonds (distance) C4'-P energy: -23.044
bonds (distance) P-C4' energy: -24.528
flat angles C4'-P-C4' energy: -22.348
flat angles P-C4'-P energy: -18.780
tors. eta vs tors. theta energy: -31.465
Dist. restrs. and SS energy: 1.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -282.551626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.551626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.686486 (E_RNA)
where:
Base-Base interactions energy: -174.343
where: short stacking energy: -96.849
Base-Backbone interact. energy: -0.257
local terms energy: -108.085683
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -25.543
flat angles C4'-P-C4' energy: -23.792
flat angles P-C4'-P energy: -17.154
tors. eta vs tors. theta energy: -25.654
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: 7
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -296.784665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.784665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.336402 (E_RNA)
where:
Base-Base interactions energy: -182.038
where: short stacking energy: -105.135
Base-Backbone interact. energy: -0.013
local terms energy: -116.286384
where:
bonds (distance) C4'-P energy: -21.937
bonds (distance) P-C4' energy: -23.958
flat angles C4'-P-C4' energy: -23.425
flat angles P-C4'-P energy: -15.123
tors. eta vs tors. theta energy: -31.843
Dist. restrs. and SS energy: 1.552 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -273.417520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.417520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.608638 (E_RNA)
where:
Base-Base interactions energy: -166.469
where: short stacking energy: -90.481
Base-Backbone interact. energy: -0.102
local terms energy: -107.037578
where:
bonds (distance) C4'-P energy: -21.992
bonds (distance) P-C4' energy: -22.316
flat angles C4'-P-C4' energy: -19.236
flat angles P-C4'-P energy: -15.273
tors. eta vs tors. theta energy: -28.220
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: 5, replica: 6
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -248.035271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.035271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.197660 (E_RNA)
where:
Base-Base interactions energy: -142.490
where: short stacking energy: -70.821
Base-Backbone interact. energy: -0.677
local terms energy: -105.030395
where:
bonds (distance) C4'-P energy: -22.033
bonds (distance) P-C4' energy: -20.121
flat angles C4'-P-C4' energy: -21.798
flat angles P-C4'-P energy: -16.524
tors. eta vs tors. theta energy: -24.554
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: 8
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -228.424683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.424683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.632957 (E_RNA)
where:
Base-Base interactions energy: -131.984
where: short stacking energy: -69.184
Base-Backbone interact. energy: 4.436
local terms energy: -101.084482
where:
bonds (distance) C4'-P energy: -21.330
bonds (distance) P-C4' energy: -21.581
flat angles C4'-P-C4' energy: -22.868
flat angles P-C4'-P energy: -16.846
tors. eta vs tors. theta energy: -18.460
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: 2
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -227.485470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.485470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.531986 (E_RNA)
where:
Base-Base interactions energy: -136.059
where: short stacking energy: -68.378
Base-Backbone interact. energy: -0.311
local terms energy: -91.161540
where:
bonds (distance) C4'-P energy: -17.956
bonds (distance) P-C4' energy: -18.427
flat angles C4'-P-C4' energy: -22.813
flat angles P-C4'-P energy: -12.824
tors. eta vs tors. theta energy: -19.140
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: 178
Temperature: 1.250000
Total energy: -205.152521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.152521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.392114 (E_RNA)
where:
Base-Base interactions energy: -126.591
where: short stacking energy: -56.173
Base-Backbone interact. energy: -0.503
local terms energy: -78.297618
where:
bonds (distance) C4'-P energy: -19.860
bonds (distance) P-C4' energy: -19.567
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -16.670
tors. eta vs tors. theta energy: -8.359
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: 9, replica: 1
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -220.230672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.230672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.722187 (E_RNA)
where:
Base-Base interactions energy: -137.750
where: short stacking energy: -69.721
Base-Backbone interact. energy: -0.218
local terms energy: -83.753857
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -24.466
flat angles C4'-P-C4' energy: -17.393
flat angles P-C4'-P energy: -14.338
tors. eta vs tors. theta energy: -12.282
Dist. restrs. and SS energy: 1.492 (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: 10
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -205.193036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.193036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.293134 (E_RNA)
where:
Base-Base interactions energy: -132.421
where: short stacking energy: -62.545
Base-Backbone interact. energy: 2.476
local terms energy: -75.348399
where:
bonds (distance) C4'-P energy: -20.352
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -11.592
tors. eta vs tors. theta energy: -14.866
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -313.601438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.601438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.413578 (E_RNA)
where:
Base-Base interactions energy: -198.900
where: short stacking energy: -114.986
Base-Backbone interact. energy: -0.018
local terms energy: -115.495278
where:
bonds (distance) C4'-P energy: -18.099
bonds (distance) P-C4' energy: -20.696
flat angles C4'-P-C4' energy: -26.495
flat angles P-C4'-P energy: -13.734
tors. eta vs tors. theta energy: -36.471
Dist. restrs. and SS energy: 0.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -290.870269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.870269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.202260 (E_RNA)
where:
Base-Base interactions energy: -175.186
where: short stacking energy: -97.458
Base-Backbone interact. energy: -0.002
local terms energy: -116.013771
where:
bonds (distance) C4'-P energy: -22.823
bonds (distance) P-C4' energy: -22.460
flat angles C4'-P-C4' energy: -22.601
flat angles P-C4'-P energy: -17.767
tors. eta vs tors. theta energy: -30.363
Dist. restrs. and SS energy: 0.332 (S_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: 179
Temperature: 1.000000
Total energy: -264.824768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.824768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.824794 (E_RNA)
where:
Base-Base interactions energy: -158.983
where: short stacking energy: -87.530
Base-Backbone interact. energy: -0.123
local terms energy: -105.718845
where:
bonds (distance) C4'-P energy: -21.555
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -22.371
flat angles P-C4'-P energy: -15.321
tors. eta vs tors. theta energy: -24.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -260.211449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.211449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.636793 (E_RNA)
where:
Base-Base interactions energy: -156.534
where: short stacking energy: -87.899
Base-Backbone interact. energy: -0.225
local terms energy: -104.878456
where:
bonds (distance) C4'-P energy: -19.102
bonds (distance) P-C4' energy: -21.559
flat angles C4'-P-C4' energy: -28.364
flat angles P-C4'-P energy: -12.464
tors. eta vs tors. theta energy: -23.389
Dist. restrs. and SS energy: 1.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -249.948863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.948863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.027653 (E_RNA)
where:
Base-Base interactions energy: -150.231
where: short stacking energy: -90.610
Base-Backbone interact. energy: -0.207
local terms energy: -99.589446
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -24.490
flat angles C4'-P-C4' energy: -20.374
flat angles P-C4'-P energy: -16.847
tors. eta vs tors. theta energy: -21.525
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -241.891236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.891236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.539436 (E_RNA)
where:
Base-Base interactions energy: -151.050
where: short stacking energy: -83.037
Base-Backbone interact. energy: -0.171
local terms energy: -91.318507
where:
bonds (distance) C4'-P energy: -19.651
bonds (distance) P-C4' energy: -20.717
flat angles C4'-P-C4' energy: -17.946
flat angles P-C4'-P energy: -13.172
tors. eta vs tors. theta energy: -19.833
Dist. restrs. and SS energy: 0.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -221.635506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.635506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.748841 (E_RNA)
where:
Base-Base interactions energy: -134.559
where: short stacking energy: -65.981
Base-Backbone interact. energy: -0.012
local terms energy: -87.177790
where:
bonds (distance) C4'-P energy: -18.789
bonds (distance) P-C4' energy: -23.993
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -14.457
tors. eta vs tors. theta energy: -12.354
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: 1
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -213.695470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.695470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.803280 (E_RNA)
where:
Base-Base interactions energy: -127.855
where: short stacking energy: -60.224
Base-Backbone interact. energy: -0.800
local terms energy: -85.147468
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -18.850
flat angles C4'-P-C4' energy: -21.635
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: -14.589
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -210.054759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.054759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.100134 (E_RNA)
where:
Base-Base interactions energy: -134.922
where: short stacking energy: -68.987
Base-Backbone interact. energy: -0.184
local terms energy: -74.994660
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -17.548
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -15.479
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: 10, replica: 10
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -199.206349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.206349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.496677 (E_RNA)
where:
Base-Base interactions energy: -117.636
where: short stacking energy: -54.064
Base-Backbone interact. energy: 0.243
local terms energy: -82.103161
where:
bonds (distance) C4'-P energy: -23.274
bonds (distance) P-C4' energy: -17.805
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -17.846
tors. eta vs tors. theta energy: -8.918
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: 1, replica: 7
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -298.937534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.937534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.447706 (E_RNA)
where:
Base-Base interactions energy: -180.381
where: short stacking energy: -89.724
Base-Backbone interact. energy: -0.106
local terms energy: -119.961081
where:
bonds (distance) C4'-P energy: -25.382
bonds (distance) P-C4' energy: -23.788
flat angles C4'-P-C4' energy: -25.762
flat angles P-C4'-P energy: -15.668
tors. eta vs tors. theta energy: -29.360
Dist. restrs. and SS energy: 1.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -303.051753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.051753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.914245 (E_RNA)
where:
Base-Base interactions energy: -183.052
where: short stacking energy: -112.947
Base-Backbone interact. energy: -0.043
local terms energy: -120.819779
where:
bonds (distance) C4'-P energy: -23.991
bonds (distance) P-C4' energy: -23.364
flat angles C4'-P-C4' energy: -23.235
flat angles P-C4'-P energy: -16.769
tors. eta vs tors. theta energy: -33.461
Dist. restrs. and SS energy: 0.862 (S_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: 180
Temperature: 1.000000
Total energy: -272.028906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.028906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.086714 (E_RNA)
where:
Base-Base interactions energy: -173.757
where: short stacking energy: -100.935
Base-Backbone interact. energy: -0.258
local terms energy: -98.071607
where:
bonds (distance) C4'-P energy: -22.484
bonds (distance) P-C4' energy: -9.312
flat angles C4'-P-C4' energy: -22.896
flat angles P-C4'-P energy: -17.139
tors. eta vs tors. theta energy: -26.240
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -263.726983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.726983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.956419 (E_RNA)
where:
Base-Base interactions energy: -156.493
where: short stacking energy: -84.000
Base-Backbone interact. energy: -0.008
local terms energy: -107.455943
where:
bonds (distance) C4'-P energy: -20.973
bonds (distance) P-C4' energy: -25.265
flat angles C4'-P-C4' energy: -20.366
flat angles P-C4'-P energy: -15.218
tors. eta vs tors. theta energy: -25.634
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: 9
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -261.642352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.642352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.697526 (E_RNA)
where:
Base-Base interactions energy: -158.240
where: short stacking energy: -89.815
Base-Backbone interact. energy: -0.488
local terms energy: -102.969728
where:
bonds (distance) C4'-P energy: -19.930
bonds (distance) P-C4' energy: -18.601
flat angles C4'-P-C4' energy: -23.796
flat angles P-C4'-P energy: -17.016
tors. eta vs tors. theta energy: -23.626
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: 8
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -235.824549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.824549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.835479 (E_RNA)
where:
Base-Base interactions energy: -140.719
where: short stacking energy: -70.318
Base-Backbone interact. energy: -0.171
local terms energy: -94.945306
where:
bonds (distance) C4'-P energy: -19.242
bonds (distance) P-C4' energy: -23.649
flat angles C4'-P-C4' energy: -23.559
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -15.783
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: 1
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -224.929589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.929589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.975621 (E_RNA)
where:
Base-Base interactions energy: -135.831
where: short stacking energy: -61.787
Base-Backbone interact. energy: 0.222
local terms energy: -89.367105
where:
bonds (distance) C4'-P energy: -22.554
bonds (distance) P-C4' energy: -21.925
flat angles C4'-P-C4' energy: -18.439
flat angles P-C4'-P energy: -15.122
tors. eta vs tors. theta energy: -11.328
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: 2
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -216.374853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.374853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.417213 (E_RNA)
where:
Base-Base interactions energy: -128.804
where: short stacking energy: -60.794
Base-Backbone interact. energy: -0.098
local terms energy: -87.514958
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -19.425
flat angles C4'-P-C4' energy: -20.285
flat angles P-C4'-P energy: -15.133
tors. eta vs tors. theta energy: -15.184
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -214.988718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.988718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.024024 (E_RNA)
where:
Base-Base interactions energy: -136.430
where: short stacking energy: -69.675
Base-Backbone interact. energy: -0.282
local terms energy: -78.311965
where:
bonds (distance) C4'-P energy: -18.993
bonds (distance) P-C4' energy: -18.831
flat angles C4'-P-C4' energy: -19.294
flat angles P-C4'-P energy: -12.720
tors. eta vs tors. theta energy: -8.474
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: 180
Temperature: 1.350000
Total energy: -217.276182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.276182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.337746 (E_RNA)
where:
Base-Base interactions energy: -132.456
where: short stacking energy: -63.879
Base-Backbone interact. energy: -0.481
local terms energy: -84.400440
where:
bonds (distance) C4'-P energy: -13.381
bonds (distance) P-C4' energy: -20.075
flat angles C4'-P-C4' energy: -23.949
flat angles P-C4'-P energy: -14.275
tors. eta vs tors. theta energy: -12.720
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: 181
Temperature: 0.900000
Total energy: -309.399749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.399749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.482905 (E_RNA)
where:
Base-Base interactions energy: -191.725
where: short stacking energy: -104.468
Base-Backbone interact. energy: -0.100
local terms energy: -118.657733
where:
bonds (distance) C4'-P energy: -23.187
bonds (distance) P-C4' energy: -19.123
flat angles C4'-P-C4' energy: -23.419
flat angles P-C4'-P energy: -20.030
tors. eta vs tors. theta energy: -32.898
Dist. restrs. and SS energy: 1.083 (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: 3
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -305.214268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.214268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.274435 (E_RNA)
where:
Base-Base interactions energy: -187.143
where: short stacking energy: -115.694
Base-Backbone interact. energy: -0.099
local terms energy: -118.033057
where:
bonds (distance) C4'-P energy: -19.086
bonds (distance) P-C4' energy: -24.122
flat angles C4'-P-C4' energy: -26.409
flat angles P-C4'-P energy: -12.477
tors. eta vs tors. theta energy: -35.938
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: 4
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -281.841188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.841188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.904626 (E_RNA)
where:
Base-Base interactions energy: -171.727
where: short stacking energy: -104.743
Base-Backbone interact. energy: -0.047
local terms energy: -110.130119
where:
bonds (distance) C4'-P energy: -16.307
bonds (distance) P-C4' energy: -18.794
flat angles C4'-P-C4' energy: -23.742
flat angles P-C4'-P energy: -18.030
tors. eta vs tors. theta energy: -33.257
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: 181
Temperature: 1.050000
Total energy: -242.652171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.652171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.594260 (E_RNA)
where:
Base-Base interactions energy: -153.289
where: short stacking energy: -81.987
Base-Backbone interact. energy: 1.193
local terms energy: -91.497648
where:
bonds (distance) C4'-P energy: -20.312
bonds (distance) P-C4' energy: -21.282
flat angles C4'-P-C4' energy: -19.186
flat angles P-C4'-P energy: -10.360
tors. eta vs tors. theta energy: -20.357
Dist. restrs. and SS energy: 0.942 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -265.449229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.449229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.855324 (E_RNA)
where:
Base-Base interactions energy: -164.685
where: short stacking energy: -85.907
Base-Backbone interact. energy: -0.095
local terms energy: -102.075997
where:
bonds (distance) C4'-P energy: -25.490
bonds (distance) P-C4' energy: -20.774
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -11.216
tors. eta vs tors. theta energy: -27.735
Dist. restrs. and SS energy: 1.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -221.501580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.501580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.501580 (E_RNA)
where:
Base-Base interactions energy: -124.308
where: short stacking energy: -63.623
Base-Backbone interact. energy: -0.060
local terms energy: -97.133432
where:
bonds (distance) C4'-P energy: -21.850
bonds (distance) P-C4' energy: -23.214
flat angles C4'-P-C4' energy: -18.176
flat angles P-C4'-P energy: -16.491
tors. eta vs tors. theta energy: -17.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -228.158247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.158247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.238705 (E_RNA)
where:
Base-Base interactions energy: -131.936
where: short stacking energy: -71.054
Base-Backbone interact. energy: -0.066
local terms energy: -96.237276
where:
bonds (distance) C4'-P energy: -17.404
bonds (distance) P-C4' energy: -23.423
flat angles C4'-P-C4' energy: -20.268
flat angles P-C4'-P energy: -18.012
tors. eta vs tors. theta energy: -17.130
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: 2
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -239.362492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.362492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.394969 (E_RNA)
where:
Base-Base interactions energy: -142.547
where: short stacking energy: -77.991
Base-Backbone interact. energy: -0.078
local terms energy: -96.770135
where:
bonds (distance) C4'-P energy: -20.716
bonds (distance) P-C4' energy: -22.702
flat angles C4'-P-C4' energy: -18.652
flat angles P-C4'-P energy: -14.515
tors. eta vs tors. theta energy: -20.186
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -218.865713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.865713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.072450 (E_RNA)
where:
Base-Base interactions energy: -144.840
where: short stacking energy: -71.189
Base-Backbone interact. energy: -0.074
local terms energy: -74.158848
where:
bonds (distance) C4'-P energy: -17.591
bonds (distance) P-C4' energy: -7.875
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: -20.026
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: 10
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -198.585405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.585405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.856394 (E_RNA)
where:
Base-Base interactions energy: -114.434
where: short stacking energy: -53.171
Base-Backbone interact. energy: -0.379
local terms energy: -84.043747
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -20.145
flat angles C4'-P-C4' energy: -21.513
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -13.539
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: 1, replica: 7
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -299.604476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.604476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.406450 (E_RNA)
where:
Base-Base interactions energy: -195.143
where: short stacking energy: -101.043
Base-Backbone interact. energy: -0.033
local terms energy: -107.230006
where:
bonds (distance) C4'-P energy: -21.180
bonds (distance) P-C4' energy: -24.455
flat angles C4'-P-C4' energy: -20.446
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -28.890
Dist. restrs. and SS energy: 2.802 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -280.794601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.794601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.023946 (E_RNA)
where:
Base-Base interactions energy: -167.141
where: short stacking energy: -93.396
Base-Backbone interact. energy: -0.061
local terms energy: -113.821927
where:
bonds (distance) C4'-P energy: -21.801
bonds (distance) P-C4' energy: -20.993
flat angles C4'-P-C4' energy: -22.670
flat angles P-C4'-P energy: -17.706
tors. eta vs tors. theta energy: -30.652
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: 3, replica: 6
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -268.622932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.622932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.742744 (E_RNA)
where:
Base-Base interactions energy: -173.119
where: short stacking energy: -100.070
Base-Backbone interact. energy: -0.310
local terms energy: -95.314601
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -21.066
flat angles C4'-P-C4' energy: -21.418
flat angles P-C4'-P energy: -13.612
tors. eta vs tors. theta energy: -22.669
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: 4
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -263.267744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.267744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.470730 (E_RNA)
where:
Base-Base interactions energy: -165.199
where: short stacking energy: -93.544
Base-Backbone interact. energy: -0.007
local terms energy: -98.265073
where:
bonds (distance) C4'-P energy: -24.579
bonds (distance) P-C4' energy: -18.004
flat angles C4'-P-C4' energy: -19.866
flat angles P-C4'-P energy: -7.017
tors. eta vs tors. theta energy: -28.798
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: 5, replica: 9
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -254.305178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.305178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.350046 (E_RNA)
where:
Base-Base interactions energy: -157.473
where: short stacking energy: -90.456
Base-Backbone interact. energy: -0.887
local terms energy: -95.990137
where:
bonds (distance) C4'-P energy: -20.572
bonds (distance) P-C4' energy: -11.911
flat angles C4'-P-C4' energy: -24.586
flat angles P-C4'-P energy: -14.203
tors. eta vs tors. theta energy: -24.718
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -223.343976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.343976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.562219 (E_RNA)
where:
Base-Base interactions energy: -128.443
where: short stacking energy: -69.004
Base-Backbone interact. energy: -0.694
local terms energy: -94.424677
where:
bonds (distance) C4'-P energy: -23.490
bonds (distance) P-C4' energy: -19.850
flat angles C4'-P-C4' energy: -21.491
flat angles P-C4'-P energy: -17.770
tors. eta vs tors. theta energy: -11.823
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: 1
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -228.034299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.034299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.437707 (E_RNA)
where:
Base-Base interactions energy: -151.991
where: short stacking energy: -64.937
Base-Backbone interact. energy: -0.178
local terms energy: -76.268229
where:
bonds (distance) C4'-P energy: -11.881
bonds (distance) P-C4' energy: -18.303
flat angles C4'-P-C4' energy: -21.736
flat angles P-C4'-P energy: -13.257
tors. eta vs tors. theta energy: -11.091
Dist. restrs. and SS energy: 0.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -229.537849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.537849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.606637 (E_RNA)
where:
Base-Base interactions energy: -137.157
where: short stacking energy: -72.816
Base-Backbone interact. energy: -0.170
local terms energy: -92.280041
where:
bonds (distance) C4'-P energy: -20.584
bonds (distance) P-C4' energy: -17.807
flat angles C4'-P-C4' energy: -19.184
flat angles P-C4'-P energy: -16.135
tors. eta vs tors. theta energy: -18.569
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -205.397970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.397970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.483937 (E_RNA)
where:
Base-Base interactions energy: -114.160
where: short stacking energy: -47.904
Base-Backbone interact. energy: 0.014
local terms energy: -91.338392
where:
bonds (distance) C4'-P energy: -16.564
bonds (distance) P-C4' energy: -22.626
flat angles C4'-P-C4' energy: -22.417
flat angles P-C4'-P energy: -14.447
tors. eta vs tors. theta energy: -15.285
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: 10
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -213.296345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.296345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.385383 (E_RNA)
where:
Base-Base interactions energy: -124.452
where: short stacking energy: -64.082
Base-Backbone interact. energy: -0.297
local terms energy: -88.636099
where:
bonds (distance) C4'-P energy: -21.583
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -22.101
flat angles P-C4'-P energy: -17.089
tors. eta vs tors. theta energy: -11.612
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -300.730271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.730271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.423253 (E_RNA)
where:
Base-Base interactions energy: -199.192
where: short stacking energy: -100.064
Base-Backbone interact. energy: -0.198
local terms energy: -102.033394
where:
bonds (distance) C4'-P energy: -22.436
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -22.360
flat angles P-C4'-P energy: -16.549
tors. eta vs tors. theta energy: -24.833
Dist. restrs. and SS energy: 0.693 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -301.229365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.229365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.995250 (E_RNA)
where:
Base-Base interactions energy: -196.714
where: short stacking energy: -106.894
Base-Backbone interact. energy: -0.112
local terms energy: -105.168481
where:
bonds (distance) C4'-P energy: -18.189
bonds (distance) P-C4' energy: -19.839
flat angles C4'-P-C4' energy: -22.829
flat angles P-C4'-P energy: -14.302
tors. eta vs tors. theta energy: -30.009
Dist. restrs. and SS energy: 0.766 (S_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: 183
Temperature: 1.000000
Total energy: -267.639157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.639157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.639157 (E_RNA)
where:
Base-Base interactions energy: -168.154
where: short stacking energy: -81.013
Base-Backbone interact. energy: -0.363
local terms energy: -99.122113
where:
bonds (distance) C4'-P energy: -19.992
bonds (distance) P-C4' energy: -19.015
flat angles C4'-P-C4' energy: -21.499
flat angles P-C4'-P energy: -17.445
tors. eta vs tors. theta energy: -21.171
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -271.092388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.092388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.148974 (E_RNA)
where:
Base-Base interactions energy: -160.880
where: short stacking energy: -84.166
Base-Backbone interact. energy: -0.110
local terms energy: -110.159351
where:
bonds (distance) C4'-P energy: -23.721
bonds (distance) P-C4' energy: -25.113
flat angles C4'-P-C4' energy: -24.577
flat angles P-C4'-P energy: -15.118
tors. eta vs tors. theta energy: -21.631
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: 183
Temperature: 1.100000
Total energy: -252.223322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.223322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.342900 (E_RNA)
where:
Base-Base interactions energy: -158.792
where: short stacking energy: -86.233
Base-Backbone interact. energy: -0.120
local terms energy: -93.431150
where:
bonds (distance) C4'-P energy: -18.695
bonds (distance) P-C4' energy: -15.886
flat angles C4'-P-C4' energy: -17.866
flat angles P-C4'-P energy: -14.361
tors. eta vs tors. theta energy: -26.623
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: 183
Temperature: 1.150000
Total energy: -251.315341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.315341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.571086 (E_RNA)
where:
Base-Base interactions energy: -153.415
where: short stacking energy: -91.635
Base-Backbone interact. energy: -0.173
local terms energy: -98.983263
where:
bonds (distance) C4'-P energy: -18.974
bonds (distance) P-C4' energy: -22.671
flat angles C4'-P-C4' energy: -20.955
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -25.709
Dist. restrs. and SS energy: 1.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -229.367572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.367572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.626792 (E_RNA)
where:
Base-Base interactions energy: -133.564
where: short stacking energy: -73.275
Base-Backbone interact. energy: -0.206
local terms energy: -95.856966
where:
bonds (distance) C4'-P energy: -18.816
bonds (distance) P-C4' energy: -20.921
flat angles C4'-P-C4' energy: -21.260
flat angles P-C4'-P energy: -17.085
tors. eta vs tors. theta energy: -17.775
Dist. restrs. and SS energy: 0.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -230.145690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.145690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.217315 (E_RNA)
where:
Base-Base interactions energy: -141.704
where: short stacking energy: -75.607
Base-Backbone interact. energy: -0.077
local terms energy: -88.436130
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -16.359
flat angles C4'-P-C4' energy: -23.899
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: -20.100
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: 183
Temperature: 1.300000
Total energy: -203.712815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.712815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.564789 (E_RNA)
where:
Base-Base interactions energy: -125.249
where: short stacking energy: -58.620
Base-Backbone interact. energy: -0.162
local terms energy: -79.153057
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -18.281
flat angles C4'-P-C4' energy: -19.671
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -13.902
Dist. restrs. and SS energy: 0.852 (S_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: 183
Temperature: 1.350000
Total energy: -214.517564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.517564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.633825 (E_RNA)
where:
Base-Base interactions energy: -129.875
where: short stacking energy: -64.025
Base-Backbone interact. energy: 0.021
local terms energy: -84.780022
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -21.155
flat angles C4'-P-C4' energy: -22.073
flat angles P-C4'-P energy: -14.860
tors. eta vs tors. theta energy: -13.269
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: 3
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -301.546314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.546314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.778764 (E_RNA)
where:
Base-Base interactions energy: -180.491
where: short stacking energy: -101.954
Base-Backbone interact. energy: -0.070
local terms energy: -122.217579
where:
bonds (distance) C4'-P energy: -22.825
bonds (distance) P-C4' energy: -25.618
flat angles C4'-P-C4' energy: -25.386
flat angles P-C4'-P energy: -18.188
tors. eta vs tors. theta energy: -30.201
Dist. restrs. and SS energy: 1.232 (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: 7
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -314.339326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.339326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.233353 (E_RNA)
where:
Base-Base interactions energy: -194.134
where: short stacking energy: -103.138
Base-Backbone interact. energy: -0.011
local terms energy: -122.087799
where:
bonds (distance) C4'-P energy: -23.117
bonds (distance) P-C4' energy: -20.729
flat angles C4'-P-C4' energy: -24.678
flat angles P-C4'-P energy: -18.683
tors. eta vs tors. theta energy: -34.881
Dist. restrs. and SS energy: 1.894 (S_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: 184
Temperature: 1.000000
Total energy: -277.650418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.650418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.745675 (E_RNA)
where:
Base-Base interactions energy: -169.084
where: short stacking energy: -96.726
Base-Backbone interact. energy: -0.231
local terms energy: -108.430619
where:
bonds (distance) C4'-P energy: -21.011
bonds (distance) P-C4' energy: -23.320
flat angles C4'-P-C4' energy: -24.441
flat angles P-C4'-P energy: -16.815
tors. eta vs tors. theta energy: -22.843
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -244.832247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.832247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.083313 (E_RNA)
where:
Base-Base interactions energy: -142.931
where: short stacking energy: -78.896
Base-Backbone interact. energy: -0.201
local terms energy: -101.951284
where:
bonds (distance) C4'-P energy: -21.317
bonds (distance) P-C4' energy: -21.004
flat angles C4'-P-C4' energy: -24.085
flat angles P-C4'-P energy: -15.498
tors. eta vs tors. theta energy: -20.047
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: 5, replica: 1
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -259.182915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.182915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.003714 (E_RNA)
where:
Base-Base interactions energy: -161.398
where: short stacking energy: -86.622
Base-Backbone interact. energy: -0.130
local terms energy: -98.475876
where:
bonds (distance) C4'-P energy: -22.806
bonds (distance) P-C4' energy: -20.207
flat angles C4'-P-C4' energy: -20.451
flat angles P-C4'-P energy: -12.680
tors. eta vs tors. theta energy: -22.332
Dist. restrs. and SS energy: 0.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -231.640157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.640157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.777420 (E_RNA)
where:
Base-Base interactions energy: -134.024
where: short stacking energy: -71.388
Base-Backbone interact. energy: -0.327
local terms energy: -98.425872
where:
bonds (distance) C4'-P energy: -19.639
bonds (distance) P-C4' energy: -22.266
flat angles C4'-P-C4' energy: -21.182
flat angles P-C4'-P energy: -15.163
tors. eta vs tors. theta energy: -20.176
Dist. restrs. and SS energy: 1.137 (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: 2
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -230.063756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.063756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.193330 (E_RNA)
where:
Base-Base interactions energy: -134.638
where: short stacking energy: -66.148
Base-Backbone interact. energy: -0.093
local terms energy: -95.462207
where:
bonds (distance) C4'-P energy: -19.185
bonds (distance) P-C4' energy: -24.199
flat angles C4'-P-C4' energy: -23.494
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: -16.388
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: 8
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -242.155679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.155679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.453369 (E_RNA)
where:
Base-Base interactions energy: -148.317
where: short stacking energy: -79.462
Base-Backbone interact. energy: -0.262
local terms energy: -93.874784
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -19.604
flat angles C4'-P-C4' energy: -22.438
flat angles P-C4'-P energy: -14.529
tors. eta vs tors. theta energy: -23.086
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: 9, replica: 10
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -204.316361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.316361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.398905 (E_RNA)
where:
Base-Base interactions energy: -126.490
where: short stacking energy: -68.474
Base-Backbone interact. energy: -0.097
local terms energy: -77.812179
where:
bonds (distance) C4'-P energy: -11.745
bonds (distance) P-C4' energy: -16.834
flat angles C4'-P-C4' energy: -22.132
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -17.513
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: 5
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -191.439944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.439944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.470073 (E_RNA)
where:
Base-Base interactions energy: -118.095
where: short stacking energy: -58.677
Base-Backbone interact. energy: 0.716
local terms energy: -74.090747
where:
bonds (distance) C4'-P energy: -9.480
bonds (distance) P-C4' energy: -22.481
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -14.207
tors. eta vs tors. theta energy: -10.744
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: 1, replica: 3
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -306.968239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.968239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.024590 (E_RNA)
where:
Base-Base interactions energy: -186.472
where: short stacking energy: -112.143
Base-Backbone interact. energy: -0.043
local terms energy: -121.508739
where:
bonds (distance) C4'-P energy: -21.655
bonds (distance) P-C4' energy: -23.032
flat angles C4'-P-C4' energy: -25.174
flat angles P-C4'-P energy: -17.555
tors. eta vs tors. theta energy: -34.092
Dist. restrs. and SS energy: 1.056 (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: 7
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -316.166022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.166022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.188324 (E_RNA)
where:
Base-Base interactions energy: -191.266
where: short stacking energy: -123.652
Base-Backbone interact. energy: -0.097
local terms energy: -124.825557
where:
bonds (distance) C4'-P energy: -21.528
bonds (distance) P-C4' energy: -22.690
flat angles C4'-P-C4' energy: -25.152
flat angles P-C4'-P energy: -17.219
tors. eta vs tors. theta energy: -38.237
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -289.258514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.258514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.463993 (E_RNA)
where:
Base-Base interactions energy: -174.814
where: short stacking energy: -103.099
Base-Backbone interact. energy: -0.246
local terms energy: -114.403835
where:
bonds (distance) C4'-P energy: -18.283
bonds (distance) P-C4' energy: -22.400
flat angles C4'-P-C4' energy: -24.831
flat angles P-C4'-P energy: -16.748
tors. eta vs tors. theta energy: -32.142
Dist. restrs. and SS energy: 0.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -254.979524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.979524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.399547 (E_RNA)
where:
Base-Base interactions energy: -151.997
where: short stacking energy: -88.067
Base-Backbone interact. energy: -0.019
local terms energy: -103.383837
where:
bonds (distance) C4'-P energy: -23.821
bonds (distance) P-C4' energy: -20.137
flat angles C4'-P-C4' energy: -25.143
flat angles P-C4'-P energy: -10.844
tors. eta vs tors. theta energy: -23.439
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: 5, replica: 6
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -257.498865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.498865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.528663 (E_RNA)
where:
Base-Base interactions energy: -160.402
where: short stacking energy: -89.704
Base-Backbone interact. energy: -0.063
local terms energy: -97.064329
where:
bonds (distance) C4'-P energy: -23.643
bonds (distance) P-C4' energy: -12.335
flat angles C4'-P-C4' energy: -22.947
flat angles P-C4'-P energy: -15.255
tors. eta vs tors. theta energy: -22.883
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: 2
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -230.390074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.390074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.450005 (E_RNA)
where:
Base-Base interactions energy: -129.449
where: short stacking energy: -67.961
Base-Backbone interact. energy: -1.205
local terms energy: -99.795854
where:
bonds (distance) C4'-P energy: -20.096
bonds (distance) P-C4' energy: -19.918
flat angles C4'-P-C4' energy: -22.056
flat angles P-C4'-P energy: -15.619
tors. eta vs tors. theta energy: -22.107
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: 9
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -208.619976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.619976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.738902 (E_RNA)
where:
Base-Base interactions energy: -128.858
where: short stacking energy: -63.103
Base-Backbone interact. energy: -0.169
local terms energy: -79.711734
where:
bonds (distance) C4'-P energy: -17.409
bonds (distance) P-C4' energy: -22.948
flat angles C4'-P-C4' energy: -17.065
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -12.200
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: 8
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -216.082785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.082785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.082785 (E_RNA)
where:
Base-Base interactions energy: -128.317
where: short stacking energy: -52.978
Base-Backbone interact. energy: -0.225
local terms energy: -87.541676
where:
bonds (distance) C4'-P energy: -23.775
bonds (distance) P-C4' energy: -19.656
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -13.721
tors. eta vs tors. theta energy: -13.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -214.394792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.394792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.103139 (E_RNA)
where:
Base-Base interactions energy: -130.738
where: short stacking energy: -58.012
Base-Backbone interact. energy: -0.657
local terms energy: -83.707947
where:
bonds (distance) C4'-P energy: -19.893
bonds (distance) P-C4' energy: -20.342
flat angles C4'-P-C4' energy: -23.174
flat angles P-C4'-P energy: -8.516
tors. eta vs tors. theta energy: -11.783
Dist. restrs. and SS energy: 0.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -213.894231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.894231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.046988 (E_RNA)
where:
Base-Base interactions energy: -131.243
where: short stacking energy: -63.563
Base-Backbone interact. energy: -0.171
local terms energy: -82.632299
where:
bonds (distance) C4'-P energy: -17.534
bonds (distance) P-C4' energy: -21.561
flat angles C4'-P-C4' energy: -20.316
flat angles P-C4'-P energy: -13.215
tors. eta vs tors. theta energy: -10.006
Dist. restrs. and SS energy: 0.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -310.255705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.255705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.534795 (E_RNA)
where:
Base-Base interactions energy: -196.430
where: short stacking energy: -105.780
Base-Backbone interact. energy: -0.083
local terms energy: -115.021771
where:
bonds (distance) C4'-P energy: -22.365
bonds (distance) P-C4' energy: -22.398
flat angles C4'-P-C4' energy: -22.747
flat angles P-C4'-P energy: -16.101
tors. eta vs tors. theta energy: -31.411
Dist. restrs. and SS energy: 1.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -290.351762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.351762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.402863 (E_RNA)
where:
Base-Base interactions energy: -171.710
where: short stacking energy: -107.773
Base-Backbone interact. energy: -0.007
local terms energy: -118.685242
where:
bonds (distance) C4'-P energy: -23.945
bonds (distance) P-C4' energy: -21.643
flat angles C4'-P-C4' energy: -24.101
flat angles P-C4'-P energy: -17.719
tors. eta vs tors. theta energy: -31.276
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -278.678747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.678747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.900315 (E_RNA)
where:
Base-Base interactions energy: -169.534
where: short stacking energy: -98.787
Base-Backbone interact. energy: 2.605
local terms energy: -111.971922
where:
bonds (distance) C4'-P energy: -22.323
bonds (distance) P-C4' energy: -24.012
flat angles C4'-P-C4' energy: -20.118
flat angles P-C4'-P energy: -18.330
tors. eta vs tors. theta energy: -27.188
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: 4, replica: 4
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -263.859245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.859245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.678535 (E_RNA)
where:
Base-Base interactions energy: -159.672
where: short stacking energy: -83.435
Base-Backbone interact. energy: -0.314
local terms energy: -104.693345
where:
bonds (distance) C4'-P energy: -20.799
bonds (distance) P-C4' energy: -19.533
flat angles C4'-P-C4' energy: -21.817
flat angles P-C4'-P energy: -18.818
tors. eta vs tors. theta energy: -23.726
Dist. restrs. and SS energy: 0.819 (S_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: 186
Temperature: 1.100000
Total energy: -261.316171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.316171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.485845 (E_RNA)
where:
Base-Base interactions energy: -167.827
where: short stacking energy: -93.792
Base-Backbone interact. energy: -0.001
local terms energy: -94.657386
where:
bonds (distance) C4'-P energy: -23.341
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -20.628
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -23.103
Dist. restrs. and SS energy: 1.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -230.846715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.846715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.858223 (E_RNA)
where:
Base-Base interactions energy: -141.468
where: short stacking energy: -79.732
Base-Backbone interact. energy: -0.397
local terms energy: -88.993216
where:
bonds (distance) C4'-P energy: -18.576
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -20.542
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -19.191
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -226.527440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.527440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.599703 (E_RNA)
where:
Base-Base interactions energy: -150.466
where: short stacking energy: -76.726
Base-Backbone interact. energy: 0.023
local terms energy: -76.156701
where:
bonds (distance) C4'-P energy: -11.626
bonds (distance) P-C4' energy: -17.897
flat angles C4'-P-C4' energy: -20.587
flat angles P-C4'-P energy: -6.903
tors. eta vs tors. theta energy: -19.144
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: 8
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -228.929288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.929288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.081964 (E_RNA)
where:
Base-Base interactions energy: -145.144
where: short stacking energy: -82.116
Base-Backbone interact. energy: -0.223
local terms energy: -83.715494
where:
bonds (distance) C4'-P energy: -20.706
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -16.650
flat angles P-C4'-P energy: -16.622
tors. eta vs tors. theta energy: -12.568
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: 186
Temperature: 1.300000
Total energy: -209.575383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.575383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.673099 (E_RNA)
where:
Base-Base interactions energy: -135.640
where: short stacking energy: -68.709
Base-Backbone interact. energy: -0.757
local terms energy: -75.276248
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -22.625
flat angles P-C4'-P energy: -7.522
tors. eta vs tors. theta energy: -15.117
Dist. restrs. and SS energy: 2.098 (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: 10
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -203.808464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.808464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.991850 (E_RNA)
where:
Base-Base interactions energy: -125.875
where: short stacking energy: -65.243
Base-Backbone interact. energy: 1.578
local terms energy: -79.695033
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -18.011
flat angles C4'-P-C4' energy: -20.571
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -13.111
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: 3
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -294.307675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.307675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.590098 (E_RNA)
where:
Base-Base interactions energy: -186.798
where: short stacking energy: -95.634
Base-Backbone interact. energy: -0.227
local terms energy: -108.565275
where:
bonds (distance) C4'-P energy: -23.370
bonds (distance) P-C4' energy: -24.374
flat angles C4'-P-C4' energy: -18.865
flat angles P-C4'-P energy: -14.825
tors. eta vs tors. theta energy: -27.131
Dist. restrs. and SS energy: 1.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -298.704035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.704035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.482102 (E_RNA)
where:
Base-Base interactions energy: -183.981
where: short stacking energy: -104.500
Base-Backbone interact. energy: -0.029
local terms energy: -115.471247
where:
bonds (distance) C4'-P energy: -18.993
bonds (distance) P-C4' energy: -24.020
flat angles C4'-P-C4' energy: -26.380
flat angles P-C4'-P energy: -14.479
tors. eta vs tors. theta energy: -31.599
Dist. restrs. and SS energy: 0.778 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -294.476586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.476586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.325231 (E_RNA)
where:
Base-Base interactions energy: -187.774
where: short stacking energy: -91.376
Base-Backbone interact. energy: 0.163
local terms energy: -108.714407
where:
bonds (distance) C4'-P energy: -22.368
bonds (distance) P-C4' energy: -20.892
flat angles C4'-P-C4' energy: -19.620
flat angles P-C4'-P energy: -18.779
tors. eta vs tors. theta energy: -27.055
Dist. restrs. and SS energy: 1.849 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -286.632837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.632837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.277139 (E_RNA)
where:
Base-Base interactions energy: -178.041
where: short stacking energy: -92.584
Base-Backbone interact. energy: -0.462
local terms energy: -108.774644
where:
bonds (distance) C4'-P energy: -18.362
bonds (distance) P-C4' energy: -27.745
flat angles C4'-P-C4' energy: -22.832
flat angles P-C4'-P energy: -13.683
tors. eta vs tors. theta energy: -26.154
Dist. restrs. and SS energy: 0.644 (S_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: 187
Temperature: 1.100000
Total energy: -240.188541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.188541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.882332 (E_RNA)
where:
Base-Base interactions energy: -150.990
where: short stacking energy: -80.743
Base-Backbone interact. energy: -0.304
local terms energy: -90.588502
where:
bonds (distance) C4'-P energy: -18.730
bonds (distance) P-C4' energy: -19.086
flat angles C4'-P-C4' energy: -20.547
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: -21.261
Dist. restrs. and SS energy: 1.694 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -243.825009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.825009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.833110 (E_RNA)
where:
Base-Base interactions energy: -150.032
where: short stacking energy: -81.647
Base-Backbone interact. energy: -0.085
local terms energy: -93.715350
where:
bonds (distance) C4'-P energy: -21.456
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -23.077
flat angles P-C4'-P energy: -16.735
tors. eta vs tors. theta energy: -18.424
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -242.441919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.441919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.082754 (E_RNA)
where:
Base-Base interactions energy: -148.336
where: short stacking energy: -74.772
Base-Backbone interact. energy: -0.081
local terms energy: -94.666049
where:
bonds (distance) C4'-P energy: -21.168
bonds (distance) P-C4' energy: -21.287
flat angles C4'-P-C4' energy: -21.468
flat angles P-C4'-P energy: -12.565
tors. eta vs tors. theta energy: -18.177
Dist. restrs. and SS energy: 0.641 (S_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: 187
Temperature: 1.250000
Total energy: -212.570394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.570394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.685316 (E_RNA)
where:
Base-Base interactions energy: -129.566
where: short stacking energy: -68.294
Base-Backbone interact. energy: -0.079
local terms energy: -83.040347
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -20.159
flat angles C4'-P-C4' energy: -21.284
flat angles P-C4'-P energy: -14.839
tors. eta vs tors. theta energy: -10.569
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: 8
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -223.216295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.216295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.216295 (E_RNA)
where:
Base-Base interactions energy: -141.300
where: short stacking energy: -66.982
Base-Backbone interact. energy: -0.192
local terms energy: -81.724210
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -16.063
flat angles C4'-P-C4' energy: -19.788
flat angles P-C4'-P energy: -15.781
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: 10, replica: 10
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -210.380261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.380261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.599942 (E_RNA)
where:
Base-Base interactions energy: -118.831
where: short stacking energy: -64.205
Base-Backbone interact. energy: -0.186
local terms energy: -91.583119
where:
bonds (distance) C4'-P energy: -19.181
bonds (distance) P-C4' energy: -19.473
flat angles C4'-P-C4' energy: -21.018
flat angles P-C4'-P energy: -15.392
tors. eta vs tors. theta energy: -16.520
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: 1, replica: 7
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -296.600572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.600572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.656699 (E_RNA)
where:
Base-Base interactions energy: -180.639
where: short stacking energy: -111.314
Base-Backbone interact. energy: -0.323
local terms energy: -115.695462
where:
bonds (distance) C4'-P energy: -23.196
bonds (distance) P-C4' energy: -22.604
flat angles C4'-P-C4' energy: -24.390
flat angles P-C4'-P energy: -15.066
tors. eta vs tors. theta energy: -30.440
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -288.220904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.220904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.495968 (E_RNA)
where:
Base-Base interactions energy: -176.098
where: short stacking energy: -97.196
Base-Backbone interact. energy: -0.054
local terms energy: -113.344263
where:
bonds (distance) C4'-P energy: -23.544
bonds (distance) P-C4' energy: -21.227
flat angles C4'-P-C4' energy: -22.850
flat angles P-C4'-P energy: -17.714
tors. eta vs tors. theta energy: -28.009
Dist. restrs. and SS energy: 1.275 (S_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: 188
Temperature: 1.000000
Total energy: -292.404658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.404658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.493626 (E_RNA)
where:
Base-Base interactions energy: -181.739
where: short stacking energy: -99.420
Base-Backbone interact. energy: -0.037
local terms energy: -112.717966
where:
bonds (distance) C4'-P energy: -20.284
bonds (distance) P-C4' energy: -15.612
flat angles C4'-P-C4' energy: -26.317
flat angles P-C4'-P energy: -19.021
tors. eta vs tors. theta energy: -31.484
Dist. restrs. and SS energy: 2.089 (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: 1
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -282.429930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.429930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.559859 (E_RNA)
where:
Base-Base interactions energy: -174.369
where: short stacking energy: -96.301
Base-Backbone interact. energy: -0.053
local terms energy: -108.137769
where:
bonds (distance) C4'-P energy: -19.876
bonds (distance) P-C4' energy: -22.887
flat angles C4'-P-C4' energy: -25.917
flat angles P-C4'-P energy: -14.234
tors. eta vs tors. theta energy: -25.224
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: 9
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -230.583252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.583252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.639076 (E_RNA)
where:
Base-Base interactions energy: -142.877
where: short stacking energy: -82.916
Base-Backbone interact. energy: -0.381
local terms energy: -87.381068
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -19.368
flat angles C4'-P-C4' energy: -16.970
flat angles P-C4'-P energy: -14.370
tors. eta vs tors. theta energy: -20.800
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: 188
Temperature: 1.150000
Total energy: -229.342786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.342786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.370298 (E_RNA)
where:
Base-Base interactions energy: -140.031
where: short stacking energy: -72.165
Base-Backbone interact. energy: -1.367
local terms energy: -87.972347
where:
bonds (distance) C4'-P energy: -13.505
bonds (distance) P-C4' energy: -22.829
flat angles C4'-P-C4' energy: -21.125
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -20.130
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: 6
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -234.323750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.323750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.493039 (E_RNA)
where:
Base-Base interactions energy: -141.907
where: short stacking energy: -80.884
Base-Backbone interact. energy: -0.013
local terms energy: -92.572979
where:
bonds (distance) C4'-P energy: -20.080
bonds (distance) P-C4' energy: -22.035
flat angles C4'-P-C4' energy: -23.084
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: -14.570
Dist. restrs. and SS energy: 0.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -226.205030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.205030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.331160 (E_RNA)
where:
Base-Base interactions energy: -142.626
where: short stacking energy: -72.037
Base-Backbone interact. energy: -0.187
local terms energy: -83.518137
where:
bonds (distance) C4'-P energy: -10.074
bonds (distance) P-C4' energy: -21.918
flat angles C4'-P-C4' energy: -23.452
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -16.477
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: 10
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -210.439030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.439030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.452681 (E_RNA)
where:
Base-Base interactions energy: -132.048
where: short stacking energy: -70.203
Base-Backbone interact. energy: 1.202
local terms energy: -79.607388
where:
bonds (distance) C4'-P energy: -16.291
bonds (distance) P-C4' energy: -18.951
flat angles C4'-P-C4' energy: -16.102
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -16.892
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: 8
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -204.821931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.821931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.471514 (E_RNA)
where:
Base-Base interactions energy: -139.678
where: short stacking energy: -69.403
Base-Backbone interact. energy: -0.239
local terms energy: -65.554403
where:
bonds (distance) C4'-P energy: -9.952
bonds (distance) P-C4' energy: -12.412
flat angles C4'-P-C4' energy: -19.461
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: -16.039
Dist. restrs. and SS energy: 0.650 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -297.709608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.709608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.189335 (E_RNA)
where:
Base-Base interactions energy: -177.906
where: short stacking energy: -107.259
Base-Backbone interact. energy: -0.116
local terms energy: -120.167853
where:
bonds (distance) C4'-P energy: -21.554
bonds (distance) P-C4' energy: -24.213
flat angles C4'-P-C4' energy: -23.357
flat angles P-C4'-P energy: -21.936
tors. eta vs tors. theta energy: -29.108
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: 2, replica: 4
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -297.484850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.484850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.484850 (E_RNA)
where:
Base-Base interactions energy: -178.025
where: short stacking energy: -107.125
Base-Backbone interact. energy: -1.824
local terms energy: -117.636677
where:
bonds (distance) C4'-P energy: -20.124
bonds (distance) P-C4' energy: -23.570
flat angles C4'-P-C4' energy: -25.661
flat angles P-C4'-P energy: -16.893
tors. eta vs tors. theta energy: -31.389
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -285.889477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.889477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.253809 (E_RNA)
where:
Base-Base interactions energy: -171.039
where: short stacking energy: -97.052
Base-Backbone interact. energy: -0.115
local terms energy: -115.100363
where:
bonds (distance) C4'-P energy: -20.942
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -26.465
flat angles P-C4'-P energy: -20.583
tors. eta vs tors. theta energy: -29.349
Dist. restrs. and SS energy: 0.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -243.143873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.143873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.226069 (E_RNA)
where:
Base-Base interactions energy: -144.026
where: short stacking energy: -76.620
Base-Backbone interact. energy: -0.271
local terms energy: -98.929431
where:
bonds (distance) C4'-P energy: -19.251
bonds (distance) P-C4' energy: -20.557
flat angles C4'-P-C4' energy: -19.954
flat angles P-C4'-P energy: -16.087
tors. eta vs tors. theta energy: -23.080
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: 1
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -264.119693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.119693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.130682 (E_RNA)
where:
Base-Base interactions energy: -169.531
where: short stacking energy: -101.355
Base-Backbone interact. energy: 3.559
local terms energy: -98.159327
where:
bonds (distance) C4'-P energy: -21.701
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -15.473
tors. eta vs tors. theta energy: -29.461
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: 6
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -236.418500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.418500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.524331 (E_RNA)
where:
Base-Base interactions energy: -152.216
where: short stacking energy: -84.327
Base-Backbone interact. energy: -0.711
local terms energy: -83.597871
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -18.050
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -15.332
tors. eta vs tors. theta energy: -17.038
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: 2
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -224.218395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.218395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.574100 (E_RNA)
where:
Base-Base interactions energy: -138.358
where: short stacking energy: -75.610
Base-Backbone interact. energy: -1.556
local terms energy: -84.659795
where:
bonds (distance) C4'-P energy: -15.913
bonds (distance) P-C4' energy: -14.397
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -16.249
tors. eta vs tors. theta energy: -21.439
Dist. restrs. and SS energy: 0.356 (S_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: 189
Temperature: 1.250000
Total energy: -218.760467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.760467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.840385 (E_RNA)
where:
Base-Base interactions energy: -132.479
where: short stacking energy: -69.325
Base-Backbone interact. energy: -0.026
local terms energy: -86.335572
where:
bonds (distance) C4'-P energy: -15.620
bonds (distance) P-C4' energy: -19.490
flat angles C4'-P-C4' energy: -22.600
flat angles P-C4'-P energy: -13.193
tors. eta vs tors. theta energy: -15.433
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -212.930063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.930063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.117156 (E_RNA)
where:
Base-Base interactions energy: -122.406
where: short stacking energy: -66.634
Base-Backbone interact. energy: 0.116
local terms energy: -90.827546
where:
bonds (distance) C4'-P energy: -20.451
bonds (distance) P-C4' energy: -22.772
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -14.714
tors. eta vs tors. theta energy: -16.201
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: 10, replica: 8
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -190.793791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.793791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.374339 (E_RNA)
where:
Base-Base interactions energy: -117.731
where: short stacking energy: -49.693
Base-Backbone interact. energy: 1.128
local terms energy: -75.770484
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -18.437
flat angles C4'-P-C4' energy: -22.112
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -10.821
Dist. restrs. and SS energy: 1.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -313.248959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.248959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.543491 (E_RNA)
where:
Base-Base interactions energy: -194.257
where: short stacking energy: -116.758
Base-Backbone interact. energy: -0.081
local terms energy: -119.205639
where:
bonds (distance) C4'-P energy: -24.704
bonds (distance) P-C4' energy: -18.141
flat angles C4'-P-C4' energy: -23.583
flat angles P-C4'-P energy: -17.913
tors. eta vs tors. theta energy: -34.864
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: 2, replica: 4
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -288.371730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.371730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.565722 (E_RNA)
where:
Base-Base interactions energy: -172.167
where: short stacking energy: -103.409
Base-Backbone interact. energy: -0.022
local terms energy: -116.376857
where:
bonds (distance) C4'-P energy: -22.952
bonds (distance) P-C4' energy: -26.637
flat angles C4'-P-C4' energy: -20.470
flat angles P-C4'-P energy: -17.524
tors. eta vs tors. theta energy: -28.794
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: 3, replica: 3
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -278.696852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.696852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.279283 (E_RNA)
where:
Base-Base interactions energy: -171.781
where: short stacking energy: -91.556
Base-Backbone interact. energy: 0.190
local terms energy: -107.687827
where:
bonds (distance) C4'-P energy: -21.003
bonds (distance) P-C4' energy: -24.216
flat angles C4'-P-C4' energy: -23.537
flat angles P-C4'-P energy: -12.939
tors. eta vs tors. theta energy: -25.993
Dist. restrs. and SS energy: 0.582 (S_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: 190
Temperature: 1.050000
Total energy: -243.067575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.067575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.069204 (E_RNA)
where:
Base-Base interactions energy: -147.377
where: short stacking energy: -78.453
Base-Backbone interact. energy: -0.473
local terms energy: -95.218545
where:
bonds (distance) C4'-P energy: -19.657
bonds (distance) P-C4' energy: -22.608
flat angles C4'-P-C4' energy: -22.954
flat angles P-C4'-P energy: -13.907
tors. eta vs tors. theta energy: -16.092
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: 5, replica: 6
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -264.788984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.788984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.788984 (E_RNA)
where:
Base-Base interactions energy: -159.176
where: short stacking energy: -84.528
Base-Backbone interact. energy: -0.135
local terms energy: -105.478324
where:
bonds (distance) C4'-P energy: -19.283
bonds (distance) P-C4' energy: -23.821
flat angles C4'-P-C4' energy: -21.952
flat angles P-C4'-P energy: -14.374
tors. eta vs tors. theta energy: -26.047
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -229.492031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.492031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.544720 (E_RNA)
where:
Base-Base interactions energy: -142.406
where: short stacking energy: -74.309
Base-Backbone interact. energy: -0.206
local terms energy: -86.932595
where:
bonds (distance) C4'-P energy: -18.181
bonds (distance) P-C4' energy: -20.059
flat angles C4'-P-C4' energy: -26.126
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -12.068
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: 10
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -200.679001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.679001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.686084 (E_RNA)
where:
Base-Base interactions energy: -122.221
where: short stacking energy: -56.948
Base-Backbone interact. energy: -0.519
local terms energy: -77.946911
where:
bonds (distance) C4'-P energy: -19.359
bonds (distance) P-C4' energy: -20.091
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -13.387
tors. eta vs tors. theta energy: -8.783
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: 190
Temperature: 1.250000
Total energy: -208.011575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.011575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.102028 (E_RNA)
where:
Base-Base interactions energy: -114.183
where: short stacking energy: -59.438
Base-Backbone interact. energy: 0.412
local terms energy: -94.330605
where:
bonds (distance) C4'-P energy: -20.545
bonds (distance) P-C4' energy: -23.690
flat angles C4'-P-C4' energy: -20.399
flat angles P-C4'-P energy: -18.614
tors. eta vs tors. theta energy: -11.082
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: 8
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -211.124423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.124423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.167345 (E_RNA)
where:
Base-Base interactions energy: -128.167
where: short stacking energy: -59.559
Base-Backbone interact. energy: -0.210
local terms energy: -82.790235
where:
bonds (distance) C4'-P energy: -19.173
bonds (distance) P-C4' energy: -23.205
flat angles C4'-P-C4' energy: -21.985
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -8.775
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: 190
Temperature: 1.350000
Total energy: -187.416404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.416404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.707814 (E_RNA)
where:
Base-Base interactions energy: -118.730
where: short stacking energy: -53.787
Base-Backbone interact. energy: -0.371
local terms energy: -68.606951
where:
bonds (distance) C4'-P energy: -17.758
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -14.501
tors. eta vs tors. theta energy: -5.602
Dist. restrs. and SS energy: 0.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -303.268049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.268049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.718628 (E_RNA)
where:
Base-Base interactions energy: -188.486
where: short stacking energy: -111.477
Base-Backbone interact. energy: -0.083
local terms energy: -115.149341
where:
bonds (distance) C4'-P energy: -20.017
bonds (distance) P-C4' energy: -23.494
flat angles C4'-P-C4' energy: -25.805
flat angles P-C4'-P energy: -15.501
tors. eta vs tors. theta energy: -30.332
Dist. restrs. and SS energy: 0.451 (S_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: 191
Temperature: 0.950000
Total energy: -287.933685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.933685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.969314 (E_RNA)
where:
Base-Base interactions energy: -175.226
where: short stacking energy: -93.142
Base-Backbone interact. energy: -0.102
local terms energy: -112.641528
where:
bonds (distance) C4'-P energy: -22.385
bonds (distance) P-C4' energy: -21.669
flat angles C4'-P-C4' energy: -23.471
flat angles P-C4'-P energy: -16.595
tors. eta vs tors. theta energy: -28.521
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: 191
Temperature: 1.000000
Total energy: -280.378805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.378805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.083341 (E_RNA)
where:
Base-Base interactions energy: -170.117
where: short stacking energy: -93.045
Base-Backbone interact. energy: -0.095
local terms energy: -110.871100
where:
bonds (distance) C4'-P energy: -19.813
bonds (distance) P-C4' energy: -24.705
flat angles C4'-P-C4' energy: -23.440
flat angles P-C4'-P energy: -18.484
tors. eta vs tors. theta energy: -24.429
Dist. restrs. and SS energy: 0.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -257.002251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.002251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.721825 (E_RNA)
where:
Base-Base interactions energy: -155.969
where: short stacking energy: -81.586
Base-Backbone interact. energy: -0.039
local terms energy: -102.713680
where:
bonds (distance) C4'-P energy: -21.911
bonds (distance) P-C4' energy: -19.294
flat angles C4'-P-C4' energy: -24.725
flat angles P-C4'-P energy: -13.823
tors. eta vs tors. theta energy: -22.960
Dist. restrs. and SS energy: 1.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -241.797656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.797656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.542353 (E_RNA)
where:
Base-Base interactions energy: -152.375
where: short stacking energy: -92.868
Base-Backbone interact. energy: -0.147
local terms energy: -91.019823
where:
bonds (distance) C4'-P energy: -15.234
bonds (distance) P-C4' energy: -19.296
flat angles C4'-P-C4' energy: -20.750
flat angles P-C4'-P energy: -14.985
tors. eta vs tors. theta energy: -20.755
Dist. restrs. and SS energy: 1.745 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -253.502907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.502907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.562814 (E_RNA)
where:
Base-Base interactions energy: -157.414
where: short stacking energy: -87.501
Base-Backbone interact. energy: -0.098
local terms energy: -96.051045
where:
bonds (distance) C4'-P energy: -22.372
bonds (distance) P-C4' energy: -20.155
flat angles C4'-P-C4' energy: -18.938
flat angles P-C4'-P energy: -13.567
tors. eta vs tors. theta energy: -21.019
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: 10
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -229.231867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.231867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.231867 (E_RNA)
where:
Base-Base interactions energy: -141.716
where: short stacking energy: -71.244
Base-Backbone interact. energy: -0.059
local terms energy: -87.457649
where:
bonds (distance) C4'-P energy: -18.277
bonds (distance) P-C4' energy: -22.306
flat angles C4'-P-C4' energy: -18.363
flat angles P-C4'-P energy: -14.864
tors. eta vs tors. theta energy: -13.648
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -221.896991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.896991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.609009 (E_RNA)
where:
Base-Base interactions energy: -139.760
where: short stacking energy: -68.180
Base-Backbone interact. energy: -0.175
local terms energy: -82.674143
where:
bonds (distance) C4'-P energy: -20.659
bonds (distance) P-C4' energy: -19.915
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -15.623
Dist. restrs. and SS energy: 0.712 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -217.212277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.212277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.212277 (E_RNA)
where:
Base-Base interactions energy: -139.026
where: short stacking energy: -70.086
Base-Backbone interact. energy: -1.553
local terms energy: -76.633559
where:
bonds (distance) C4'-P energy: -19.115
bonds (distance) P-C4' energy: -11.189
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -17.251
tors. eta vs tors. theta energy: -15.337
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: 10, replica: 5
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -184.957990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.957990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.983609 (E_RNA)
where:
Base-Base interactions energy: -120.847
where: short stacking energy: -64.804
Base-Backbone interact. energy: -0.180
local terms energy: -63.956945
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -13.552
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -4.419
tors. eta vs tors. theta energy: -14.400
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: 4
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -286.059117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.059117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.312433 (E_RNA)
where:
Base-Base interactions energy: -178.792
where: short stacking energy: -97.864
Base-Backbone interact. energy: -0.118
local terms energy: -107.402392
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -24.631
flat angles C4'-P-C4' energy: -24.717
flat angles P-C4'-P energy: -15.477
tors. eta vs tors. theta energy: -26.352
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: 2, replica: 7
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -275.366904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.366904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.366904 (E_RNA)
where:
Base-Base interactions energy: -169.049
where: short stacking energy: -91.261
Base-Backbone interact. energy: -0.106
local terms energy: -106.211588
where:
bonds (distance) C4'-P energy: -22.199
bonds (distance) P-C4' energy: -19.311
flat angles C4'-P-C4' energy: -24.437
flat angles P-C4'-P energy: -15.663
tors. eta vs tors. theta energy: -24.601
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -274.846195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.846195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.852822 (E_RNA)
where:
Base-Base interactions energy: -172.270
where: short stacking energy: -100.965
Base-Backbone interact. energy: -0.005
local terms energy: -102.577298
where:
bonds (distance) C4'-P energy: -21.328
bonds (distance) P-C4' energy: -20.371
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -12.940
tors. eta vs tors. theta energy: -32.486
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: 6
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -249.637666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.637666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.659329 (E_RNA)
where:
Base-Base interactions energy: -149.117
where: short stacking energy: -81.261
Base-Backbone interact. energy: -0.048
local terms energy: -100.493825
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -25.317
flat angles C4'-P-C4' energy: -20.574
flat angles P-C4'-P energy: -19.688
tors. eta vs tors. theta energy: -19.626
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: 192
Temperature: 1.100000
Total energy: -256.937125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.937125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.049765 (E_RNA)
where:
Base-Base interactions energy: -154.668
where: short stacking energy: -92.931
Base-Backbone interact. energy: -0.696
local terms energy: -101.684848
where:
bonds (distance) C4'-P energy: -19.398
bonds (distance) P-C4' energy: -18.838
flat angles C4'-P-C4' energy: -25.027
flat angles P-C4'-P energy: -12.161
tors. eta vs tors. theta energy: -26.261
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -228.675540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.675540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.026060 (E_RNA)
where:
Base-Base interactions energy: -141.337
where: short stacking energy: -77.002
Base-Backbone interact. energy: -0.356
local terms energy: -87.333328
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -18.542
flat angles P-C4'-P energy: -17.109
tors. eta vs tors. theta energy: -18.738
Dist. restrs. and SS energy: 0.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -221.058432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.058432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.058432 (E_RNA)
where:
Base-Base interactions energy: -131.233
where: short stacking energy: -73.735
Base-Backbone interact. energy: -0.503
local terms energy: -89.322167
where:
bonds (distance) C4'-P energy: -20.266
bonds (distance) P-C4' energy: -18.595
flat angles C4'-P-C4' energy: -24.883
flat angles P-C4'-P energy: -13.936
tors. eta vs tors. theta energy: -11.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -208.748844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.748844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.152735 (E_RNA)
where:
Base-Base interactions energy: -136.003
where: short stacking energy: -68.401
Base-Backbone interact. energy: -0.593
local terms energy: -72.556366
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -25.386
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -2.700
tors. eta vs tors. theta energy: -13.666
Dist. restrs. and SS energy: 0.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -198.396129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.396129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.497524 (E_RNA)
where:
Base-Base interactions energy: -116.007
where: short stacking energy: -54.814
Base-Backbone interact. energy: -1.388
local terms energy: -81.103104
where:
bonds (distance) C4'-P energy: -17.367
bonds (distance) P-C4' energy: -20.601
flat angles C4'-P-C4' energy: -20.547
flat angles P-C4'-P energy: -13.658
tors. eta vs tors. theta energy: -8.930
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: 192
Temperature: 1.350000
Total energy: -198.162656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.162656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.206914 (E_RNA)
where:
Base-Base interactions energy: -114.707
where: short stacking energy: -53.309
Base-Backbone interact. energy: -0.424
local terms energy: -83.075863
where:
bonds (distance) C4'-P energy: -23.328
bonds (distance) P-C4' energy: -24.806
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -8.904
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: 4
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -286.913950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.913950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.479459 (E_RNA)
where:
Base-Base interactions energy: -182.913
where: short stacking energy: -101.700
Base-Backbone interact. energy: -0.233
local terms energy: -104.333409
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -20.056
flat angles C4'-P-C4' energy: -24.059
flat angles P-C4'-P energy: -17.282
tors. eta vs tors. theta energy: -28.413
Dist. restrs. and SS energy: 0.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -283.507754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.507754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.530583 (E_RNA)
where:
Base-Base interactions energy: -171.904
where: short stacking energy: -99.452
Base-Backbone interact. energy: -0.163
local terms energy: -111.463017
where:
bonds (distance) C4'-P energy: -23.790
bonds (distance) P-C4' energy: -20.912
flat angles C4'-P-C4' energy: -24.620
flat angles P-C4'-P energy: -16.408
tors. eta vs tors. theta energy: -25.733
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: 193
Temperature: 1.000000
Total energy: -295.379289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.379289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.383623 (E_RNA)
where:
Base-Base interactions energy: -177.867
where: short stacking energy: -104.561
Base-Backbone interact. energy: -0.526
local terms energy: -116.990888
where:
bonds (distance) C4'-P energy: -24.873
bonds (distance) P-C4' energy: -25.054
flat angles C4'-P-C4' energy: -22.780
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -31.657
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: 6
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -277.218745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.218745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.266866 (E_RNA)
where:
Base-Base interactions energy: -173.390
where: short stacking energy: -94.657
Base-Backbone interact. energy: -0.446
local terms energy: -105.431157
where:
bonds (distance) C4'-P energy: -17.918
bonds (distance) P-C4' energy: -21.196
flat angles C4'-P-C4' energy: -24.334
flat angles P-C4'-P energy: -15.746
tors. eta vs tors. theta energy: -26.238
Dist. restrs. and SS energy: 2.048 (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: 9
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -244.365120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.365120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.440014 (E_RNA)
where:
Base-Base interactions energy: -151.463
where: short stacking energy: -82.732
Base-Backbone interact. energy: -0.431
local terms energy: -92.545988
where:
bonds (distance) C4'-P energy: -19.660
bonds (distance) P-C4' energy: -22.001
flat angles C4'-P-C4' energy: -21.363
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -18.812
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -228.535527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.535527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.368590 (E_RNA)
where:
Base-Base interactions energy: -142.661
where: short stacking energy: -70.116
Base-Backbone interact. energy: 0.060
local terms energy: -86.767355
where:
bonds (distance) C4'-P energy: -16.220
bonds (distance) P-C4' energy: -20.966
flat angles C4'-P-C4' energy: -20.628
flat angles P-C4'-P energy: -15.255
tors. eta vs tors. theta energy: -13.698
Dist. restrs. and SS energy: 0.833 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -220.064751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.064751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.218102 (E_RNA)
where:
Base-Base interactions energy: -130.765
where: short stacking energy: -67.849
Base-Backbone interact. energy: -0.372
local terms energy: -89.081494
where:
bonds (distance) C4'-P energy: -17.011
bonds (distance) P-C4' energy: -19.831
flat angles C4'-P-C4' energy: -20.314
flat angles P-C4'-P energy: -17.153
tors. eta vs tors. theta energy: -14.773
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: 8, replica: 10
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -216.820360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.820360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.593837 (E_RNA)
where:
Base-Base interactions energy: -125.381
where: short stacking energy: -55.892
Base-Backbone interact. energy: -0.303
local terms energy: -92.909696
where:
bonds (distance) C4'-P energy: -21.103
bonds (distance) P-C4' energy: -18.709
flat angles C4'-P-C4' energy: -21.372
flat angles P-C4'-P energy: -17.152
tors. eta vs tors. theta energy: -14.574
Dist. restrs. and SS energy: 1.773 (S_DIST_RNA)
chem. 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: -213.040309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.040309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.096122 (E_RNA)
where:
Base-Base interactions energy: -118.411
where: short stacking energy: -57.450
Base-Backbone interact. energy: -0.519
local terms energy: -94.165549
where:
bonds (distance) C4'-P energy: -21.648
bonds (distance) P-C4' energy: -23.165
flat angles C4'-P-C4' energy: -19.884
flat angles P-C4'-P energy: -14.113
tors. eta vs tors. theta energy: -15.356
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -196.164496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.164496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.454901 (E_RNA)
where:
Base-Base interactions energy: -110.862
where: short stacking energy: -56.429
Base-Backbone interact. energy: -0.122
local terms energy: -85.471694
where:
bonds (distance) C4'-P energy: -20.666
bonds (distance) P-C4' energy: -20.710
flat angles C4'-P-C4' energy: -20.961
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -11.858
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: 1, replica: 4
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -311.158540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.158540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.158540 (E_RNA)
where:
Base-Base interactions energy: -197.477
where: short stacking energy: -112.531
Base-Backbone interact. energy: -1.708
local terms energy: -111.973290
where:
bonds (distance) C4'-P energy: -20.584
bonds (distance) P-C4' energy: -19.402
flat angles C4'-P-C4' energy: -24.036
flat angles P-C4'-P energy: -14.975
tors. eta vs tors. theta energy: -32.977
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -290.963347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.963347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.969933 (E_RNA)
where:
Base-Base interactions energy: -178.308
where: short stacking energy: -105.161
Base-Backbone interact. energy: -0.057
local terms energy: -112.604214
where:
bonds (distance) C4'-P energy: -24.232
bonds (distance) P-C4' energy: -22.488
flat angles C4'-P-C4' energy: -21.669
flat angles P-C4'-P energy: -16.108
tors. eta vs tors. theta energy: -28.107
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -278.870772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.870772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.870772 (E_RNA)
where:
Base-Base interactions energy: -159.990
where: short stacking energy: -88.289
Base-Backbone interact. energy: -1.370
local terms energy: -117.510379
where:
bonds (distance) C4'-P energy: -24.986
bonds (distance) P-C4' energy: -20.596
flat angles C4'-P-C4' energy: -25.308
flat angles P-C4'-P energy: -16.768
tors. eta vs tors. theta energy: -29.853
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -250.532502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.532502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.340332 (E_RNA)
where:
Base-Base interactions energy: -157.709
where: short stacking energy: -81.393
Base-Backbone interact. energy: -0.139
local terms energy: -94.492141
where:
bonds (distance) C4'-P energy: -24.580
bonds (distance) P-C4' energy: -24.399
flat angles C4'-P-C4' energy: -20.374
flat angles P-C4'-P energy: -10.853
tors. eta vs tors. theta energy: -14.286
Dist. restrs. and SS energy: 1.808 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -260.679527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.679527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.412631 (E_RNA)
where:
Base-Base interactions energy: -165.151
where: short stacking energy: -77.699
Base-Backbone interact. energy: -0.127
local terms energy: -96.134980
where:
bonds (distance) C4'-P energy: -23.428
bonds (distance) P-C4' energy: -18.260
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -14.801
tors. eta vs tors. theta energy: -24.458
Dist. restrs. and SS energy: 0.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -230.713939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.713939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.745937 (E_RNA)
where:
Base-Base interactions energy: -138.256
where: short stacking energy: -66.284
Base-Backbone interact. energy: -0.312
local terms energy: -92.178241
where:
bonds (distance) C4'-P energy: -18.987
bonds (distance) P-C4' energy: -20.822
flat angles C4'-P-C4' energy: -20.703
flat angles P-C4'-P energy: -15.050
tors. eta vs tors. theta energy: -16.617
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: 10
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -217.137700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.137700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.190414 (E_RNA)
where:
Base-Base interactions energy: -128.012
where: short stacking energy: -63.518
Base-Backbone interact. energy: -0.323
local terms energy: -88.855787
where:
bonds (distance) C4'-P energy: -21.959
bonds (distance) P-C4' energy: -19.030
flat angles C4'-P-C4' energy: -22.421
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -15.121
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: 8
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -220.844519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.844519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.231795 (E_RNA)
where:
Base-Base interactions energy: -145.238
where: short stacking energy: -74.175
Base-Backbone interact. energy: -0.319
local terms energy: -76.674017
where:
bonds (distance) C4'-P energy: -15.053
bonds (distance) P-C4' energy: -18.983
flat angles C4'-P-C4' energy: -19.221
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -12.419
Dist. restrs. and SS energy: 1.387 (S_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: 194
Temperature: 1.300000
Total energy: -215.803693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.803693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.962594 (E_RNA)
where:
Base-Base interactions energy: -136.790
where: short stacking energy: -71.344
Base-Backbone interact. energy: 0.135
local terms energy: -79.307438
where:
bonds (distance) C4'-P energy: -19.399
bonds (distance) P-C4' energy: -15.972
flat angles C4'-P-C4' energy: -18.929
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -14.484
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: 10, replica: 5
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -195.368495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.368495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.566089 (E_RNA)
where:
Base-Base interactions energy: -117.032
where: short stacking energy: -57.680
Base-Backbone interact. energy: -0.150
local terms energy: -78.384059
where:
bonds (distance) C4'-P energy: -18.408
bonds (distance) P-C4' energy: -26.339
flat angles C4'-P-C4' energy: -17.527
flat angles P-C4'-P energy: -5.573
tors. eta vs tors. theta energy: -10.537
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: 1, replica: 4
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -304.388497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.388497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.412132 (E_RNA)
where:
Base-Base interactions energy: -187.140
where: short stacking energy: -111.202
Base-Backbone interact. energy: -0.088
local terms energy: -117.183676
where:
bonds (distance) C4'-P energy: -23.858
bonds (distance) P-C4' energy: -20.600
flat angles C4'-P-C4' energy: -24.506
flat angles P-C4'-P energy: -17.889
tors. eta vs tors. theta energy: -30.330
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: 195
Temperature: 0.950000
Total energy: -285.253194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.253194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.253194 (E_RNA)
where:
Base-Base interactions energy: -175.129
where: short stacking energy: -103.824
Base-Backbone interact. energy: -0.015
local terms energy: -110.109074
where:
bonds (distance) C4'-P energy: -21.905
bonds (distance) P-C4' energy: -21.672
flat angles C4'-P-C4' energy: -23.671
flat angles P-C4'-P energy: -15.646
tors. eta vs tors. theta energy: -27.216
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -265.135431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.135431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.147580 (E_RNA)
where:
Base-Base interactions energy: -168.290
where: short stacking energy: -100.276
Base-Backbone interact. energy: -0.247
local terms energy: -96.610566
where:
bonds (distance) C4'-P energy: -17.710
bonds (distance) P-C4' energy: -22.401
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -14.957
tors. eta vs tors. theta energy: -25.484
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: 195
Temperature: 1.050000
Total energy: -255.818715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.818715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.446752 (E_RNA)
where:
Base-Base interactions energy: -153.738
where: short stacking energy: -76.866
Base-Backbone interact. energy: -0.686
local terms energy: -103.022292
where:
bonds (distance) C4'-P energy: -21.335
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -22.865
flat angles P-C4'-P energy: -20.037
tors. eta vs tors. theta energy: -20.890
Dist. restrs. and SS energy: 1.628 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -245.150912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.150912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.889563 (E_RNA)
where:
Base-Base interactions energy: -152.648
where: short stacking energy: -71.404
Base-Backbone interact. energy: -0.132
local terms energy: -94.109211
where:
bonds (distance) C4'-P energy: -19.234
bonds (distance) P-C4' energy: -20.318
flat angles C4'-P-C4' energy: -18.074
flat angles P-C4'-P energy: -15.837
tors. eta vs tors. theta energy: -20.647
Dist. restrs. and SS energy: 1.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -238.409296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.409296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.678865 (E_RNA)
where:
Base-Base interactions energy: -142.560
where: short stacking energy: -65.130
Base-Backbone interact. energy: 0.882
local terms energy: -97.001217
where:
bonds (distance) C4'-P energy: -22.066
bonds (distance) P-C4' energy: -23.555
flat angles C4'-P-C4' energy: -19.764
flat angles P-C4'-P energy: -19.086
tors. eta vs tors. theta energy: -12.530
Dist. restrs. and SS energy: 0.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -236.173317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.173317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.173317 (E_RNA)
where:
Base-Base interactions energy: -139.626
where: short stacking energy: -75.409
Base-Backbone interact. energy: 0.311
local terms energy: -96.858560
where:
bonds (distance) C4'-P energy: -19.408
bonds (distance) P-C4' energy: -22.181
flat angles C4'-P-C4' energy: -21.991
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -22.199
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -211.398500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.398500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.400072 (E_RNA)
where:
Base-Base interactions energy: -128.797
where: short stacking energy: -63.141
Base-Backbone interact. energy: -0.170
local terms energy: -82.433043
where:
bonds (distance) C4'-P energy: -8.059
bonds (distance) P-C4' energy: -26.386
flat angles C4'-P-C4' energy: -23.197
flat angles P-C4'-P energy: -16.558
tors. eta vs tors. theta energy: -8.233
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: 8
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -201.207285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.207285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.325775 (E_RNA)
where:
Base-Base interactions energy: -120.328
where: short stacking energy: -58.618
Base-Backbone interact. energy: 0.236
local terms energy: -81.233420
where:
bonds (distance) C4'-P energy: -17.664
bonds (distance) P-C4' energy: -21.893
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -15.041
tors. eta vs tors. theta energy: -11.494
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: 5
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -221.176815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.176815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.229106 (E_RNA)
where:
Base-Base interactions energy: -130.638
where: short stacking energy: -63.982
Base-Backbone interact. energy: 4.050
local terms energy: -94.640734
where:
bonds (distance) C4'-P energy: -19.208
bonds (distance) P-C4' energy: -21.800
flat angles C4'-P-C4' energy: -20.890
flat angles P-C4'-P energy: -18.180
tors. eta vs tors. theta energy: -14.562
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: 4
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -297.221114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.221114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.226749 (E_RNA)
where:
Base-Base interactions energy: -183.277
where: short stacking energy: -109.738
Base-Backbone interact. energy: -0.015
local terms energy: -113.934164
where:
bonds (distance) C4'-P energy: -17.842
bonds (distance) P-C4' energy: -23.645
flat angles C4'-P-C4' energy: -24.410
flat angles P-C4'-P energy: -16.972
tors. eta vs tors. theta energy: -31.066
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: 196
Temperature: 0.950000
Total energy: -304.259819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.259819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.338174 (E_RNA)
where:
Base-Base interactions energy: -186.788
where: short stacking energy: -116.954
Base-Backbone interact. energy: -0.002
local terms energy: -117.548211
where:
bonds (distance) C4'-P energy: -23.018
bonds (distance) P-C4' energy: -21.962
flat angles C4'-P-C4' energy: -24.845
flat angles P-C4'-P energy: -15.732
tors. eta vs tors. theta energy: -31.992
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -267.394619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.394619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.406913 (E_RNA)
where:
Base-Base interactions energy: -166.584
where: short stacking energy: -97.649
Base-Backbone interact. energy: -0.639
local terms energy: -100.184270
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -24.596
flat angles P-C4'-P energy: -20.409
tors. eta vs tors. theta energy: -22.548
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: 196
Temperature: 1.050000
Total energy: -261.761102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.761102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.594022 (E_RNA)
where:
Base-Base interactions energy: -161.771
where: short stacking energy: -86.947
Base-Backbone interact. energy: 0.018
local terms energy: -102.840452
where:
bonds (distance) C4'-P energy: -16.601
bonds (distance) P-C4' energy: -22.633
flat angles C4'-P-C4' energy: -26.639
flat angles P-C4'-P energy: -14.957
tors. eta vs tors. theta energy: -22.011
Dist. restrs. and SS energy: 2.833 (S_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: 196
Temperature: 1.100000
Total energy: -230.808605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.808605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.884365 (E_RNA)
where:
Base-Base interactions energy: -131.202
where: short stacking energy: -69.074
Base-Backbone interact. energy: -0.095
local terms energy: -99.587313
where:
bonds (distance) C4'-P energy: -19.430
bonds (distance) P-C4' energy: -22.567
flat angles C4'-P-C4' energy: -23.998
flat angles P-C4'-P energy: -15.811
tors. eta vs tors. theta energy: -17.781
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: 9
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -256.059705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.059705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.605273 (E_RNA)
where:
Base-Base interactions energy: -165.066
where: short stacking energy: -79.655
Base-Backbone interact. energy: 2.235
local terms energy: -94.774640
where:
bonds (distance) C4'-P energy: -16.341
bonds (distance) P-C4' energy: -18.090
flat angles C4'-P-C4' energy: -24.241
flat angles P-C4'-P energy: -15.226
tors. eta vs tors. theta energy: -20.877
Dist. restrs. and SS energy: 1.546 (S_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: 196
Temperature: 1.200000
Total energy: -223.404518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.404518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.663880 (E_RNA)
where:
Base-Base interactions energy: -145.315
where: short stacking energy: -68.387
Base-Backbone interact. energy: -0.060
local terms energy: -79.288738
where:
bonds (distance) C4'-P energy: -9.579
bonds (distance) P-C4' energy: -21.183
flat angles C4'-P-C4' energy: -20.997
flat angles P-C4'-P energy: -12.624
tors. eta vs tors. theta energy: -14.906
Dist. restrs. and SS energy: 1.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -213.154494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.154494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.154494 (E_RNA)
where:
Base-Base interactions energy: -136.227
where: short stacking energy: -57.700
Base-Backbone interact. energy: 0.932
local terms energy: -77.859398
where:
bonds (distance) C4'-P energy: -18.535
bonds (distance) P-C4' energy: -22.513
flat angles C4'-P-C4' energy: -16.982
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -9.943
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -209.539116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.539116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.654798 (E_RNA)
where:
Base-Base interactions energy: -116.759
where: short stacking energy: -49.649
Base-Backbone interact. energy: -0.779
local terms energy: -92.116512
where:
bonds (distance) C4'-P energy: -24.184
bonds (distance) P-C4' energy: -22.605
flat angles C4'-P-C4' energy: -19.998
flat angles P-C4'-P energy: -14.009
tors. eta vs tors. theta energy: -11.322
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: 8
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -198.816139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.816139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.986556 (E_RNA)
where:
Base-Base interactions energy: -120.124
where: short stacking energy: -54.757
Base-Backbone interact. energy: -0.265
local terms energy: -80.597722
where:
bonds (distance) C4'-P energy: -16.799
bonds (distance) P-C4' energy: -19.148
flat angles C4'-P-C4' energy: -22.530
flat angles P-C4'-P energy: -13.722
tors. eta vs tors. theta energy: -8.399
Dist. restrs. and SS energy: 2.170 (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: 4
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -305.299921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.299921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.334028 (E_RNA)
where:
Base-Base interactions energy: -191.607
where: short stacking energy: -101.095
Base-Backbone interact. energy: -0.018
local terms energy: -113.709953
where:
bonds (distance) C4'-P energy: -17.056
bonds (distance) P-C4' energy: -24.134
flat angles C4'-P-C4' energy: -27.147
flat angles P-C4'-P energy: -19.690
tors. eta vs tors. theta energy: -25.683
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: 197
Temperature: 0.950000
Total energy: -286.927011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.927011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.986682 (E_RNA)
where:
Base-Base interactions energy: -173.588
where: short stacking energy: -100.975
Base-Backbone interact. energy: -0.402
local terms energy: -112.996282
where:
bonds (distance) C4'-P energy: -18.006
bonds (distance) P-C4' energy: -21.633
flat angles C4'-P-C4' energy: -26.634
flat angles P-C4'-P energy: -16.774
tors. eta vs tors. theta energy: -29.949
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: 7
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -273.098825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.098825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.309879 (E_RNA)
where:
Base-Base interactions energy: -164.858
where: short stacking energy: -90.406
Base-Backbone interact. energy: -0.013
local terms energy: -108.438293
where:
bonds (distance) C4'-P energy: -21.408
bonds (distance) P-C4' energy: -23.668
flat angles C4'-P-C4' energy: -21.103
flat angles P-C4'-P energy: -16.593
tors. eta vs tors. theta energy: -25.667
Dist. restrs. and SS energy: 0.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -267.883335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.883335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.251934 (E_RNA)
where:
Base-Base interactions energy: -165.102
where: short stacking energy: -92.874
Base-Backbone interact. energy: -0.078
local terms energy: -104.071313
where:
bonds (distance) C4'-P energy: -22.683
bonds (distance) P-C4' energy: -17.916
flat angles C4'-P-C4' energy: -22.298
flat angles P-C4'-P energy: -15.389
tors. eta vs tors. theta energy: -25.785
Dist. restrs. and SS energy: 1.369 (S_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: -256.449526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.449526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.579888 (E_RNA)
where:
Base-Base interactions energy: -162.585
where: short stacking energy: -90.144
Base-Backbone interact. energy: -0.406
local terms energy: -93.588687
where:
bonds (distance) C4'-P energy: -19.488
bonds (distance) P-C4' energy: -20.417
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -14.659
tors. eta vs tors. theta energy: -26.443
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: 197
Temperature: 1.150000
Total energy: -243.895832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.895832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.236835 (E_RNA)
where:
Base-Base interactions energy: -153.384
where: short stacking energy: -82.303
Base-Backbone interact. energy: -0.603
local terms energy: -90.249679
where:
bonds (distance) C4'-P energy: -23.768
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -21.013
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -19.203
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: 7, replica: 9
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -243.993453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.993453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.460900 (E_RNA)
where:
Base-Base interactions energy: -155.832
where: short stacking energy: -71.335
Base-Backbone interact. energy: -0.844
local terms energy: -88.785177
where:
bonds (distance) C4'-P energy: -21.871
bonds (distance) P-C4' energy: -20.647
flat angles C4'-P-C4' energy: -14.923
flat angles P-C4'-P energy: -14.522
tors. eta vs tors. theta energy: -16.822
Dist. restrs. and SS energy: 1.467 (S_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: -227.987770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.987770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.658224 (E_RNA)
where:
Base-Base interactions energy: -132.854
where: short stacking energy: -62.632
Base-Backbone interact. energy: -0.061
local terms energy: -96.743745
where:
bonds (distance) C4'-P energy: -23.241
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -24.650
flat angles P-C4'-P energy: -16.262
tors. eta vs tors. theta energy: -15.563
Dist. restrs. and SS energy: 1.670 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -209.388063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.388063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.965414 (E_RNA)
where:
Base-Base interactions energy: -133.460
where: short stacking energy: -73.610
Base-Backbone interact. energy: 0.696
local terms energy: -77.200603
where:
bonds (distance) C4'-P energy: -15.070
bonds (distance) P-C4' energy: -23.389
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -5.443
tors. eta vs tors. theta energy: -17.471
Dist. restrs. and SS energy: 0.577 (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: 197
Temperature: 1.350000
Total energy: -210.492028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.492028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.575101 (E_RNA)
where:
Base-Base interactions energy: -135.145
where: short stacking energy: -65.176
Base-Backbone interact. energy: -0.820
local terms energy: -74.609207
where:
bonds (distance) C4'-P energy: -20.650
bonds (distance) P-C4' energy: -10.286
flat angles C4'-P-C4' energy: -23.193
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -10.045
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: 4
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -299.972955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.972955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.991096 (E_RNA)
where:
Base-Base interactions energy: -183.085
where: short stacking energy: -106.274
Base-Backbone interact. energy: -0.018
local terms energy: -116.888560
where:
bonds (distance) C4'-P energy: -23.602
bonds (distance) P-C4' energy: -19.964
flat angles C4'-P-C4' energy: -24.979
flat angles P-C4'-P energy: -17.192
tors. eta vs tors. theta energy: -31.152
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: 3
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -273.653001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.653001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.246990 (E_RNA)
where:
Base-Base interactions energy: -175.153
where: short stacking energy: -89.871
Base-Backbone interact. energy: -0.287
local terms energy: -99.807621
where:
bonds (distance) C4'-P energy: -20.990
bonds (distance) P-C4' energy: -23.619
flat angles C4'-P-C4' energy: -22.604
flat angles P-C4'-P energy: -13.108
tors. eta vs tors. theta energy: -19.486
Dist. restrs. and SS energy: 1.594 (S_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: 198
Temperature: 1.000000
Total energy: -289.096269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.096269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.720042 (E_RNA)
where:
Base-Base interactions energy: -181.424
where: short stacking energy: -91.598
Base-Backbone interact. energy: -0.067
local terms energy: -109.228691
where:
bonds (distance) C4'-P energy: -23.168
bonds (distance) P-C4' energy: -21.347
flat angles C4'-P-C4' energy: -23.698
flat angles P-C4'-P energy: -13.636
tors. eta vs tors. theta energy: -27.379
Dist. restrs. and SS energy: 1.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -259.689581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.689581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.899325 (E_RNA)
where:
Base-Base interactions energy: -156.663
where: short stacking energy: -88.799
Base-Backbone interact. energy: 0.014
local terms energy: -103.249956
where:
bonds (distance) C4'-P energy: -17.055
bonds (distance) P-C4' energy: -20.204
flat angles C4'-P-C4' energy: -25.726
flat angles P-C4'-P energy: -14.923
tors. eta vs tors. theta energy: -25.342
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: 2
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -250.869821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.869821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.905103 (E_RNA)
where:
Base-Base interactions energy: -149.819
where: short stacking energy: -76.880
Base-Backbone interact. energy: -0.414
local terms energy: -100.672837
where:
bonds (distance) C4'-P energy: -22.318
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -20.415
flat angles P-C4'-P energy: -18.538
tors. eta vs tors. theta energy: -22.709
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -236.661746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.661746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.730988 (E_RNA)
where:
Base-Base interactions energy: -133.064
where: short stacking energy: -68.773
Base-Backbone interact. energy: -0.705
local terms energy: -102.962383
where:
bonds (distance) C4'-P energy: -22.696
bonds (distance) P-C4' energy: -27.069
flat angles C4'-P-C4' energy: -20.177
flat angles P-C4'-P energy: -17.100
tors. eta vs tors. theta energy: -15.920
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: 5
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -228.914026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.914026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.275790 (E_RNA)
where:
Base-Base interactions energy: -137.965
where: short stacking energy: -64.247
Base-Backbone interact. energy: 0.081
local terms energy: -91.391818
where:
bonds (distance) C4'-P energy: -17.462
bonds (distance) P-C4' energy: -24.434
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -14.922
tors. eta vs tors. theta energy: -17.834
Dist. restrs. and SS energy: 0.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -210.630141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.630141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.710684 (E_RNA)
where:
Base-Base interactions energy: -128.788
where: short stacking energy: -68.299
Base-Backbone interact. energy: -0.189
local terms energy: -81.733896
where:
bonds (distance) C4'-P energy: -21.305
bonds (distance) P-C4' energy: -21.047
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -13.546
tors. eta vs tors. theta energy: -10.526
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: 10
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -216.103027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.103027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.210100 (E_RNA)
where:
Base-Base interactions energy: -132.122
where: short stacking energy: -67.402
Base-Backbone interact. energy: 1.153
local terms energy: -85.240660
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -20.687
flat angles C4'-P-C4' energy: -23.480
flat angles P-C4'-P energy: -15.176
tors. eta vs tors. theta energy: -8.641
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: 8
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -190.984962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.984962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.296731 (E_RNA)
where:
Base-Base interactions energy: -110.515
where: short stacking energy: -44.302
Base-Backbone interact. energy: -0.411
local terms energy: -80.370631
where:
bonds (distance) C4'-P energy: -24.070
bonds (distance) P-C4' energy: -21.778
flat angles C4'-P-C4' energy: -17.758
flat angles P-C4'-P energy: -12.140
tors. eta vs tors. theta energy: -4.625
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: 1, replica: 4
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -307.527535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.527535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.551796 (E_RNA)
where:
Base-Base interactions energy: -189.320
where: short stacking energy: -113.776
Base-Backbone interact. energy: -0.282
local terms energy: -117.949330
where:
bonds (distance) C4'-P energy: -19.266
bonds (distance) P-C4' energy: -25.520
flat angles C4'-P-C4' energy: -24.356
flat angles P-C4'-P energy: -14.876
tors. eta vs tors. theta energy: -33.931
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -296.498823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.498823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.116305 (E_RNA)
where:
Base-Base interactions energy: -186.205
where: short stacking energy: -102.928
Base-Backbone interact. energy: -0.012
local terms energy: -111.899767
where:
bonds (distance) C4'-P energy: -17.223
bonds (distance) P-C4' energy: -22.072
flat angles C4'-P-C4' energy: -21.204
flat angles P-C4'-P energy: -17.203
tors. eta vs tors. theta energy: -34.198
Dist. restrs. and SS energy: 1.617 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -254.973572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.973572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.460724 (E_RNA)
where:
Base-Base interactions energy: -152.973
where: short stacking energy: -82.188
Base-Backbone interact. energy: 0.390
local terms energy: -103.877690
where:
bonds (distance) C4'-P energy: -23.241
bonds (distance) P-C4' energy: -22.606
flat angles C4'-P-C4' energy: -22.087
flat angles P-C4'-P energy: -12.767
tors. eta vs tors. theta energy: -23.177
Dist. restrs. and SS energy: 1.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -241.115194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.115194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.184733 (E_RNA)
where:
Base-Base interactions energy: -142.312
where: short stacking energy: -68.893
Base-Backbone interact. energy: -0.460
local terms energy: -98.412674
where:
bonds (distance) C4'-P energy: -22.322
bonds (distance) P-C4' energy: -24.744
flat angles C4'-P-C4' energy: -19.978
flat angles P-C4'-P energy: -16.163
tors. eta vs tors. theta energy: -15.206
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: 7
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -253.211943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.211943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.248850 (E_RNA)
where:
Base-Base interactions energy: -149.240
where: short stacking energy: -88.527
Base-Backbone interact. energy: -0.047
local terms energy: -103.962049
where:
bonds (distance) C4'-P energy: -19.582
bonds (distance) P-C4' energy: -23.444
flat angles C4'-P-C4' energy: -21.676
flat angles P-C4'-P energy: -12.395
tors. eta vs tors. theta energy: -26.864
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -246.861432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.861432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.375223 (E_RNA)
where:
Base-Base interactions energy: -146.826
where: short stacking energy: -79.537
Base-Backbone interact. energy: -0.016
local terms energy: -101.533513
where:
bonds (distance) C4'-P energy: -20.712
bonds (distance) P-C4' energy: -21.678
flat angles C4'-P-C4' energy: -21.392
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -25.661
Dist. restrs. and SS energy: 1.514 (S_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: 199
Temperature: 1.200000
Total energy: -224.193517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.193517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.312224 (E_RNA)
where:
Base-Base interactions energy: -141.852
where: short stacking energy: -72.299
Base-Backbone interact. energy: -0.573
local terms energy: -81.887051
where:
bonds (distance) C4'-P energy: -22.608
bonds (distance) P-C4' energy: -16.002
flat angles C4'-P-C4' energy: -18.864
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -12.416
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: 199
Temperature: 1.250000
Total energy: -203.473271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.473271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.804648 (E_RNA)
where:
Base-Base interactions energy: -129.908
where: short stacking energy: -65.325
Base-Backbone interact. energy: -0.140
local terms energy: -73.756163
where:
bonds (distance) C4'-P energy: -11.592
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -16.961
tors. eta vs tors. theta energy: -15.841
Dist. restrs. and SS energy: 0.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -201.861942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.861942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.252115 (E_RNA)
where:
Base-Base interactions energy: -120.608
where: short stacking energy: -57.981
Base-Backbone interact. energy: -0.921
local terms energy: -80.723020
where:
bonds (distance) C4'-P energy: -18.059
bonds (distance) P-C4' energy: -20.375
flat angles C4'-P-C4' energy: -24.907
flat angles P-C4'-P energy: -6.277
tors. eta vs tors. theta energy: -11.105
Dist. restrs. and SS energy: 0.390 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -206.747280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.747280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.761484 (E_RNA)
where:
Base-Base interactions energy: -122.661
where: short stacking energy: -59.721
Base-Backbone interact. energy: -0.416
local terms energy: -83.684674
where:
bonds (distance) C4'-P energy: -11.141
bonds (distance) P-C4' energy: -20.543
flat angles C4'-P-C4' energy: -23.851
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: -14.565
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: 1, replica: 4
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -293.522757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.522757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.561027 (E_RNA)
where:
Base-Base interactions energy: -177.745
where: short stacking energy: -94.054
Base-Backbone interact. energy: -0.046
local terms energy: -115.770063
where:
bonds (distance) C4'-P energy: -21.941
bonds (distance) P-C4' energy: -27.005
flat angles C4'-P-C4' energy: -23.357
flat angles P-C4'-P energy: -13.549
tors. eta vs tors. theta energy: -29.918
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: 6
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -291.948812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.948812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.589259 (E_RNA)
where:
Base-Base interactions energy: -178.404
where: short stacking energy: -100.872
Base-Backbone interact. energy: -0.114
local terms energy: -114.071006
where:
bonds (distance) C4'-P energy: -24.091
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -22.666
flat angles P-C4'-P energy: -15.923
tors. eta vs tors. theta energy: -33.724
Dist. restrs. and SS energy: 0.640 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -263.643919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.643919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.643919 (E_RNA)
where:
Base-Base interactions energy: -166.175
where: short stacking energy: -98.896
Base-Backbone interact. energy: -0.259
local terms energy: -97.210271
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -20.710
flat angles C4'-P-C4' energy: -21.313
flat angles P-C4'-P energy: -16.298
tors. eta vs tors. theta energy: -21.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -257.762009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.762009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.802288 (E_RNA)
where:
Base-Base interactions energy: -155.676
where: short stacking energy: -86.204
Base-Backbone interact. energy: -0.064
local terms energy: -102.062582
where:
bonds (distance) C4'-P energy: -18.780
bonds (distance) P-C4' energy: -21.690
flat angles C4'-P-C4' energy: -23.659
flat angles P-C4'-P energy: -16.639
tors. eta vs tors. theta energy: -21.294
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: 200
Temperature: 1.100000
Total energy: -249.656635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.656635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.893732 (E_RNA)
where:
Base-Base interactions energy: -157.082
where: short stacking energy: -83.456
Base-Backbone interact. energy: -0.620
local terms energy: -92.190955
where:
bonds (distance) C4'-P energy: -10.372
bonds (distance) P-C4' energy: -20.555
flat angles C4'-P-C4' energy: -22.675
flat angles P-C4'-P energy: -14.478
tors. eta vs tors. theta energy: -24.112
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: 6, replica: 7
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -242.064490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.064490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.327508 (E_RNA)
where:
Base-Base interactions energy: -139.739
where: short stacking energy: -78.981
Base-Backbone interact. energy: -0.774
local terms energy: -101.814837
where:
bonds (distance) C4'-P energy: -17.751
bonds (distance) P-C4' energy: -23.225
flat angles C4'-P-C4' energy: -22.137
flat angles P-C4'-P energy: -19.201
tors. eta vs tors. theta energy: -19.500
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: 10
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -199.809079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.809079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.907334 (E_RNA)
where:
Base-Base interactions energy: -111.181
where: short stacking energy: -54.806
Base-Backbone interact. energy: -0.206
local terms energy: -88.520247
where:
bonds (distance) C4'-P energy: -21.917
bonds (distance) P-C4' energy: -20.646
flat angles C4'-P-C4' energy: -18.498
flat angles P-C4'-P energy: -16.406
tors. eta vs tors. theta energy: -11.052
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: 5
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -213.874531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.874531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.886274 (E_RNA)
where:
Base-Base interactions energy: -126.691
where: short stacking energy: -59.777
Base-Backbone interact. energy: -0.614
local terms energy: -86.580654
where:
bonds (distance) C4'-P energy: -21.595
bonds (distance) P-C4' energy: -21.769
flat angles C4'-P-C4' energy: -22.914
flat angles P-C4'-P energy: -11.256
tors. eta vs tors. theta energy: -9.047
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: 200
Temperature: 1.300000
Total energy: -202.602765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.602765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.815530 (E_RNA)
where:
Base-Base interactions energy: -120.734
where: short stacking energy: -58.018
Base-Backbone interact. energy: -1.025
local terms energy: -81.056623
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -17.943
flat angles C4'-P-C4' energy: -19.141
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -16.536
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: 10, replica: 9
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -196.210458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.210458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.258489 (E_RNA)
where:
Base-Base interactions energy: -124.008
where: short stacking energy: -63.193
Base-Backbone interact. energy: 0.387
local terms energy: -72.638451
where:
bonds (distance) C4'-P energy: -12.859
bonds (distance) P-C4' energy: -18.776
flat angles C4'-P-C4' energy: -18.929
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -9.603
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: 4
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -289.525134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.525134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.601937 (E_RNA)
where:
Base-Base interactions energy: -173.153
where: short stacking energy: -96.427
Base-Backbone interact. energy: -0.038
local terms energy: -116.410526
where:
bonds (distance) C4'-P energy: -23.172
bonds (distance) P-C4' energy: -22.179
flat angles C4'-P-C4' energy: -25.417
flat angles P-C4'-P energy: -15.761
tors. eta vs tors. theta energy: -29.882
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: 6
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -291.396203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.396203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.512023 (E_RNA)
where:
Base-Base interactions energy: -183.064
where: short stacking energy: -93.970
Base-Backbone interact. energy: 2.255
local terms energy: -110.702687
where:
bonds (distance) C4'-P energy: -18.295
bonds (distance) P-C4' energy: -26.117
flat angles C4'-P-C4' energy: -24.333
flat angles P-C4'-P energy: -13.095
tors. eta vs tors. theta energy: -28.862
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: 3
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -259.645795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.645795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.669787 (E_RNA)
where:
Base-Base interactions energy: -149.456
where: short stacking energy: -84.142
Base-Backbone interact. energy: -0.047
local terms energy: -110.166737
where:
bonds (distance) C4'-P energy: -20.150
bonds (distance) P-C4' energy: -24.099
flat angles C4'-P-C4' energy: -24.455
flat angles P-C4'-P energy: -19.233
tors. eta vs tors. theta energy: -22.230
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: 201
Temperature: 1.050000
Total energy: -251.530198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.530198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.781587 (E_RNA)
where:
Base-Base interactions energy: -157.265
where: short stacking energy: -79.414
Base-Backbone interact. energy: 0.386
local terms energy: -94.902264
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -24.598
flat angles C4'-P-C4' energy: -25.481
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -18.245
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: 5, replica: 2
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -231.465521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.465521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.465521 (E_RNA)
where:
Base-Base interactions energy: -142.567
where: short stacking energy: -76.091
Base-Backbone interact. energy: -0.354
local terms energy: -88.543917
where:
bonds (distance) C4'-P energy: -21.760
bonds (distance) P-C4' energy: -21.501
flat angles C4'-P-C4' energy: -19.144
flat angles P-C4'-P energy: -13.781
tors. eta vs tors. theta energy: -12.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -261.465802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.465802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.525380 (E_RNA)
where:
Base-Base interactions energy: -167.603
where: short stacking energy: -90.957
Base-Backbone interact. energy: -0.274
local terms energy: -93.648506
where:
bonds (distance) C4'-P energy: -17.549
bonds (distance) P-C4' energy: -20.687
flat angles C4'-P-C4' energy: -23.550
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -22.502
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: 10
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -221.165094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.165094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.238768 (E_RNA)
where:
Base-Base interactions energy: -142.784
where: short stacking energy: -77.176
Base-Backbone interact. energy: -0.130
local terms energy: -78.324231
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -12.991
flat angles C4'-P-C4' energy: -17.391
flat angles P-C4'-P energy: -14.439
tors. eta vs tors. theta energy: -17.839
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: 201
Temperature: 1.250000
Total energy: -228.198645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.198645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.924387 (E_RNA)
where:
Base-Base interactions energy: -138.570
where: short stacking energy: -57.924
Base-Backbone interact. energy: -0.130
local terms energy: -91.224029
where:
bonds (distance) C4'-P energy: -23.548
bonds (distance) P-C4' energy: -20.196
flat angles C4'-P-C4' energy: -21.548
flat angles P-C4'-P energy: -13.428
tors. eta vs tors. theta energy: -12.504
Dist. restrs. and SS energy: 1.726 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -217.248181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.248181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.407516 (E_RNA)
where:
Base-Base interactions energy: -130.132
where: short stacking energy: -64.913
Base-Backbone interact. energy: -0.457
local terms energy: -88.817570
where:
bonds (distance) C4'-P energy: -18.239
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -20.956
flat angles P-C4'-P energy: -14.867
tors. eta vs tors. theta energy: -20.210
Dist. restrs. and SS energy: 2.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -212.582401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.582401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.700178 (E_RNA)
where:
Base-Base interactions energy: -125.157
where: short stacking energy: -56.726
Base-Backbone interact. energy: -0.413
local terms energy: -87.130107
where:
bonds (distance) C4'-P energy: -23.106
bonds (distance) P-C4' energy: -20.755
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -17.908
tors. eta vs tors. theta energy: -11.104
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: 1, replica: 6
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -308.221459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.221459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.344179 (E_RNA)
where:
Base-Base interactions energy: -183.862
where: short stacking energy: -116.102
Base-Backbone interact. energy: -0.320
local terms energy: -124.161739
where:
bonds (distance) C4'-P energy: -24.815
bonds (distance) P-C4' energy: -25.159
flat angles C4'-P-C4' energy: -22.516
flat angles P-C4'-P energy: -16.274
tors. eta vs tors. theta energy: -35.398
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -281.476321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.476321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.675304 (E_RNA)
where:
Base-Base interactions energy: -162.828
where: short stacking energy: -92.385
Base-Backbone interact. energy: -0.418
local terms energy: -118.428513
where:
bonds (distance) C4'-P energy: -26.744
bonds (distance) P-C4' energy: -23.704
flat angles C4'-P-C4' energy: -24.686
flat angles P-C4'-P energy: -15.751
tors. eta vs tors. theta energy: -27.544
Dist. restrs. and SS energy: 0.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -263.199810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.199810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.808880 (E_RNA)
where:
Base-Base interactions energy: -163.142
where: short stacking energy: -83.584
Base-Backbone interact. energy: -0.334
local terms energy: -100.332997
where:
bonds (distance) C4'-P energy: -21.072
bonds (distance) P-C4' energy: -22.457
flat angles C4'-P-C4' energy: -17.591
flat angles P-C4'-P energy: -18.030
tors. eta vs tors. theta energy: -21.183
Dist. restrs. and SS energy: 0.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -246.430215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.430215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.457438 (E_RNA)
where:
Base-Base interactions energy: -149.074
where: short stacking energy: -83.108
Base-Backbone interact. energy: -0.060
local terms energy: -97.322920
where:
bonds (distance) C4'-P energy: -17.651
bonds (distance) P-C4' energy: -23.439
flat angles C4'-P-C4' energy: -20.157
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -24.639
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -234.547779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.547779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.553045 (E_RNA)
where:
Base-Base interactions energy: -141.906
where: short stacking energy: -73.798
Base-Backbone interact. energy: -0.023
local terms energy: -92.623886
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -21.763
flat angles C4'-P-C4' energy: -20.725
flat angles P-C4'-P energy: -12.162
tors. eta vs tors. theta energy: -20.729
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: 2
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -249.090306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.090306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.193257 (E_RNA)
where:
Base-Base interactions energy: -160.047
where: short stacking energy: -91.457
Base-Backbone interact. energy: -0.429
local terms energy: -88.717117
where:
bonds (distance) C4'-P energy: -21.258
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -20.282
flat angles P-C4'-P energy: -11.860
tors. eta vs tors. theta energy: -21.341
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: 202
Temperature: 1.200000
Total energy: -230.785181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.785181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.148944 (E_RNA)
where:
Base-Base interactions energy: -144.349
where: short stacking energy: -77.572
Base-Backbone interact. energy: -0.019
local terms energy: -86.780922
where:
bonds (distance) C4'-P energy: -17.120
bonds (distance) P-C4' energy: -18.083
flat angles C4'-P-C4' energy: -18.130
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: -23.005
Dist. restrs. and SS energy: 0.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -226.772970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.772970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.775736 (E_RNA)
where:
Base-Base interactions energy: -135.518
where: short stacking energy: -71.044
Base-Backbone interact. energy: -0.092
local terms energy: -91.165393
where:
bonds (distance) C4'-P energy: -16.406
bonds (distance) P-C4' energy: -23.381
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -13.441
tors. eta vs tors. theta energy: -21.147
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: 202
Temperature: 1.300000
Total energy: -214.979777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.979777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.019945 (E_RNA)
where:
Base-Base interactions energy: -125.127
where: short stacking energy: -62.789
Base-Backbone interact. energy: 0.885
local terms energy: -90.778512
where:
bonds (distance) C4'-P energy: -24.038
bonds (distance) P-C4' energy: -16.938
flat angles C4'-P-C4' energy: -24.766
flat angles P-C4'-P energy: -12.867
tors. eta vs tors. theta energy: -12.171
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: 202
Temperature: 1.350000
Total energy: -209.538126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.538126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.569100 (E_RNA)
where:
Base-Base interactions energy: -122.963
where: short stacking energy: -59.698
Base-Backbone interact. energy: -0.538
local terms energy: -86.067553
where:
bonds (distance) C4'-P energy: -23.030
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -20.927
flat angles P-C4'-P energy: -18.835
tors. eta vs tors. theta energy: -10.548
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: 203
Temperature: 0.900000
Total energy: -310.019970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.019970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.019970 (E_RNA)
where:
Base-Base interactions energy: -189.093
where: short stacking energy: -109.609
Base-Backbone interact. energy: -0.004
local terms energy: -120.922691
where:
bonds (distance) C4'-P energy: -22.956
bonds (distance) P-C4' energy: -23.409
flat angles C4'-P-C4' energy: -24.259
flat angles P-C4'-P energy: -17.167
tors. eta vs tors. theta energy: -33.132
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -284.539997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.539997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.803802 (E_RNA)
where:
Base-Base interactions energy: -169.711
where: short stacking energy: -100.370
Base-Backbone interact. energy: -0.579
local terms energy: -114.514193
where:
bonds (distance) C4'-P energy: -22.175
bonds (distance) P-C4' energy: -21.872
flat angles C4'-P-C4' energy: -24.452
flat angles P-C4'-P energy: -13.875
tors. eta vs tors. theta energy: -32.140
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: 3, replica: 1
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -258.632808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.632808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.834963 (E_RNA)
where:
Base-Base interactions energy: -170.098
where: short stacking energy: -84.361
Base-Backbone interact. energy: -0.163
local terms energy: -89.574702
where:
bonds (distance) C4'-P energy: -14.983
bonds (distance) P-C4' energy: -21.646
flat angles C4'-P-C4' energy: -21.304
flat angles P-C4'-P energy: -15.580
tors. eta vs tors. theta energy: -16.062
Dist. restrs. and SS energy: 1.202 (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: 7
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -250.196257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.196257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.196257 (E_RNA)
where:
Base-Base interactions energy: -150.868
where: short stacking energy: -81.949
Base-Backbone interact. energy: -0.218
local terms energy: -99.110550
where:
bonds (distance) C4'-P energy: -19.446
bonds (distance) P-C4' energy: -19.774
flat angles C4'-P-C4' energy: -23.867
flat angles P-C4'-P energy: -14.587
tors. eta vs tors. theta energy: -21.438
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -251.021853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.021853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.243349 (E_RNA)
where:
Base-Base interactions energy: -154.473
where: short stacking energy: -87.679
Base-Backbone interact. energy: -0.008
local terms energy: -96.762079
where:
bonds (distance) C4'-P energy: -19.073
bonds (distance) P-C4' energy: -19.615
flat angles C4'-P-C4' energy: -22.078
flat angles P-C4'-P energy: -15.882
tors. eta vs tors. theta energy: -20.115
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: 6, replica: 8
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -247.044835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.044835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.109842 (E_RNA)
where:
Base-Base interactions energy: -153.026
where: short stacking energy: -85.376
Base-Backbone interact. energy: -0.297
local terms energy: -93.787039
where:
bonds (distance) C4'-P energy: -18.920
bonds (distance) P-C4' energy: -17.402
flat angles C4'-P-C4' energy: -21.886
flat angles P-C4'-P energy: -15.580
tors. eta vs tors. theta energy: -19.999
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -230.878011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.878011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.523759 (E_RNA)
where:
Base-Base interactions energy: -142.268
where: short stacking energy: -73.651
Base-Backbone interact. energy: -0.211
local terms energy: -89.044333
where:
bonds (distance) C4'-P energy: -14.945
bonds (distance) P-C4' energy: -20.977
flat angles C4'-P-C4' energy: -22.580
flat angles P-C4'-P energy: -8.075
tors. eta vs tors. theta energy: -22.468
Dist. restrs. and SS energy: 0.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -213.352886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.352886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.391478 (E_RNA)
where:
Base-Base interactions energy: -133.427
where: short stacking energy: -71.456
Base-Backbone interact. energy: -0.165
local terms energy: -79.799551
where:
bonds (distance) C4'-P energy: -13.066
bonds (distance) P-C4' energy: -20.878
flat angles C4'-P-C4' energy: -20.293
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: -16.486
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -199.743291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.743291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.686161 (E_RNA)
where:
Base-Base interactions energy: -121.421
where: short stacking energy: -56.482
Base-Backbone interact. energy: -0.496
local terms energy: -78.769269
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -15.934
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -14.716
tors. eta vs tors. theta energy: -16.148
Dist. restrs. and SS energy: 0.943 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -225.605934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.605934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.725950 (E_RNA)
where:
Base-Base interactions energy: -132.827
where: short stacking energy: -74.764
Base-Backbone interact. energy: -0.520
local terms energy: -92.378376
where:
bonds (distance) C4'-P energy: -17.334
bonds (distance) P-C4' energy: -18.707
flat angles C4'-P-C4' energy: -21.360
flat angles P-C4'-P energy: -13.244
tors. eta vs tors. theta energy: -21.733
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: 1, replica: 6
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -311.210994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.210994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.333662 (E_RNA)
where:
Base-Base interactions energy: -194.069
where: short stacking energy: -119.010
Base-Backbone interact. energy: -0.004
local terms energy: -117.260970
where:
bonds (distance) C4'-P energy: -25.390
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -22.141
flat angles P-C4'-P energy: -18.296
tors. eta vs tors. theta energy: -35.074
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -300.394857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.394857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.241020 (E_RNA)
where:
Base-Base interactions energy: -182.098
where: short stacking energy: -108.506
Base-Backbone interact. energy: -0.003
local terms energy: -120.139767
where:
bonds (distance) C4'-P energy: -22.331
bonds (distance) P-C4' energy: -25.207
flat angles C4'-P-C4' energy: -23.778
flat angles P-C4'-P energy: -16.263
tors. eta vs tors. theta energy: -32.560
Dist. restrs. and SS energy: 1.846 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -261.099404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.099404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.112579 (E_RNA)
where:
Base-Base interactions energy: -159.659
where: short stacking energy: -90.813
Base-Backbone interact. energy: -0.086
local terms energy: -101.367904
where:
bonds (distance) C4'-P energy: -25.701
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -20.525
flat angles P-C4'-P energy: -18.237
tors. eta vs tors. theta energy: -22.669
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -255.231575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.231575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.236118 (E_RNA)
where:
Base-Base interactions energy: -150.778
where: short stacking energy: -83.155
Base-Backbone interact. energy: -0.116
local terms energy: -104.341724
where:
bonds (distance) C4'-P energy: -19.470
bonds (distance) P-C4' energy: -22.298
flat angles C4'-P-C4' energy: -25.554
flat angles P-C4'-P energy: -16.792
tors. eta vs tors. theta energy: -20.228
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -246.712118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.712118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.742348 (E_RNA)
where:
Base-Base interactions energy: -149.940
where: short stacking energy: -80.168
Base-Backbone interact. energy: -0.154
local terms energy: -96.648772
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -26.104
flat angles C4'-P-C4' energy: -22.495
flat angles P-C4'-P energy: -12.782
tors. eta vs tors. theta energy: -20.412
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: 3
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -237.605327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.605327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.593848 (E_RNA)
where:
Base-Base interactions energy: -151.701
where: short stacking energy: -78.258
Base-Backbone interact. energy: -0.114
local terms energy: -86.779275
where:
bonds (distance) C4'-P energy: -22.289
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -21.070
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -19.169
Dist. restrs. and SS energy: 0.989 (S_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: 204
Temperature: 1.200000
Total energy: -220.105975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.105975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.425971 (E_RNA)
where:
Base-Base interactions energy: -132.774
where: short stacking energy: -59.033
Base-Backbone interact. energy: -0.910
local terms energy: -86.741979
where:
bonds (distance) C4'-P energy: -18.707
bonds (distance) P-C4' energy: -18.321
flat angles C4'-P-C4' energy: -20.538
flat angles P-C4'-P energy: -17.891
tors. eta vs tors. theta energy: -11.285
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: 8, replica: 9
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -205.162536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.162536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.206240 (E_RNA)
where:
Base-Base interactions energy: -124.948
where: short stacking energy: -60.537
Base-Backbone interact. energy: -0.177
local terms energy: -80.080623
where:
bonds (distance) C4'-P energy: -17.608
bonds (distance) P-C4' energy: -21.391
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -16.780
tors. eta vs tors. theta energy: -9.155
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: 204
Temperature: 1.300000
Total energy: -201.874802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.874802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.591590 (E_RNA)
where:
Base-Base interactions energy: -127.756
where: short stacking energy: -51.842
Base-Backbone interact. energy: -0.696
local terms energy: -75.139688
where:
bonds (distance) C4'-P energy: -17.641
bonds (distance) P-C4' energy: -18.586
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -8.445
tors. eta vs tors. theta energy: -14.691
Dist. restrs. and SS energy: 1.717 (S_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: 204
Temperature: 1.350000
Total energy: -197.903975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.903975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.201361 (E_RNA)
where:
Base-Base interactions energy: -117.656
where: short stacking energy: -53.818
Base-Backbone interact. energy: 1.682
local terms energy: -82.228069
where:
bonds (distance) C4'-P energy: -17.715
bonds (distance) P-C4' energy: -21.383
flat angles C4'-P-C4' energy: -17.484
flat angles P-C4'-P energy: -14.932
tors. eta vs tors. theta energy: -10.713
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: 1, replica: 6
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -292.717885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.717885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.731172 (E_RNA)
where:
Base-Base interactions energy: -180.359
where: short stacking energy: -105.853
Base-Backbone interact. energy: -0.039
local terms energy: -112.333335
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -24.881
flat angles C4'-P-C4' energy: -25.575
flat angles P-C4'-P energy: -16.424
tors. eta vs tors. theta energy: -29.494
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: 205
Temperature: 0.950000
Total energy: -279.804757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.804757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.804757 (E_RNA)
where:
Base-Base interactions energy: -178.850
where: short stacking energy: -97.754
Base-Backbone interact. energy: -0.227
local terms energy: -100.728021
where:
bonds (distance) C4'-P energy: -17.946
bonds (distance) P-C4' energy: -19.222
flat angles C4'-P-C4' energy: -20.899
flat angles P-C4'-P energy: -18.879
tors. eta vs tors. theta energy: -23.782
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -259.331959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.331959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.486627 (E_RNA)
where:
Base-Base interactions energy: -166.379
where: short stacking energy: -84.352
Base-Backbone interact. energy: -0.376
local terms energy: -93.732260
where:
bonds (distance) C4'-P energy: -16.556
bonds (distance) P-C4' energy: -20.357
flat angles C4'-P-C4' energy: -25.082
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -22.185
Dist. restrs. and SS energy: 1.155 (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: 8
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -269.892571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.892571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.937851 (E_RNA)
where:
Base-Base interactions energy: -159.417
where: short stacking energy: -95.317
Base-Backbone interact. energy: -0.103
local terms energy: -110.418588
where:
bonds (distance) C4'-P energy: -22.014
bonds (distance) P-C4' energy: -24.325
flat angles C4'-P-C4' energy: -19.002
flat angles P-C4'-P energy: -18.133
tors. eta vs tors. theta energy: -26.945
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: 1
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -249.272348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.272348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.690646 (E_RNA)
where:
Base-Base interactions energy: -151.970
where: short stacking energy: -78.739
Base-Backbone interact. energy: -0.293
local terms energy: -97.427265
where:
bonds (distance) C4'-P energy: -22.310
bonds (distance) P-C4' energy: -24.219
flat angles C4'-P-C4' energy: -21.170
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -19.305
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: 6, replica: 2
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -248.582977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.582977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.668367 (E_RNA)
where:
Base-Base interactions energy: -148.678
where: short stacking energy: -68.683
Base-Backbone interact. energy: -0.319
local terms energy: -99.671333
where:
bonds (distance) C4'-P energy: -18.307
bonds (distance) P-C4' energy: -24.022
flat angles C4'-P-C4' energy: -23.635
flat angles P-C4'-P energy: -17.453
tors. eta vs tors. theta energy: -16.254
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: 205
Temperature: 1.200000
Total energy: -235.687622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.687622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.924213 (E_RNA)
where:
Base-Base interactions energy: -149.971
where: short stacking energy: -64.249
Base-Backbone interact. energy: -0.149
local terms energy: -87.803680
where:
bonds (distance) C4'-P energy: -19.753
bonds (distance) P-C4' energy: -25.107
flat angles C4'-P-C4' energy: -17.939
flat angles P-C4'-P energy: -16.354
tors. eta vs tors. theta energy: -8.651
Dist. restrs. and SS energy: 2.237 (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: 5
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -217.359039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.359039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.534694 (E_RNA)
where:
Base-Base interactions energy: -129.704
where: short stacking energy: -61.079
Base-Backbone interact. energy: -0.356
local terms energy: -87.473966
where:
bonds (distance) C4'-P energy: -19.643
bonds (distance) P-C4' energy: -20.159
flat angles C4'-P-C4' energy: -22.755
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -14.650
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: 9
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -214.942443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.942443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.392591 (E_RNA)
where:
Base-Base interactions energy: -137.949
where: short stacking energy: -72.174
Base-Backbone interact. energy: -0.458
local terms energy: -77.985389
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -16.162
flat angles C4'-P-C4' energy: -22.977
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -18.161
Dist. restrs. and SS energy: 1.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -192.699475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.699475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.812339 (E_RNA)
where:
Base-Base interactions energy: -110.126
where: short stacking energy: -53.992
Base-Backbone interact. energy: 0.613
local terms energy: -83.299545
where:
bonds (distance) C4'-P energy: -20.319
bonds (distance) P-C4' energy: -18.719
flat angles C4'-P-C4' energy: -20.205
flat angles P-C4'-P energy: -14.589
tors. eta vs tors. theta energy: -9.468
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: 1, replica: 6
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -293.946795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.946795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.071463 (E_RNA)
where:
Base-Base interactions energy: -178.399
where: short stacking energy: -107.786
Base-Backbone interact. energy: -0.218
local terms energy: -115.454442
where:
bonds (distance) C4'-P energy: -20.915
bonds (distance) P-C4' energy: -18.422
flat angles C4'-P-C4' energy: -23.629
flat angles P-C4'-P energy: -18.768
tors. eta vs tors. theta energy: -33.721
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -300.819939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.819939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.399180 (E_RNA)
where:
Base-Base interactions energy: -190.458
where: short stacking energy: -105.920
Base-Backbone interact. energy: -0.059
local terms energy: -111.881604
where:
bonds (distance) C4'-P energy: -23.271
bonds (distance) P-C4' energy: -21.166
flat angles C4'-P-C4' energy: -21.403
flat angles P-C4'-P energy: -15.881
tors. eta vs tors. theta energy: -30.160
Dist. restrs. and SS energy: 1.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -276.395807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.395807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.506158 (E_RNA)
where:
Base-Base interactions energy: -168.198
where: short stacking energy: -100.613
Base-Backbone interact. energy: -0.631
local terms energy: -107.676886
where:
bonds (distance) C4'-P energy: -22.842
bonds (distance) P-C4' energy: -20.815
flat angles C4'-P-C4' energy: -18.851
flat angles P-C4'-P energy: -16.786
tors. eta vs tors. theta energy: -28.382
Dist. restrs. and SS energy: 0.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -265.302719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.302719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.937718 (E_RNA)
where:
Base-Base interactions energy: -158.199
where: short stacking energy: -86.591
Base-Backbone interact. energy: 0.681
local terms energy: -108.419976
where:
bonds (distance) C4'-P energy: -20.298
bonds (distance) P-C4' energy: -18.284
flat angles C4'-P-C4' energy: -22.488
flat angles P-C4'-P energy: -17.972
tors. eta vs tors. theta energy: -29.379
Dist. restrs. and SS energy: 0.635 (S_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: 206
Temperature: 1.100000
Total energy: -246.670086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.670086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.670086 (E_RNA)
where:
Base-Base interactions energy: -153.521
where: short stacking energy: -87.107
Base-Backbone interact. energy: -0.948
local terms energy: -92.200592
where:
bonds (distance) C4'-P energy: -20.102
bonds (distance) P-C4' energy: -22.007
flat angles C4'-P-C4' energy: -20.738
flat angles P-C4'-P energy: -16.194
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: 2
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -242.525587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.525587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.526933 (E_RNA)
where:
Base-Base interactions energy: -145.860
where: short stacking energy: -69.466
Base-Backbone interact. energy: 0.030
local terms energy: -96.697115
where:
bonds (distance) C4'-P energy: -20.553
bonds (distance) P-C4' energy: -18.932
flat angles C4'-P-C4' energy: -25.154
flat angles P-C4'-P energy: -13.118
tors. eta vs tors. theta energy: -18.941
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: 206
Temperature: 1.200000
Total energy: -239.840228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.840228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.790354 (E_RNA)
where:
Base-Base interactions energy: -143.874
where: short stacking energy: -77.173
Base-Backbone interact. energy: -0.005
local terms energy: -96.911713
where:
bonds (distance) C4'-P energy: -23.685
bonds (distance) P-C4' energy: -21.572
flat angles C4'-P-C4' energy: -16.645
flat angles P-C4'-P energy: -16.233
tors. eta vs tors. theta energy: -18.776
Dist. restrs. and SS energy: 0.950 (S_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: -214.379369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.379369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.379369 (E_RNA)
where:
Base-Base interactions energy: -129.966
where: short stacking energy: -62.711
Base-Backbone interact. energy: -0.595
local terms energy: -83.818500
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -24.991
flat angles C4'-P-C4' energy: -20.568
flat angles P-C4'-P energy: -13.835
tors. eta vs tors. theta energy: -9.938
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -221.529442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.529442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.553055 (E_RNA)
where:
Base-Base interactions energy: -132.039
where: short stacking energy: -71.355
Base-Backbone interact. energy: -0.122
local terms energy: -89.392022
where:
bonds (distance) C4'-P energy: -18.721
bonds (distance) P-C4' energy: -23.595
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -12.463
tors. eta vs tors. theta energy: -17.956
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: 9
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -199.525567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.525567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.529802 (E_RNA)
where:
Base-Base interactions energy: -116.707
where: short stacking energy: -55.120
Base-Backbone interact. energy: -0.168
local terms energy: -82.654521
where:
bonds (distance) C4'-P energy: -19.351
bonds (distance) P-C4' energy: -21.050
flat angles C4'-P-C4' energy: -17.614
flat angles P-C4'-P energy: -13.340
tors. eta vs tors. theta energy: -11.299
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: 207
Temperature: 0.900000
Total energy: -293.055091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.055091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.117679 (E_RNA)
where:
Base-Base interactions energy: -184.839
where: short stacking energy: -104.175
Base-Backbone interact. energy: -0.248
local terms energy: -110.030163
where:
bonds (distance) C4'-P energy: -21.501
bonds (distance) P-C4' energy: -23.760
flat angles C4'-P-C4' energy: -23.416
flat angles P-C4'-P energy: -13.311
tors. eta vs tors. theta energy: -28.041
Dist. restrs. and SS energy: 2.063 (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: 207
Temperature: 0.950000
Total energy: -294.486137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.486137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.639486 (E_RNA)
where:
Base-Base interactions energy: -176.669
where: short stacking energy: -100.617
Base-Backbone interact. energy: -0.082
local terms energy: -117.887691
where:
bonds (distance) C4'-P energy: -24.166
bonds (distance) P-C4' energy: -25.079
flat angles C4'-P-C4' energy: -22.405
flat angles P-C4'-P energy: -14.268
tors. eta vs tors. theta energy: -31.971
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: 3, replica: 4
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -269.110661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.110661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.944684 (E_RNA)
where:
Base-Base interactions energy: -172.214
where: short stacking energy: -95.401
Base-Backbone interact. energy: -1.144
local terms energy: -96.586930
where:
bonds (distance) C4'-P energy: -21.528
bonds (distance) P-C4' energy: -18.201
flat angles C4'-P-C4' energy: -18.319
flat angles P-C4'-P energy: -17.388
tors. eta vs tors. theta energy: -21.150
Dist. restrs. and SS energy: 0.834 (S_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: 207
Temperature: 1.050000
Total energy: -261.484246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.484246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.188782 (E_RNA)
where:
Base-Base interactions energy: -157.117
where: short stacking energy: -76.063
Base-Backbone interact. energy: -0.216
local terms energy: -104.855571
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -24.917
flat angles C4'-P-C4' energy: -21.918
flat angles P-C4'-P energy: -18.692
tors. eta vs tors. theta energy: -23.004
Dist. restrs. and SS energy: 0.705 (S_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: 207
Temperature: 1.100000
Total energy: -259.466225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.466225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.517947 (E_RNA)
where:
Base-Base interactions energy: -157.628
where: short stacking energy: -89.762
Base-Backbone interact. energy: -0.096
local terms energy: -101.794447
where:
bonds (distance) C4'-P energy: -20.693
bonds (distance) P-C4' energy: -23.265
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -16.682
tors. eta vs tors. theta energy: -25.339
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: 3
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -236.217218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.217218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.441140 (E_RNA)
where:
Base-Base interactions energy: -137.752
where: short stacking energy: -83.522
Base-Backbone interact. energy: -0.127
local terms energy: -98.561695
where:
bonds (distance) C4'-P energy: -19.060
bonds (distance) P-C4' energy: -20.766
flat angles C4'-P-C4' energy: -22.254
flat angles P-C4'-P energy: -17.885
tors. eta vs tors. theta energy: -18.596
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: 7, replica: 2
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -224.535026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.535026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.730402 (E_RNA)
where:
Base-Base interactions energy: -139.260
where: short stacking energy: -71.887
Base-Backbone interact. energy: -0.521
local terms energy: -84.949468
where:
bonds (distance) C4'-P energy: -20.539
bonds (distance) P-C4' energy: -21.953
flat angles C4'-P-C4' energy: -16.649
flat angles P-C4'-P energy: -6.798
tors. eta vs tors. theta energy: -19.010
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: 8, replica: 10
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -208.873396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.873396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.963729 (E_RNA)
where:
Base-Base interactions energy: -117.297
where: short stacking energy: -59.614
Base-Backbone interact. energy: -0.366
local terms energy: -91.300871
where:
bonds (distance) C4'-P energy: -24.435
bonds (distance) P-C4' energy: -20.884
flat angles C4'-P-C4' energy: -19.790
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: -13.482
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: 5
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -215.402645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.402645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.748974 (E_RNA)
where:
Base-Base interactions energy: -123.961
where: short stacking energy: -64.718
Base-Backbone interact. energy: -0.203
local terms energy: -91.585570
where:
bonds (distance) C4'-P energy: -20.427
bonds (distance) P-C4' energy: -20.883
flat angles C4'-P-C4' energy: -16.802
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -22.281
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: 10, replica: 9
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -182.373638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.373638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.467792 (E_RNA)
where:
Base-Base interactions energy: -104.839
where: short stacking energy: -48.625
Base-Backbone interact. energy: -0.638
local terms energy: -76.990232
where:
bonds (distance) C4'-P energy: -17.612
bonds (distance) P-C4' energy: -25.385
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -16.266
tors. eta vs tors. theta energy: -3.631
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: 7
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -310.862195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.862195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.972932 (E_RNA)
where:
Base-Base interactions energy: -189.985
where: short stacking energy: -118.365
Base-Backbone interact. energy: -0.123
local terms energy: -120.864702
where:
bonds (distance) C4'-P energy: -21.664
bonds (distance) P-C4' energy: -19.684
flat angles C4'-P-C4' energy: -25.881
flat angles P-C4'-P energy: -20.253
tors. eta vs tors. theta energy: -33.383
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: 6
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -281.466999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.466999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.466999 (E_RNA)
where:
Base-Base interactions energy: -162.595
where: short stacking energy: -90.507
Base-Backbone interact. energy: -0.174
local terms energy: -118.697413
where:
bonds (distance) C4'-P energy: -22.696
bonds (distance) P-C4' energy: -27.542
flat angles C4'-P-C4' energy: -24.162
flat angles P-C4'-P energy: -18.513
tors. eta vs tors. theta energy: -25.784
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -268.630597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.630597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.759416 (E_RNA)
where:
Base-Base interactions energy: -166.070
where: short stacking energy: -84.622
Base-Backbone interact. energy: -0.244
local terms energy: -104.445606
where:
bonds (distance) C4'-P energy: -17.877
bonds (distance) P-C4' energy: -19.416
flat angles C4'-P-C4' energy: -21.626
flat angles P-C4'-P energy: -19.623
tors. eta vs tors. theta energy: -25.904
Dist. restrs. and SS energy: 2.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -269.409132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.409132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.741131 (E_RNA)
where:
Base-Base interactions energy: -162.950
where: short stacking energy: -92.760
Base-Backbone interact. energy: -0.053
local terms energy: -106.738148
where:
bonds (distance) C4'-P energy: -19.847
bonds (distance) P-C4' energy: -18.198
flat angles C4'-P-C4' energy: -22.185
flat angles P-C4'-P energy: -18.855
tors. eta vs tors. theta energy: -27.654
Dist. restrs. and SS energy: 0.332 (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: 3
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -239.713127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.713127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.759671 (E_RNA)
where:
Base-Base interactions energy: -139.042
where: short stacking energy: -65.227
Base-Backbone interact. energy: -0.817
local terms energy: -99.900319
where:
bonds (distance) C4'-P energy: -23.800
bonds (distance) P-C4' energy: -23.929
flat angles C4'-P-C4' energy: -18.414
flat angles P-C4'-P energy: -15.423
tors. eta vs tors. theta energy: -18.334
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: 1
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -245.348080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.348080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.777337 (E_RNA)
where:
Base-Base interactions energy: -157.327
where: short stacking energy: -83.821
Base-Backbone interact. energy: -0.183
local terms energy: -89.267297
where:
bonds (distance) C4'-P energy: -19.355
bonds (distance) P-C4' energy: -18.089
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -16.698
tors. eta vs tors. theta energy: -18.858
Dist. restrs. and SS energy: 1.429 (S_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: 208
Temperature: 1.200000
Total energy: -227.539034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.539034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.578457 (E_RNA)
where:
Base-Base interactions energy: -136.094
where: short stacking energy: -69.260
Base-Backbone interact. energy: -0.172
local terms energy: -91.312806
where:
bonds (distance) C4'-P energy: -23.503
bonds (distance) P-C4' energy: -17.750
flat angles C4'-P-C4' energy: -20.016
flat angles P-C4'-P energy: -13.258
tors. eta vs tors. theta energy: -16.785
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -218.777770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.777770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.850404 (E_RNA)
where:
Base-Base interactions energy: -135.266
where: short stacking energy: -75.105
Base-Backbone interact. energy: 0.561
local terms energy: -84.144862
where:
bonds (distance) C4'-P energy: -21.499
bonds (distance) P-C4' energy: -19.614
flat angles C4'-P-C4' energy: -19.318
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: -14.364
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -213.254746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.254746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.256584 (E_RNA)
where:
Base-Base interactions energy: -130.296
where: short stacking energy: -62.612
Base-Backbone interact. energy: -0.042
local terms energy: -82.919085
where:
bonds (distance) C4'-P energy: -17.433
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -19.133
flat angles P-C4'-P energy: -14.829
tors. eta vs tors. theta energy: -16.492
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: 9
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -230.669740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.669740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.269769 (E_RNA)
where:
Base-Base interactions energy: -139.414
where: short stacking energy: -69.811
Base-Backbone interact. energy: 0.595
local terms energy: -92.450067
where:
bonds (distance) C4'-P energy: -17.153
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -20.447
flat angles P-C4'-P energy: -16.264
tors. eta vs tors. theta energy: -19.970
Dist. restrs. and SS energy: 0.600 (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: 7
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -310.195930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.195930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.195930 (E_RNA)
where:
Base-Base interactions energy: -186.311
where: short stacking energy: -113.818
Base-Backbone interact. energy: -0.004
local terms energy: -123.880739
where:
bonds (distance) C4'-P energy: -21.721
bonds (distance) P-C4' energy: -25.282
flat angles C4'-P-C4' energy: -22.752
flat angles P-C4'-P energy: -19.428
tors. eta vs tors. theta energy: -34.697
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -280.865280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.865280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.865280 (E_RNA)
where:
Base-Base interactions energy: -173.253
where: short stacking energy: -97.642
Base-Backbone interact. energy: -0.094
local terms energy: -107.518901
where:
bonds (distance) C4'-P energy: -18.642
bonds (distance) P-C4' energy: -25.096
flat angles C4'-P-C4' energy: -23.122
flat angles P-C4'-P energy: -18.111
tors. eta vs tors. theta energy: -22.548
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -273.210917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.210917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.210917 (E_RNA)
where:
Base-Base interactions energy: -160.510
where: short stacking energy: -95.330
Base-Backbone interact. energy: -0.207
local terms energy: -112.493102
where:
bonds (distance) C4'-P energy: -21.118
bonds (distance) P-C4' energy: -23.779
flat angles C4'-P-C4' energy: -26.652
flat angles P-C4'-P energy: -17.760
tors. eta vs tors. theta energy: -23.184
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -251.875939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.875939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.911716 (E_RNA)
where:
Base-Base interactions energy: -153.812
where: short stacking energy: -89.363
Base-Backbone interact. energy: -0.764
local terms energy: -97.335440
where:
bonds (distance) C4'-P energy: -17.914
bonds (distance) P-C4' energy: -20.461
flat angles C4'-P-C4' energy: -21.645
flat angles P-C4'-P energy: -17.711
tors. eta vs tors. theta energy: -19.604
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: 8
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -256.740366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.740366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.752675 (E_RNA)
where:
Base-Base interactions energy: -158.372
where: short stacking energy: -79.954
Base-Backbone interact. energy: -0.296
local terms energy: -98.084973
where:
bonds (distance) C4'-P energy: -23.043
bonds (distance) P-C4' energy: -19.303
flat angles C4'-P-C4' energy: -22.887
flat angles P-C4'-P energy: -15.565
tors. eta vs tors. theta energy: -17.288
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: 209
Temperature: 1.150000
Total energy: -249.353904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.353904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.408983 (E_RNA)
where:
Base-Base interactions energy: -150.759
where: short stacking energy: -83.532
Base-Backbone interact. energy: -0.210
local terms energy: -98.439957
where:
bonds (distance) C4'-P energy: -20.479
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -20.269
flat angles P-C4'-P energy: -18.119
tors. eta vs tors. theta energy: -21.817
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: 209
Temperature: 1.200000
Total energy: -214.082259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.082259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.192446 (E_RNA)
where:
Base-Base interactions energy: -138.053
where: short stacking energy: -70.646
Base-Backbone interact. energy: 0.830
local terms energy: -76.969119
where:
bonds (distance) C4'-P energy: -16.880
bonds (distance) P-C4' energy: -23.023
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -12.665
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: 10
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -220.422469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.422469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.482498 (E_RNA)
where:
Base-Base interactions energy: -127.606
where: short stacking energy: -68.690
Base-Backbone interact. energy: -0.003
local terms energy: -92.873013
where:
bonds (distance) C4'-P energy: -19.466
bonds (distance) P-C4' energy: -21.179
flat angles C4'-P-C4' energy: -16.833
flat angles P-C4'-P energy: -18.426
tors. eta vs tors. theta energy: -16.969
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -210.268360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.268360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.468989 (E_RNA)
where:
Base-Base interactions energy: -131.654
where: short stacking energy: -73.494
Base-Backbone interact. energy: -0.272
local terms energy: -78.543546
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -21.092
flat angles P-C4'-P energy: -15.183
tors. eta vs tors. theta energy: -15.828
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: 10, replica: 9
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -201.720122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.720122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.770079 (E_RNA)
where:
Base-Base interactions energy: -120.032
where: short stacking energy: -50.928
Base-Backbone interact. energy: 1.429
local terms energy: -83.166709
where:
bonds (distance) C4'-P energy: -20.726
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -22.015
flat angles P-C4'-P energy: -14.581
tors. eta vs tors. theta energy: -11.097
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: 7
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -308.328436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.328436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.328436 (E_RNA)
where:
Base-Base interactions energy: -190.262
where: short stacking energy: -116.606
Base-Backbone interact. energy: -0.060
local terms energy: -118.006643
where:
bonds (distance) C4'-P energy: -20.562
bonds (distance) P-C4' energy: -20.784
flat angles C4'-P-C4' energy: -24.032
flat angles P-C4'-P energy: -18.567
tors. eta vs tors. theta energy: -34.061
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: 210
Temperature: 0.950000
Total energy: -279.143826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.143826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.408764 (E_RNA)
where:
Base-Base interactions energy: -163.184
where: short stacking energy: -98.988
Base-Backbone interact. energy: -0.266
local terms energy: -115.959009
where:
bonds (distance) C4'-P energy: -20.571
bonds (distance) P-C4' energy: -23.592
flat angles C4'-P-C4' energy: -24.590
flat angles P-C4'-P energy: -19.305
tors. eta vs tors. theta energy: -27.901
Dist. restrs. and SS energy: 0.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -266.109574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.109574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.147450 (E_RNA)
where:
Base-Base interactions energy: -168.952
where: short stacking energy: -83.587
Base-Backbone interact. energy: -0.128
local terms energy: -97.066814
where:
bonds (distance) C4'-P energy: -20.715
bonds (distance) P-C4' energy: -22.230
flat angles C4'-P-C4' energy: -18.156
flat angles P-C4'-P energy: -13.593
tors. eta vs tors. theta energy: -22.373
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -254.785655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.785655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.804317 (E_RNA)
where:
Base-Base interactions energy: -161.156
where: short stacking energy: -93.107
Base-Backbone interact. energy: -0.008
local terms energy: -93.639705
where:
bonds (distance) C4'-P energy: -17.913
bonds (distance) P-C4' energy: -19.561
flat angles C4'-P-C4' energy: -22.585
flat angles P-C4'-P energy: -14.352
tors. eta vs tors. theta energy: -19.229
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: 210
Temperature: 1.100000
Total energy: -266.307145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.307145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.999914 (E_RNA)
where:
Base-Base interactions energy: -172.172
where: short stacking energy: -85.974
Base-Backbone interact. energy: 0.252
local terms energy: -96.079039
where:
bonds (distance) C4'-P energy: -22.025
bonds (distance) P-C4' energy: -23.818
flat angles C4'-P-C4' energy: -22.287
flat angles P-C4'-P energy: -7.110
tors. eta vs tors. theta energy: -20.838
Dist. restrs. and SS energy: 1.693 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -251.021206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.021206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.141228 (E_RNA)
where:
Base-Base interactions energy: -153.852
where: short stacking energy: -96.249
Base-Backbone interact. energy: -0.010
local terms energy: -97.278797
where:
bonds (distance) C4'-P energy: -19.012
bonds (distance) P-C4' energy: -21.555
flat angles C4'-P-C4' energy: -21.615
flat angles P-C4'-P energy: -6.990
tors. eta vs tors. theta energy: -28.106
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: 10
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -235.204954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.204954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.229699 (E_RNA)
where:
Base-Base interactions energy: -146.773
where: short stacking energy: -70.565
Base-Backbone interact. energy: 0.740
local terms energy: -89.196457
where:
bonds (distance) C4'-P energy: -19.440
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -22.296
flat angles P-C4'-P energy: -14.576
tors. eta vs tors. theta energy: -18.561
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: 1
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -221.182416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.182416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.204287 (E_RNA)
where:
Base-Base interactions energy: -140.837
where: short stacking energy: -80.232
Base-Backbone interact. energy: -0.283
local terms energy: -80.084196
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -18.130
flat angles P-C4'-P energy: -13.799
tors. eta vs tors. theta energy: -16.895
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: 9
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -210.051889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.051889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.522282 (E_RNA)
where:
Base-Base interactions energy: -132.494
where: short stacking energy: -65.754
Base-Backbone interact. energy: 0.500
local terms energy: -79.527679
where:
bonds (distance) C4'-P energy: -19.449
bonds (distance) P-C4' energy: -22.107
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -11.421
tors. eta vs tors. theta energy: -13.702
Dist. restrs. and SS energy: 1.470 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -206.323915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.323915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.698194 (E_RNA)
where:
Base-Base interactions energy: -127.180
where: short stacking energy: -67.779
Base-Backbone interact. energy: -0.789
local terms energy: -78.729310
where:
bonds (distance) C4'-P energy: -17.209
bonds (distance) P-C4' energy: -18.698
flat angles C4'-P-C4' energy: -23.044
flat angles P-C4'-P energy: -7.471
tors. eta vs tors. theta energy: -12.308
Dist. restrs. and SS energy: 0.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -303.515186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.515186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.671997 (E_RNA)
where:
Base-Base interactions energy: -185.170
where: short stacking energy: -108.123
Base-Backbone interact. energy: -0.133
local terms energy: -118.369159
where:
bonds (distance) C4'-P energy: -23.126
bonds (distance) P-C4' energy: -23.148
flat angles C4'-P-C4' energy: -24.370
flat angles P-C4'-P energy: -14.177
tors. eta vs tors. theta energy: -33.548
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: 2, replica: 6
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -278.497692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.497692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.677450 (E_RNA)
where:
Base-Base interactions energy: -176.991
where: short stacking energy: -99.766
Base-Backbone interact. energy: -0.106
local terms energy: -101.580816
where:
bonds (distance) C4'-P energy: -22.506
bonds (distance) P-C4' energy: -18.934
flat angles C4'-P-C4' energy: -18.398
flat angles P-C4'-P energy: -16.978
tors. eta vs tors. theta energy: -24.764
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: 3, replica: 4
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -283.448174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.448174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.503163 (E_RNA)
where:
Base-Base interactions energy: -173.476
where: short stacking energy: -98.784
Base-Backbone interact. energy: -0.011
local terms energy: -110.016142
where:
bonds (distance) C4'-P energy: -18.228
bonds (distance) P-C4' energy: -24.074
flat angles C4'-P-C4' energy: -23.506
flat angles P-C4'-P energy: -16.152
tors. eta vs tors. theta energy: -28.056
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -248.745566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.745566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.054833 (E_RNA)
where:
Base-Base interactions energy: -150.987
where: short stacking energy: -88.162
Base-Backbone interact. energy: -0.259
local terms energy: -97.808674
where:
bonds (distance) C4'-P energy: -19.425
bonds (distance) P-C4' energy: -18.234
flat angles C4'-P-C4' energy: -21.568
flat angles P-C4'-P energy: -16.361
tors. eta vs tors. theta energy: -22.220
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: 5, replica: 2
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -254.546850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.546850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.290183 (E_RNA)
where:
Base-Base interactions energy: -168.124
where: short stacking energy: -80.738
Base-Backbone interact. energy: -0.085
local terms energy: -89.081384
where:
bonds (distance) C4'-P energy: -19.772
bonds (distance) P-C4' energy: -18.884
flat angles C4'-P-C4' energy: -20.863
flat angles P-C4'-P energy: -7.831
tors. eta vs tors. theta energy: -21.732
Dist. restrs. and SS energy: 2.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -239.823780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.823780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.102149 (E_RNA)
where:
Base-Base interactions energy: -142.919
where: short stacking energy: -86.883
Base-Backbone interact. energy: 0.356
local terms energy: -97.539098
where:
bonds (distance) C4'-P energy: -21.595
bonds (distance) P-C4' energy: -20.035
flat angles C4'-P-C4' energy: -18.652
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -24.978
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: 7, replica: 8
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -241.981909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.981909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.097654 (E_RNA)
where:
Base-Base interactions energy: -149.378
where: short stacking energy: -77.261
Base-Backbone interact. energy: -0.008
local terms energy: -92.712505
where:
bonds (distance) C4'-P energy: -17.254
bonds (distance) P-C4' energy: -20.137
flat angles C4'-P-C4' energy: -22.084
flat angles P-C4'-P energy: -16.402
tors. eta vs tors. theta energy: -16.837
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: 1
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -210.450639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.450639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.477592 (E_RNA)
where:
Base-Base interactions energy: -124.275
where: short stacking energy: -53.176
Base-Backbone interact. energy: -2.111
local terms energy: -84.092331
where:
bonds (distance) C4'-P energy: -20.062
bonds (distance) P-C4' energy: -20.373
flat angles C4'-P-C4' energy: -19.647
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -11.797
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: 9
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -212.596183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.596183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.663218 (E_RNA)
where:
Base-Base interactions energy: -133.828
where: short stacking energy: -71.496
Base-Backbone interact. energy: -0.107
local terms energy: -78.727553
where:
bonds (distance) C4'-P energy: -15.847
bonds (distance) P-C4' energy: -18.507
flat angles C4'-P-C4' energy: -18.139
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: -14.364
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: 211
Temperature: 1.350000
Total energy: -196.264144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.264144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.691635 (E_RNA)
where:
Base-Base interactions energy: -122.258
where: short stacking energy: -55.510
Base-Backbone interact. energy: -0.358
local terms energy: -75.075426
where:
bonds (distance) C4'-P energy: -22.129
bonds (distance) P-C4' energy: -19.362
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -7.428
Dist. restrs. and SS energy: 1.427 (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: 212
Temperature: 0.900000
Total energy: -292.596791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.596791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.602172 (E_RNA)
where:
Base-Base interactions energy: -180.006
where: short stacking energy: -94.533
Base-Backbone interact. energy: -0.374
local terms energy: -112.221905
where:
bonds (distance) C4'-P energy: -19.219
bonds (distance) P-C4' energy: -24.973
flat angles C4'-P-C4' energy: -23.354
flat angles P-C4'-P energy: -15.356
tors. eta vs tors. theta energy: -29.321
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -299.262869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.262869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.377954 (E_RNA)
where:
Base-Base interactions energy: -191.056
where: short stacking energy: -99.347
Base-Backbone interact. energy: -0.048
local terms energy: -110.273969
where:
bonds (distance) C4'-P energy: -20.992
bonds (distance) P-C4' energy: -22.213
flat angles C4'-P-C4' energy: -24.249
flat angles P-C4'-P energy: -12.955
tors. eta vs tors. theta energy: -29.865
Dist. restrs. and SS energy: 2.115 (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: 3
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -269.851746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.851746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.041127 (E_RNA)
where:
Base-Base interactions energy: -166.126
where: short stacking energy: -92.740
Base-Backbone interact. energy: -0.165
local terms energy: -103.749989
where:
bonds (distance) C4'-P energy: -18.281
bonds (distance) P-C4' energy: -24.508
flat angles C4'-P-C4' energy: -23.979
flat angles P-C4'-P energy: -13.442
tors. eta vs tors. theta energy: -23.540
Dist. restrs. and SS energy: 0.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -276.931745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.931745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.058714 (E_RNA)
where:
Base-Base interactions energy: -170.114
where: short stacking energy: -88.950
Base-Backbone interact. energy: -0.104
local terms energy: -107.840182
where:
bonds (distance) C4'-P energy: -21.515
bonds (distance) P-C4' energy: -19.965
flat angles C4'-P-C4' energy: -21.165
flat angles P-C4'-P energy: -18.430
tors. eta vs tors. theta energy: -26.765
Dist. restrs. and SS energy: 1.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -246.356428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.356428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.392301 (E_RNA)
where:
Base-Base interactions energy: -143.813
where: short stacking energy: -75.855
Base-Backbone interact. energy: -0.277
local terms energy: -102.301671
where:
bonds (distance) C4'-P energy: -20.430
bonds (distance) P-C4' energy: -20.018
flat angles C4'-P-C4' energy: -21.951
flat angles P-C4'-P energy: -19.702
tors. eta vs tors. theta energy: -20.200
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: 10
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -229.886287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.886287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.911425 (E_RNA)
where:
Base-Base interactions energy: -135.367
where: short stacking energy: -70.460
Base-Backbone interact. energy: -0.064
local terms energy: -94.481182
where:
bonds (distance) C4'-P energy: -21.834
bonds (distance) P-C4' energy: -21.712
flat angles C4'-P-C4' energy: -20.520
flat angles P-C4'-P energy: -14.982
tors. eta vs tors. theta energy: -15.433
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: 1
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -226.301604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.301604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.487799 (E_RNA)
where:
Base-Base interactions energy: -144.303
where: short stacking energy: -68.977
Base-Backbone interact. energy: -0.224
local terms energy: -82.960871
where:
bonds (distance) C4'-P energy: -22.563
bonds (distance) P-C4' energy: -18.613
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -15.293
Dist. restrs. and SS energy: 1.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -230.283059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.283059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.390854 (E_RNA)
where:
Base-Base interactions energy: -142.913
where: short stacking energy: -79.325
Base-Backbone interact. energy: -0.011
local terms energy: -87.466907
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -23.356
flat angles C4'-P-C4' energy: -21.975
flat angles P-C4'-P energy: -14.641
tors. eta vs tors. theta energy: -15.761
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -215.103804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.103804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.135698 (E_RNA)
where:
Base-Base interactions energy: -139.318
where: short stacking energy: -67.042
Base-Backbone interact. energy: 0.029
local terms energy: -75.846435
where:
bonds (distance) C4'-P energy: -16.386
bonds (distance) P-C4' energy: -19.688
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -12.390
tors. eta vs tors. theta energy: -13.022
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: 9
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -209.178499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.178499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.589007 (E_RNA)
where:
Base-Base interactions energy: -122.146
where: short stacking energy: -62.494
Base-Backbone interact. energy: 1.781
local terms energy: -89.223885
where:
bonds (distance) C4'-P energy: -23.274
bonds (distance) P-C4' energy: -19.786
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -13.948
tors. eta vs tors. theta energy: -18.955
Dist. restrs. and SS energy: 0.411 (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: 6
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -285.942277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.942277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.985085 (E_RNA)
where:
Base-Base interactions energy: -171.026
where: short stacking energy: -99.852
Base-Backbone interact. energy: -0.171
local terms energy: -114.788051
where:
bonds (distance) C4'-P energy: -23.300
bonds (distance) P-C4' energy: -23.235
flat angles C4'-P-C4' energy: -22.578
flat angles P-C4'-P energy: -21.017
tors. eta vs tors. theta energy: -24.659
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -292.326899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.326899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.331357 (E_RNA)
where:
Base-Base interactions energy: -178.159
where: short stacking energy: -104.013
Base-Backbone interact. energy: -1.924
local terms energy: -112.248610
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -26.248
flat angles P-C4'-P energy: -15.096
tors. eta vs tors. theta energy: -29.898
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: 3
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -266.942179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.942179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.054378 (E_RNA)
where:
Base-Base interactions energy: -156.334
where: short stacking energy: -84.059
Base-Backbone interact. energy: -0.440
local terms energy: -110.280086
where:
bonds (distance) C4'-P energy: -26.294
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -22.179
flat angles P-C4'-P energy: -15.609
tors. eta vs tors. theta energy: -28.527
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: 4, replica: 4
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -269.736328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.736328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.760537 (E_RNA)
where:
Base-Base interactions energy: -161.347
where: short stacking energy: -94.547
Base-Backbone interact. energy: 0.326
local terms energy: -108.739562
where:
bonds (distance) C4'-P energy: -21.786
bonds (distance) P-C4' energy: -23.941
flat angles C4'-P-C4' energy: -24.981
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -26.002
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: 213
Temperature: 1.100000
Total energy: -234.466880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.466880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.573879 (E_RNA)
where:
Base-Base interactions energy: -141.066
where: short stacking energy: -72.349
Base-Backbone interact. energy: -0.063
local terms energy: -93.445139
where:
bonds (distance) C4'-P energy: -20.402
bonds (distance) P-C4' energy: -19.456
flat angles C4'-P-C4' energy: -22.022
flat angles P-C4'-P energy: -16.341
tors. eta vs tors. theta energy: -15.224
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: 1
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -254.638262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.638262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.866256 (E_RNA)
where:
Base-Base interactions energy: -162.940
where: short stacking energy: -83.257
Base-Backbone interact. energy: -0.152
local terms energy: -93.774332
where:
bonds (distance) C4'-P energy: -19.317
bonds (distance) P-C4' energy: -16.764
flat angles C4'-P-C4' energy: -19.034
flat angles P-C4'-P energy: -15.181
tors. eta vs tors. theta energy: -23.478
Dist. restrs. and SS energy: 2.228 (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: 10
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -239.810197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.810197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.981444 (E_RNA)
where:
Base-Base interactions energy: -147.304
where: short stacking energy: -88.054
Base-Backbone interact. energy: -0.129
local terms energy: -92.548783
where:
bonds (distance) C4'-P energy: -20.335
bonds (distance) P-C4' energy: -16.745
flat angles C4'-P-C4' energy: -18.974
flat angles P-C4'-P energy: -14.279
tors. eta vs tors. theta energy: -22.216
Dist. restrs. and SS energy: 0.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -211.858333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.858333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.262998 (E_RNA)
where:
Base-Base interactions energy: -113.383
where: short stacking energy: -53.211
Base-Backbone interact. energy: -0.440
local terms energy: -98.439833
where:
bonds (distance) C4'-P energy: -22.927
bonds (distance) P-C4' energy: -22.358
flat angles C4'-P-C4' energy: -20.979
flat angles P-C4'-P energy: -16.943
tors. eta vs tors. theta energy: -15.233
Dist. restrs. and SS energy: 0.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -229.367909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.367909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.567005 (E_RNA)
where:
Base-Base interactions energy: -129.236
where: short stacking energy: -69.724
Base-Backbone interact. energy: -0.138
local terms energy: -100.193095
where:
bonds (distance) C4'-P energy: -24.347
bonds (distance) P-C4' energy: -18.226
flat angles C4'-P-C4' energy: -24.653
flat angles P-C4'-P energy: -13.447
tors. eta vs tors. theta energy: -19.520
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: 10, replica: 9
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -199.453817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.453817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.566666 (E_RNA)
where:
Base-Base interactions energy: -132.014
where: short stacking energy: -61.698
Base-Backbone interact. energy: -1.251
local terms energy: -66.302361
where:
bonds (distance) C4'-P energy: -9.857
bonds (distance) P-C4' energy: -15.076
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -12.874
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: 1, replica: 7
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -302.262726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.262726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.396865 (E_RNA)
where:
Base-Base interactions energy: -184.506
where: short stacking energy: -110.587
Base-Backbone interact. energy: -0.056
local terms energy: -117.835656
where:
bonds (distance) C4'-P energy: -23.618
bonds (distance) P-C4' energy: -20.679
flat angles C4'-P-C4' energy: -25.290
flat angles P-C4'-P energy: -16.139
tors. eta vs tors. theta energy: -32.110
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: 6
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -291.571193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.571193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.753696 (E_RNA)
where:
Base-Base interactions energy: -180.017
where: short stacking energy: -110.875
Base-Backbone interact. energy: -0.022
local terms energy: -111.713880
where:
bonds (distance) C4'-P energy: -22.036
bonds (distance) P-C4' energy: -23.160
flat angles C4'-P-C4' energy: -21.817
flat angles P-C4'-P energy: -14.655
tors. eta vs tors. theta energy: -30.046
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: 3, replica: 3
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -264.144686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.144686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.234529 (E_RNA)
where:
Base-Base interactions energy: -158.810
where: short stacking energy: -84.434
Base-Backbone interact. energy: -0.474
local terms energy: -104.950961
where:
bonds (distance) C4'-P energy: -19.604
bonds (distance) P-C4' energy: -23.367
flat angles C4'-P-C4' energy: -20.919
flat angles P-C4'-P energy: -20.867
tors. eta vs tors. theta energy: -20.193
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: 4
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -261.191813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.191813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.962560 (E_RNA)
where:
Base-Base interactions energy: -159.143
where: short stacking energy: -83.709
Base-Backbone interact. energy: -0.033
local terms energy: -102.787234
where:
bonds (distance) C4'-P energy: -18.247
bonds (distance) P-C4' energy: -23.296
flat angles C4'-P-C4' energy: -21.335
flat angles P-C4'-P energy: -16.675
tors. eta vs tors. theta energy: -23.234
Dist. restrs. and SS energy: 0.771 (S_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: 214
Temperature: 1.100000
Total energy: -237.364906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.364906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.364906 (E_RNA)
where:
Base-Base interactions energy: -139.514
where: short stacking energy: -74.364
Base-Backbone interact. energy: 0.126
local terms energy: -97.976590
where:
bonds (distance) C4'-P energy: -20.385
bonds (distance) P-C4' energy: -20.958
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -16.592
tors. eta vs tors. theta energy: -22.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -242.835248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.835248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.842416 (E_RNA)
where:
Base-Base interactions energy: -145.454
where: short stacking energy: -81.442
Base-Backbone interact. energy: -0.203
local terms energy: -97.184763
where:
bonds (distance) C4'-P energy: -15.654
bonds (distance) P-C4' energy: -20.687
flat angles C4'-P-C4' energy: -23.929
flat angles P-C4'-P energy: -17.421
tors. eta vs tors. theta energy: -19.495
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: 5
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -219.299792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.299792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.389708 (E_RNA)
where:
Base-Base interactions energy: -126.344
where: short stacking energy: -66.791
Base-Backbone interact. energy: -0.295
local terms energy: -92.751113
where:
bonds (distance) C4'-P energy: -19.658
bonds (distance) P-C4' energy: -25.268
flat angles C4'-P-C4' energy: -20.062
flat angles P-C4'-P energy: -14.130
tors. eta vs tors. theta energy: -13.634
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: 10
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -212.183262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.183262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.396515 (E_RNA)
where:
Base-Base interactions energy: -129.754
where: short stacking energy: -68.327
Base-Backbone interact. energy: -0.165
local terms energy: -82.476938
where:
bonds (distance) C4'-P energy: -18.887
bonds (distance) P-C4' energy: -21.719
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -14.062
tors. eta vs tors. theta energy: -11.815
Dist. restrs. and SS energy: 0.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -222.111663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.111663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.526214 (E_RNA)
where:
Base-Base interactions energy: -138.192
where: short stacking energy: -71.856
Base-Backbone interact. energy: -0.121
local terms energy: -86.213083
where:
bonds (distance) C4'-P energy: -13.898
bonds (distance) P-C4' energy: -17.324
flat angles C4'-P-C4' energy: -21.852
flat angles P-C4'-P energy: -13.395
tors. eta vs tors. theta energy: -19.745
Dist. restrs. and SS energy: 2.415 (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: 9
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -198.889157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.889157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.076085 (E_RNA)
where:
Base-Base interactions energy: -124.225
where: short stacking energy: -53.601
Base-Backbone interact. energy: -0.263
local terms energy: -74.588555
where:
bonds (distance) C4'-P energy: -19.573
bonds (distance) P-C4' energy: -19.603
flat angles C4'-P-C4' energy: -16.337
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -9.746
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: 1, replica: 7
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -302.141047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.141047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.457343 (E_RNA)
where:
Base-Base interactions energy: -183.634
where: short stacking energy: -107.560
Base-Backbone interact. energy: -0.152
local terms energy: -118.671209
where:
bonds (distance) C4'-P energy: -22.749
bonds (distance) P-C4' energy: -19.791
flat angles C4'-P-C4' energy: -27.099
flat angles P-C4'-P energy: -16.330
tors. eta vs tors. theta energy: -32.703
Dist. restrs. and SS energy: 0.316 (S_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: 215
Temperature: 0.950000
Total energy: -287.728694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.728694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.280421 (E_RNA)
where:
Base-Base interactions energy: -184.214
where: short stacking energy: -108.358
Base-Backbone interact. energy: -0.026
local terms energy: -104.040138
where:
bonds (distance) C4'-P energy: -18.575
bonds (distance) P-C4' energy: -21.917
flat angles C4'-P-C4' energy: -20.474
flat angles P-C4'-P energy: -14.409
tors. eta vs tors. theta energy: -28.665
Dist. restrs. and SS energy: 0.552 (S_DIST_RNA)
chem. 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: -274.924141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.924141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.045108 (E_RNA)
where:
Base-Base interactions energy: -163.520
where: short stacking energy: -90.696
Base-Backbone interact. energy: -0.106
local terms energy: -111.418760
where:
bonds (distance) C4'-P energy: -22.417
bonds (distance) P-C4' energy: -23.543
flat angles C4'-P-C4' energy: -21.655
flat angles P-C4'-P energy: -17.521
tors. eta vs tors. theta energy: -26.283
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: 2
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -252.644473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.644473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.916465 (E_RNA)
where:
Base-Base interactions energy: -148.466
where: short stacking energy: -83.524
Base-Backbone interact. energy: -0.268
local terms energy: -104.182314
where:
bonds (distance) C4'-P energy: -20.712
bonds (distance) P-C4' energy: -17.395
flat angles C4'-P-C4' energy: -26.631
flat angles P-C4'-P energy: -15.794
tors. eta vs tors. theta energy: -23.651
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: 5, replica: 4
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -261.778960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.778960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.862939 (E_RNA)
where:
Base-Base interactions energy: -171.400
where: short stacking energy: -84.796
Base-Backbone interact. energy: 0.046
local terms energy: -92.509026
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -23.308
flat angles C4'-P-C4' energy: -24.795
flat angles P-C4'-P energy: -11.132
tors. eta vs tors. theta energy: -21.933
Dist. restrs. and SS energy: 2.084 (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: 215
Temperature: 1.150000
Total energy: -235.673970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.673970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.794159 (E_RNA)
where:
Base-Base interactions energy: -136.303
where: short stacking energy: -72.676
Base-Backbone interact. energy: -0.212
local terms energy: -99.279586
where:
bonds (distance) C4'-P energy: -16.536
bonds (distance) P-C4' energy: -23.344
flat angles C4'-P-C4' energy: -20.684
flat angles P-C4'-P energy: -16.941
tors. eta vs tors. theta energy: -21.774
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: 5
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -232.713923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.713923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.841498 (E_RNA)
where:
Base-Base interactions energy: -138.373
where: short stacking energy: -72.031
Base-Backbone interact. energy: -0.127
local terms energy: -94.340999
where:
bonds (distance) C4'-P energy: -20.962
bonds (distance) P-C4' energy: -22.260
flat angles C4'-P-C4' energy: -19.545
flat angles P-C4'-P energy: -13.135
tors. eta vs tors. theta energy: -18.439
Dist. restrs. and SS energy: 0.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -212.412551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.412551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.429836 (E_RNA)
where:
Base-Base interactions energy: -123.900
where: short stacking energy: -58.900
Base-Backbone interact. energy: -0.419
local terms energy: -88.110765
where:
bonds (distance) C4'-P energy: -16.764
bonds (distance) P-C4' energy: -21.979
flat angles C4'-P-C4' energy: -23.171
flat angles P-C4'-P energy: -16.312
tors. eta vs tors. theta energy: -9.886
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: 9, replica: 8
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -195.985126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.985126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.566063 (E_RNA)
where:
Base-Base interactions energy: -121.515
where: short stacking energy: -55.671
Base-Backbone interact. energy: -0.170
local terms energy: -74.880635
where:
bonds (distance) C4'-P energy: -14.846
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -19.546
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -10.346
Dist. restrs. and SS energy: 0.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -208.687968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.687968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.712422 (E_RNA)
where:
Base-Base interactions energy: -134.001
where: short stacking energy: -69.513
Base-Backbone interact. energy: 1.767
local terms energy: -76.477786
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -14.926
tors. eta vs tors. theta energy: -16.197
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: 6
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -303.737508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.737508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.761545 (E_RNA)
where:
Base-Base interactions energy: -181.989
where: short stacking energy: -99.720
Base-Backbone interact. energy: -0.045
local terms energy: -121.728025
where:
bonds (distance) C4'-P energy: -25.718
bonds (distance) P-C4' energy: -24.607
flat angles C4'-P-C4' energy: -22.193
flat angles P-C4'-P energy: -16.449
tors. eta vs tors. theta energy: -32.761
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: 216
Temperature: 0.950000
Total energy: -288.589375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.589375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.735477 (E_RNA)
where:
Base-Base interactions energy: -172.964
where: short stacking energy: -94.706
Base-Backbone interact. energy: -0.479
local terms energy: -115.292256
where:
bonds (distance) C4'-P energy: -22.134
bonds (distance) P-C4' energy: -25.864
flat angles C4'-P-C4' energy: -21.428
flat angles P-C4'-P energy: -17.219
tors. eta vs tors. theta energy: -28.648
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: 3
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -285.303880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.303880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.425789 (E_RNA)
where:
Base-Base interactions energy: -174.937
where: short stacking energy: -90.257
Base-Backbone interact. energy: -0.102
local terms energy: -110.385953
where:
bonds (distance) C4'-P energy: -24.426
bonds (distance) P-C4' energy: -21.204
flat angles C4'-P-C4' energy: -21.032
flat angles P-C4'-P energy: -15.934
tors. eta vs tors. theta energy: -27.790
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: 2
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -262.001882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.001882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.030385 (E_RNA)
where:
Base-Base interactions energy: -152.933
where: short stacking energy: -88.525
Base-Backbone interact. energy: -0.124
local terms energy: -108.973197
where:
bonds (distance) C4'-P energy: -20.862
bonds (distance) P-C4' energy: -21.781
flat angles C4'-P-C4' energy: -22.564
flat angles P-C4'-P energy: -16.370
tors. eta vs tors. theta energy: -27.396
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: 4
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -248.748147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.748147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.834791 (E_RNA)
where:
Base-Base interactions energy: -144.727
where: short stacking energy: -79.433
Base-Backbone interact. energy: -0.155
local terms energy: -103.952872
where:
bonds (distance) C4'-P energy: -23.717
bonds (distance) P-C4' energy: -21.398
flat angles C4'-P-C4' energy: -23.273
flat angles P-C4'-P energy: -17.235
tors. eta vs tors. theta energy: -18.329
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: 1
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -230.253628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.253628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.619800 (E_RNA)
where:
Base-Base interactions energy: -145.101
where: short stacking energy: -72.154
Base-Backbone interact. energy: -0.061
local terms energy: -86.457965
where:
bonds (distance) C4'-P energy: -18.063
bonds (distance) P-C4' energy: -24.553
flat angles C4'-P-C4' energy: -17.503
flat angles P-C4'-P energy: -13.637
tors. eta vs tors. theta energy: -12.702
Dist. restrs. and SS energy: 1.366 (S_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: 216
Temperature: 1.200000
Total energy: -216.474880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.474880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.498279 (E_RNA)
where:
Base-Base interactions energy: -138.089
where: short stacking energy: -72.517
Base-Backbone interact. energy: 2.003
local terms energy: -80.411974
where:
bonds (distance) C4'-P energy: -16.996
bonds (distance) P-C4' energy: -17.941
flat angles C4'-P-C4' energy: -22.227
flat angles P-C4'-P energy: -7.630
tors. eta vs tors. theta energy: -15.619
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -225.387126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.387126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.535429 (E_RNA)
where:
Base-Base interactions energy: -131.022
where: short stacking energy: -70.504
Base-Backbone interact. energy: -0.060
local terms energy: -94.453166
where:
bonds (distance) C4'-P energy: -16.141
bonds (distance) P-C4' energy: -20.138
flat angles C4'-P-C4' energy: -25.064
flat angles P-C4'-P energy: -15.605
tors. eta vs tors. theta energy: -17.504
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -215.675650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.675650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.881153 (E_RNA)
where:
Base-Base interactions energy: -137.376
where: short stacking energy: -71.642
Base-Backbone interact. energy: -0.224
local terms energy: -78.281411
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -10.768
flat angles C4'-P-C4' energy: -21.558
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -17.937
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: 8
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -213.391168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.391168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.443567 (E_RNA)
where:
Base-Base interactions energy: -115.389
where: short stacking energy: -57.681
Base-Backbone interact. energy: -0.654
local terms energy: -97.400136
where:
bonds (distance) C4'-P energy: -19.793
bonds (distance) P-C4' energy: -22.096
flat angles C4'-P-C4' energy: -22.334
flat angles P-C4'-P energy: -15.755
tors. eta vs tors. theta energy: -17.422
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: 217
Temperature: 0.900000
Total energy: -289.379810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.379810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.460337 (E_RNA)
where:
Base-Base interactions energy: -174.041
where: short stacking energy: -103.346
Base-Backbone interact. energy: -0.008
local terms energy: -115.411624
where:
bonds (distance) C4'-P energy: -21.151
bonds (distance) P-C4' energy: -23.398
flat angles C4'-P-C4' energy: -25.924
flat angles P-C4'-P energy: -17.050
tors. eta vs tors. theta energy: -27.888
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: 217
Temperature: 0.950000
Total energy: -293.146625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.146625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.220549 (E_RNA)
where:
Base-Base interactions energy: -178.588
where: short stacking energy: -104.128
Base-Backbone interact. energy: -0.233
local terms energy: -114.399837
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -20.099
flat angles C4'-P-C4' energy: -26.949
flat angles P-C4'-P energy: -20.131
tors. eta vs tors. theta energy: -30.771
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: 217
Temperature: 1.000000
Total energy: -299.227282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.227282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.296211 (E_RNA)
where:
Base-Base interactions energy: -180.304
where: short stacking energy: -96.164
Base-Backbone interact. energy: -0.004
local terms energy: -118.988721
where:
bonds (distance) C4'-P energy: -18.580
bonds (distance) P-C4' energy: -26.240
flat angles C4'-P-C4' energy: -23.610
flat angles P-C4'-P energy: -17.657
tors. eta vs tors. theta energy: -32.900
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: 217
Temperature: 1.050000
Total energy: -257.809472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.809472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.831294 (E_RNA)
where:
Base-Base interactions energy: -158.403
where: short stacking energy: -93.298
Base-Backbone interact. energy: -0.096
local terms energy: -99.331816
where:
bonds (distance) C4'-P energy: -22.504
bonds (distance) P-C4' energy: -18.638
flat angles C4'-P-C4' energy: -20.284
flat angles P-C4'-P energy: -15.078
tors. eta vs tors. theta energy: -22.828
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: 4
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -237.756942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.756942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.514156 (E_RNA)
where:
Base-Base interactions energy: -146.311
where: short stacking energy: -75.130
Base-Backbone interact. energy: -0.007
local terms energy: -92.196210
where:
bonds (distance) C4'-P energy: -23.319
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -18.700
flat angles P-C4'-P energy: -15.459
tors. eta vs tors. theta energy: -19.018
Dist. restrs. and SS energy: 0.757 (S_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: 217
Temperature: 1.150000
Total energy: -231.901747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.901747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.046983 (E_RNA)
where:
Base-Base interactions energy: -134.125
where: short stacking energy: -69.859
Base-Backbone interact. energy: -0.008
local terms energy: -97.914128
where:
bonds (distance) C4'-P energy: -19.582
bonds (distance) P-C4' energy: -21.882
flat angles C4'-P-C4' energy: -22.024
flat angles P-C4'-P energy: -16.518
tors. eta vs tors. theta energy: -17.909
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: 7, replica: 1
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -237.968628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.968628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.114876 (E_RNA)
where:
Base-Base interactions energy: -144.892
where: short stacking energy: -74.938
Base-Backbone interact. energy: -0.170
local terms energy: -93.053088
where:
bonds (distance) C4'-P energy: -21.408
bonds (distance) P-C4' energy: -21.414
flat angles C4'-P-C4' energy: -24.158
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: -16.196
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -220.548721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.548721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.555316 (E_RNA)
where:
Base-Base interactions energy: -128.723
where: short stacking energy: -62.862
Base-Backbone interact. energy: -0.479
local terms energy: -91.352956
where:
bonds (distance) C4'-P energy: -20.818
bonds (distance) P-C4' energy: -18.357
flat angles C4'-P-C4' energy: -22.333
flat angles P-C4'-P energy: -15.177
tors. eta vs tors. theta energy: -14.668
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: 5
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -216.841165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.841165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.955725 (E_RNA)
where:
Base-Base interactions energy: -127.271
where: short stacking energy: -64.359
Base-Backbone interact. energy: -0.234
local terms energy: -89.449984
where:
bonds (distance) C4'-P energy: -16.800
bonds (distance) P-C4' energy: -20.020
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -15.837
tors. eta vs tors. theta energy: -21.116
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: 217
Temperature: 1.350000
Total energy: -218.229268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.229268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.263519 (E_RNA)
where:
Base-Base interactions energy: -134.430
where: short stacking energy: -64.199
Base-Backbone interact. energy: -0.535
local terms energy: -83.297994
where:
bonds (distance) C4'-P energy: -16.548
bonds (distance) P-C4' energy: -23.713
flat angles C4'-P-C4' energy: -20.256
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -13.119
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -312.195831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.195831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.203589 (E_RNA)
where:
Base-Base interactions energy: -187.748
where: short stacking energy: -103.961
Base-Backbone interact. energy: 0.058
local terms energy: -124.514074
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -23.219
flat angles C4'-P-C4' energy: -26.818
flat angles P-C4'-P energy: -20.722
tors. eta vs tors. theta energy: -36.213
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -294.576498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.576498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.744128 (E_RNA)
where:
Base-Base interactions energy: -182.949
where: short stacking energy: -106.880
Base-Backbone interact. energy: -0.011
local terms energy: -111.784211
where:
bonds (distance) C4'-P energy: -18.503
bonds (distance) P-C4' energy: -24.036
flat angles C4'-P-C4' energy: -24.478
flat angles P-C4'-P energy: -15.145
tors. eta vs tors. theta energy: -29.621
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: 3, replica: 2
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -279.076776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.076776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.226648 (E_RNA)
where:
Base-Base interactions energy: -172.421
where: short stacking energy: -106.037
Base-Backbone interact. energy: -0.024
local terms energy: -106.781779
where:
bonds (distance) C4'-P energy: -17.511
bonds (distance) P-C4' energy: -21.622
flat angles C4'-P-C4' energy: -21.988
flat angles P-C4'-P energy: -15.613
tors. eta vs tors. theta energy: -30.048
Dist. restrs. and SS energy: 0.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -296.840802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.840802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.940927 (E_RNA)
where:
Base-Base interactions energy: -179.598
where: short stacking energy: -109.698
Base-Backbone interact. energy: -0.003
local terms energy: -117.339967
where:
bonds (distance) C4'-P energy: -23.168
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -25.626
flat angles P-C4'-P energy: -18.361
tors. eta vs tors. theta energy: -36.804
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: 10
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -248.010187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.010187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.037457 (E_RNA)
where:
Base-Base interactions energy: -155.359
where: short stacking energy: -84.756
Base-Backbone interact. energy: -0.005
local terms energy: -92.673984
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -20.640
flat angles C4'-P-C4' energy: -22.964
flat angles P-C4'-P energy: -13.946
tors. eta vs tors. theta energy: -22.656
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -238.211969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.211969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.482723 (E_RNA)
where:
Base-Base interactions energy: -137.123
where: short stacking energy: -75.386
Base-Backbone interact. energy: -0.302
local terms energy: -101.058173
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -21.843
flat angles C4'-P-C4' energy: -21.490
flat angles P-C4'-P energy: -21.562
tors. eta vs tors. theta energy: -22.393
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: 7, replica: 9
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -243.007189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.007189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.051025 (E_RNA)
where:
Base-Base interactions energy: -154.049
where: short stacking energy: -76.029
Base-Backbone interact. energy: -0.996
local terms energy: -88.005677
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -20.123
flat angles C4'-P-C4' energy: -20.824
flat angles P-C4'-P energy: -13.712
tors. eta vs tors. theta energy: -20.450
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: 1
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -210.222108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.222108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.233002 (E_RNA)
where:
Base-Base interactions energy: -133.368
where: short stacking energy: -64.917
Base-Backbone interact. energy: -0.429
local terms energy: -76.436429
where:
bonds (distance) C4'-P energy: -16.789
bonds (distance) P-C4' energy: -20.523
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -11.064
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: 8
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -198.122470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.122470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.141502 (E_RNA)
where:
Base-Base interactions energy: -122.358
where: short stacking energy: -54.061
Base-Backbone interact. energy: -0.129
local terms energy: -75.653926
where:
bonds (distance) C4'-P energy: -17.263
bonds (distance) P-C4' energy: -16.403
flat angles C4'-P-C4' energy: -22.460
flat angles P-C4'-P energy: -15.427
tors. eta vs tors. theta energy: -4.101
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -194.526693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.526693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.674989 (E_RNA)
where:
Base-Base interactions energy: -117.437
where: short stacking energy: -52.032
Base-Backbone interact. energy: -0.949
local terms energy: -76.289081
where:
bonds (distance) C4'-P energy: -15.947
bonds (distance) P-C4' energy: -19.974
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -13.454
tors. eta vs tors. theta energy: -10.077
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -302.844616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.844616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.138962 (E_RNA)
where:
Base-Base interactions energy: -191.465
where: short stacking energy: -104.926
Base-Backbone interact. energy: -0.139
local terms energy: -111.535035
where:
bonds (distance) C4'-P energy: -20.324
bonds (distance) P-C4' energy: -23.907
flat angles C4'-P-C4' energy: -23.109
flat angles P-C4'-P energy: -13.735
tors. eta vs tors. theta energy: -30.459
Dist. restrs. and SS energy: 0.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -306.409718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.409718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.435346 (E_RNA)
where:
Base-Base interactions energy: -178.393
where: short stacking energy: -104.170
Base-Backbone interact. energy: -0.092
local terms energy: -127.950039
where:
bonds (distance) C4'-P energy: -23.437
bonds (distance) P-C4' energy: -23.938
flat angles C4'-P-C4' energy: -24.829
flat angles P-C4'-P energy: -21.021
tors. eta vs tors. theta energy: -34.725
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: 219
Temperature: 1.000000
Total energy: -268.850732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.850732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.118191 (E_RNA)
where:
Base-Base interactions energy: -164.081
where: short stacking energy: -73.188
Base-Backbone interact. energy: -0.013
local terms energy: -106.024090
where:
bonds (distance) C4'-P energy: -24.678
bonds (distance) P-C4' energy: -23.870
flat angles C4'-P-C4' energy: -24.781
flat angles P-C4'-P energy: -14.123
tors. eta vs tors. theta energy: -18.571
Dist. restrs. and SS energy: 1.267 (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: 10
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -269.110961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.110961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.223789 (E_RNA)
where:
Base-Base interactions energy: -158.511
where: short stacking energy: -92.269
Base-Backbone interact. energy: -0.001
local terms energy: -110.711673
where:
bonds (distance) C4'-P energy: -21.910
bonds (distance) P-C4' energy: -23.888
flat angles C4'-P-C4' energy: -19.313
flat angles P-C4'-P energy: -16.362
tors. eta vs tors. theta energy: -29.239
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -283.948627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.948627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.404093 (E_RNA)
where:
Base-Base interactions energy: -163.600
where: short stacking energy: -97.996
Base-Backbone interact. energy: -0.053
local terms energy: -120.751308
where:
bonds (distance) C4'-P energy: -21.935
bonds (distance) P-C4' energy: -23.946
flat angles C4'-P-C4' energy: -26.840
flat angles P-C4'-P energy: -18.734
tors. eta vs tors. theta energy: -29.295
Dist. restrs. and SS energy: 0.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -250.888604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.888604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.509546 (E_RNA)
where:
Base-Base interactions energy: -157.512
where: short stacking energy: -88.853
Base-Backbone interact. energy: -0.261
local terms energy: -93.736818
where:
bonds (distance) C4'-P energy: -18.702
bonds (distance) P-C4' energy: -18.080
flat angles C4'-P-C4' energy: -21.688
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -24.062
Dist. restrs. and SS energy: 0.621 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -225.089313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.089313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.692807 (E_RNA)
where:
Base-Base interactions energy: -142.009
where: short stacking energy: -69.056
Base-Backbone interact. energy: 1.238
local terms energy: -85.921431
where:
bonds (distance) C4'-P energy: -20.204
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -19.607
flat angles P-C4'-P energy: -13.372
tors. eta vs tors. theta energy: -16.609
Dist. restrs. and SS energy: 1.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -227.160492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.160492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.424550 (E_RNA)
where:
Base-Base interactions energy: -153.828
where: short stacking energy: -82.911
Base-Backbone interact. energy: -0.085
local terms energy: -73.511247
where:
bonds (distance) C4'-P energy: -18.944
bonds (distance) P-C4' energy: -8.312
flat angles C4'-P-C4' energy: -10.122
flat angles P-C4'-P energy: -12.914
tors. eta vs tors. theta energy: -23.219
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: 9, replica: 1
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -203.252593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.252593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.352570 (E_RNA)
where:
Base-Base interactions energy: -124.716
where: short stacking energy: -65.912
Base-Backbone interact. energy: -0.298
local terms energy: -78.338069
where:
bonds (distance) C4'-P energy: -16.875
bonds (distance) P-C4' energy: -25.269
flat angles C4'-P-C4' energy: -18.861
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -6.585
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: 10, replica: 5
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -197.187657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.187657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.441400 (E_RNA)
where:
Base-Base interactions energy: -117.649
where: short stacking energy: -54.106
Base-Backbone interact. energy: -1.082
local terms energy: -78.710955
where:
bonds (distance) C4'-P energy: -21.755
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -16.922
flat angles P-C4'-P energy: -14.933
tors. eta vs tors. theta energy: -8.518
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: 1, replica: 6
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -312.682623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.682623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.422046 (E_RNA)
where:
Base-Base interactions energy: -196.870
where: short stacking energy: -102.090
Base-Backbone interact. energy: -0.608
local terms energy: -116.944621
where:
bonds (distance) C4'-P energy: -25.334
bonds (distance) P-C4' energy: -21.961
flat angles C4'-P-C4' energy: -24.041
flat angles P-C4'-P energy: -14.928
tors. eta vs tors. theta energy: -30.679
Dist. restrs. and SS energy: 1.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -297.275463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.275463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.338331 (E_RNA)
where:
Base-Base interactions energy: -182.249
where: short stacking energy: -117.881
Base-Backbone interact. energy: 0.982
local terms energy: -116.071442
where:
bonds (distance) C4'-P energy: -19.915
bonds (distance) P-C4' energy: -21.795
flat angles C4'-P-C4' energy: -22.560
flat angles P-C4'-P energy: -18.721
tors. eta vs tors. theta energy: -33.080
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -279.232945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.232945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.527525 (E_RNA)
where:
Base-Base interactions energy: -170.962
where: short stacking energy: -93.230
Base-Backbone interact. energy: -0.010
local terms energy: -108.555251
where:
bonds (distance) C4'-P energy: -21.210
bonds (distance) P-C4' energy: -22.809
flat angles C4'-P-C4' energy: -18.296
flat angles P-C4'-P energy: -16.819
tors. eta vs tors. theta energy: -29.422
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: 4, replica: 10
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -258.357106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.357106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.398241 (E_RNA)
where:
Base-Base interactions energy: -149.750
where: short stacking energy: -85.771
Base-Backbone interact. energy: -0.559
local terms energy: -108.089271
where:
bonds (distance) C4'-P energy: -20.907
bonds (distance) P-C4' energy: -25.696
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -18.645
tors. eta vs tors. theta energy: -24.802
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: 7
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -266.432044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.432044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.585148 (E_RNA)
where:
Base-Base interactions energy: -172.831
where: short stacking energy: -91.743
Base-Backbone interact. energy: -0.013
local terms energy: -93.741248
where:
bonds (distance) C4'-P energy: -21.006
bonds (distance) P-C4' energy: -20.356
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -26.258
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: 9
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -250.791163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.791163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.883835 (E_RNA)
where:
Base-Base interactions energy: -163.150
where: short stacking energy: -84.836
Base-Backbone interact. energy: -0.085
local terms energy: -87.648675
where:
bonds (distance) C4'-P energy: -12.630
bonds (distance) P-C4' energy: -12.931
flat angles C4'-P-C4' energy: -22.743
flat angles P-C4'-P energy: -15.351
tors. eta vs tors. theta energy: -23.994
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: 220
Temperature: 1.200000
Total energy: -249.205887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.205887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.401182 (E_RNA)
where:
Base-Base interactions energy: -150.909
where: short stacking energy: -80.337
Base-Backbone interact. energy: -0.042
local terms energy: -98.451047
where:
bonds (distance) C4'-P energy: -18.272
bonds (distance) P-C4' energy: -18.944
flat angles C4'-P-C4' energy: -22.355
flat angles P-C4'-P energy: -17.876
tors. eta vs tors. theta energy: -21.004
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: 8, replica: 8
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -209.994666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.994666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.264927 (E_RNA)
where:
Base-Base interactions energy: -132.896
where: short stacking energy: -64.961
Base-Backbone interact. energy: -0.230
local terms energy: -77.139172
where:
bonds (distance) C4'-P energy: -17.441
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -16.816
tors. eta vs tors. theta energy: -13.555
Dist. restrs. and SS energy: 0.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -202.053421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.053421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.096855 (E_RNA)
where:
Base-Base interactions energy: -114.251
where: short stacking energy: -60.614
Base-Backbone interact. energy: -0.142
local terms energy: -87.704406
where:
bonds (distance) C4'-P energy: -18.333
bonds (distance) P-C4' energy: -23.418
flat angles C4'-P-C4' energy: -20.291
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -15.906
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: 220
Temperature: 1.350000
Total energy: -188.023799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.023799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.120370 (E_RNA)
where:
Base-Base interactions energy: -119.531
where: short stacking energy: -51.144
Base-Backbone interact. energy: -0.806
local terms energy: -67.783999
where:
bonds (distance) C4'-P energy: -17.173
bonds (distance) P-C4' energy: -18.780
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -7.950
tors. eta vs tors. theta energy: -9.823
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: 6
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -307.039728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.039728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.044261 (E_RNA)
where:
Base-Base interactions energy: -193.578
where: short stacking energy: -100.573
Base-Backbone interact. energy: -0.013
local terms energy: -115.452436
where:
bonds (distance) C4'-P energy: -25.594
bonds (distance) P-C4' energy: -22.034
flat angles C4'-P-C4' energy: -21.596
flat angles P-C4'-P energy: -15.631
tors. eta vs tors. theta energy: -30.598
Dist. restrs. and SS energy: 2.005 (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: 221
Temperature: 0.950000
Total energy: -309.560882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.560882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.598290 (E_RNA)
where:
Base-Base interactions energy: -189.116
where: short stacking energy: -108.036
Base-Backbone interact. energy: -0.007
local terms energy: -120.475401
where:
bonds (distance) C4'-P energy: -21.378
bonds (distance) P-C4' energy: -23.263
flat angles C4'-P-C4' energy: -24.343
flat angles P-C4'-P energy: -18.984
tors. eta vs tors. theta energy: -32.507
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: 3
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -285.990699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.990699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.990699 (E_RNA)
where:
Base-Base interactions energy: -170.984
where: short stacking energy: -105.325
Base-Backbone interact. energy: -0.014
local terms energy: -114.992319
where:
bonds (distance) C4'-P energy: -24.969
bonds (distance) P-C4' energy: -23.191
flat angles C4'-P-C4' energy: -23.345
flat angles P-C4'-P energy: -14.342
tors. eta vs tors. theta energy: -29.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -258.650100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.650100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.660131 (E_RNA)
where:
Base-Base interactions energy: -163.620
where: short stacking energy: -93.725
Base-Backbone interact. energy: -0.032
local terms energy: -95.008535
where:
bonds (distance) C4'-P energy: -14.759
bonds (distance) P-C4' energy: -21.109
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -18.577
tors. eta vs tors. theta energy: -23.952
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: 221
Temperature: 1.100000
Total energy: -244.613684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.613684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.696205 (E_RNA)
where:
Base-Base interactions energy: -149.822
where: short stacking energy: -83.839
Base-Backbone interact. energy: 0.190
local terms energy: -95.064512
where:
bonds (distance) C4'-P energy: -18.523
bonds (distance) P-C4' energy: -21.527
flat angles C4'-P-C4' energy: -20.814
flat angles P-C4'-P energy: -14.874
tors. eta vs tors. theta energy: -19.327
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -252.152003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.152003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.183014 (E_RNA)
where:
Base-Base interactions energy: -157.353
where: short stacking energy: -85.957
Base-Backbone interact. energy: -0.122
local terms energy: -94.708172
where:
bonds (distance) C4'-P energy: -20.560
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -21.473
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: -24.633
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -216.795803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.795803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.035789 (E_RNA)
where:
Base-Base interactions energy: -125.668
where: short stacking energy: -64.523
Base-Backbone interact. energy: -0.173
local terms energy: -91.195157
where:
bonds (distance) C4'-P energy: -24.581
bonds (distance) P-C4' energy: -18.355
flat angles C4'-P-C4' energy: -25.356
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -14.573
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: 8
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -212.609466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.609466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.631732 (E_RNA)
where:
Base-Base interactions energy: -127.828
where: short stacking energy: -67.551
Base-Backbone interact. energy: -0.372
local terms energy: -84.432166
where:
bonds (distance) C4'-P energy: -19.686
bonds (distance) P-C4' energy: -21.767
flat angles C4'-P-C4' energy: -16.923
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -15.521
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: 1
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -197.118037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.118037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.250062 (E_RNA)
where:
Base-Base interactions energy: -128.894
where: short stacking energy: -71.576
Base-Backbone interact. energy: -0.047
local terms energy: -68.309615
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -13.745
flat angles C4'-P-C4' energy: -19.103
flat angles P-C4'-P energy: -7.062
tors. eta vs tors. theta energy: -12.735
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: 5
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -195.706809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.706809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.054661 (E_RNA)
where:
Base-Base interactions energy: -123.549
where: short stacking energy: -64.443
Base-Backbone interact. energy: -0.079
local terms energy: -72.426592
where:
bonds (distance) C4'-P energy: -18.337
bonds (distance) P-C4' energy: -16.925
flat angles C4'-P-C4' energy: -17.222
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -9.844
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: 222
Temperature: 0.900000
Total energy: -308.184360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.184360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.320979 (E_RNA)
where:
Base-Base interactions energy: -184.318
where: short stacking energy: -104.706
Base-Backbone interact. energy: -0.143
local terms energy: -123.860274
where:
bonds (distance) C4'-P energy: -19.747
bonds (distance) P-C4' energy: -24.696
flat angles C4'-P-C4' energy: -27.790
flat angles P-C4'-P energy: -20.380
tors. eta vs tors. theta energy: -31.247
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: 6
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -278.609315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.609315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.660780 (E_RNA)
where:
Base-Base interactions energy: -180.218
where: short stacking energy: -92.449
Base-Backbone interact. energy: 3.551
local terms energy: -101.993486
where:
bonds (distance) C4'-P energy: -12.887
bonds (distance) P-C4' energy: -23.552
flat angles C4'-P-C4' energy: -23.560
flat angles P-C4'-P energy: -15.798
tors. eta vs tors. theta energy: -26.197
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -293.111573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.111573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.974952 (E_RNA)
where:
Base-Base interactions energy: -175.667
where: short stacking energy: -88.020
Base-Backbone interact. energy: -0.062
local terms energy: -118.245562
where:
bonds (distance) C4'-P energy: -19.503
bonds (distance) P-C4' energy: -25.327
flat angles C4'-P-C4' energy: -24.092
flat angles P-C4'-P energy: -19.770
tors. eta vs tors. theta energy: -29.553
Dist. restrs. and SS energy: 0.863 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -250.647406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.647406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.664402 (E_RNA)
where:
Base-Base interactions energy: -148.723
where: short stacking energy: -82.823
Base-Backbone interact. energy: 1.606
local terms energy: -103.547746
where:
bonds (distance) C4'-P energy: -18.504
bonds (distance) P-C4' energy: -22.080
flat angles C4'-P-C4' energy: -25.555
flat angles P-C4'-P energy: -16.303
tors. eta vs tors. theta energy: -21.106
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: 222
Temperature: 1.100000
Total energy: -247.977422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.977422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.977422 (E_RNA)
where:
Base-Base interactions energy: -155.510
where: short stacking energy: -80.262
Base-Backbone interact. energy: -0.136
local terms energy: -92.331235
where:
bonds (distance) C4'-P energy: -19.471
bonds (distance) P-C4' energy: -24.449
flat angles C4'-P-C4' energy: -19.324
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -19.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -220.710116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.710116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.715935 (E_RNA)
where:
Base-Base interactions energy: -139.440
where: short stacking energy: -70.515
Base-Backbone interact. energy: -1.195
local terms energy: -80.080802
where:
bonds (distance) C4'-P energy: -22.432
bonds (distance) P-C4' energy: -23.097
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -4.291
tors. eta vs tors. theta energy: -14.105
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -223.245009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.245009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.254751 (E_RNA)
where:
Base-Base interactions energy: -131.197
where: short stacking energy: -67.418
Base-Backbone interact. energy: 0.194
local terms energy: -92.252079
where:
bonds (distance) C4'-P energy: -19.524
bonds (distance) P-C4' energy: -22.905
flat angles C4'-P-C4' energy: -19.461
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -18.604
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -202.826831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.826831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.920519 (E_RNA)
where:
Base-Base interactions energy: -115.075
where: short stacking energy: -54.975
Base-Backbone interact. energy: -0.546
local terms energy: -87.300202
where:
bonds (distance) C4'-P energy: -17.845
bonds (distance) P-C4' energy: -25.014
flat angles C4'-P-C4' energy: -19.504
flat angles P-C4'-P energy: -14.892
tors. eta vs tors. theta energy: -10.045
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: 9, replica: 5
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -225.704588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.704588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.731882 (E_RNA)
where:
Base-Base interactions energy: -141.701
where: short stacking energy: -74.512
Base-Backbone interact. energy: -0.737
local terms energy: -84.293801
where:
bonds (distance) C4'-P energy: -20.136
bonds (distance) P-C4' energy: -22.935
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -17.449
Dist. restrs. and SS energy: 1.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -200.724344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.724344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.739837 (E_RNA)
where:
Base-Base interactions energy: -125.521
where: short stacking energy: -69.101
Base-Backbone interact. energy: -0.350
local terms energy: -74.868244
where:
bonds (distance) C4'-P energy: -18.756
bonds (distance) P-C4' energy: -19.647
flat angles C4'-P-C4' energy: -17.808
flat angles P-C4'-P energy: -5.743
tors. eta vs tors. theta energy: -12.914
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: 1, replica: 2
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -312.007058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.007058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.458362 (E_RNA)
where:
Base-Base interactions energy: -195.494
where: short stacking energy: -106.648
Base-Backbone interact. energy: -0.141
local terms energy: -117.823576
where:
bonds (distance) C4'-P energy: -19.145
bonds (distance) P-C4' energy: -24.718
flat angles C4'-P-C4' energy: -23.366
flat angles P-C4'-P energy: -18.276
tors. eta vs tors. theta energy: -32.318
Dist. restrs. and SS energy: 1.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -291.106961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.106961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.156065 (E_RNA)
where:
Base-Base interactions energy: -176.468
where: short stacking energy: -103.399
Base-Backbone interact. energy: -0.102
local terms energy: -114.586175
where:
bonds (distance) C4'-P energy: -21.900
bonds (distance) P-C4' energy: -22.235
flat angles C4'-P-C4' energy: -24.071
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -34.368
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -275.506615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.506615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.931696 (E_RNA)
where:
Base-Base interactions energy: -175.787
where: short stacking energy: -84.199
Base-Backbone interact. energy: -0.003
local terms energy: -101.141565
where:
bonds (distance) C4'-P energy: -13.148
bonds (distance) P-C4' energy: -20.581
flat angles C4'-P-C4' energy: -22.956
flat angles P-C4'-P energy: -15.624
tors. eta vs tors. theta energy: -28.832
Dist. restrs. and SS energy: 1.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -248.856340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.856340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.398311 (E_RNA)
where:
Base-Base interactions energy: -161.594
where: short stacking energy: -82.793
Base-Backbone interact. energy: -0.186
local terms energy: -88.619131
where:
bonds (distance) C4'-P energy: -21.669
bonds (distance) P-C4' energy: -20.687
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -12.935
tors. eta vs tors. theta energy: -17.680
Dist. restrs. and SS energy: 1.542 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -243.840447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.840447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.840447 (E_RNA)
where:
Base-Base interactions energy: -153.019
where: short stacking energy: -82.167
Base-Backbone interact. energy: -0.095
local terms energy: -90.725910
where:
bonds (distance) C4'-P energy: -19.987
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -23.093
flat angles P-C4'-P energy: -18.107
tors. eta vs tors. theta energy: -13.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -237.671867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.671867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.684874 (E_RNA)
where:
Base-Base interactions energy: -146.362
where: short stacking energy: -70.223
Base-Backbone interact. energy: -0.047
local terms energy: -91.275711
where:
bonds (distance) C4'-P energy: -15.773
bonds (distance) P-C4' energy: -26.153
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -13.891
tors. eta vs tors. theta energy: -21.218
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: 7
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -226.819147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.819147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.024992 (E_RNA)
where:
Base-Base interactions energy: -135.674
where: short stacking energy: -73.490
Base-Backbone interact. energy: -0.447
local terms energy: -90.904183
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -22.161
flat angles C4'-P-C4' energy: -19.758
flat angles P-C4'-P energy: -17.810
tors. eta vs tors. theta energy: -14.887
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: 8, replica: 4
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -203.301520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.301520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.473375 (E_RNA)
where:
Base-Base interactions energy: -130.669
where: short stacking energy: -58.764
Base-Backbone interact. energy: -0.298
local terms energy: -72.505971
where:
bonds (distance) C4'-P energy: -22.635
bonds (distance) P-C4' energy: -22.971
flat angles C4'-P-C4' energy: -11.944
flat angles P-C4'-P energy: -7.099
tors. eta vs tors. theta energy: -7.857
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: 9, replica: 5
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -215.923309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.923309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.980215 (E_RNA)
where:
Base-Base interactions energy: -126.941
where: short stacking energy: -62.146
Base-Backbone interact. energy: -0.326
local terms energy: -88.712898
where:
bonds (distance) C4'-P energy: -17.429
bonds (distance) P-C4' energy: -19.594
flat angles C4'-P-C4' energy: -23.289
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -17.533
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: 1
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -196.879879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.879879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.043139 (E_RNA)
where:
Base-Base interactions energy: -117.428
where: short stacking energy: -61.347
Base-Backbone interact. energy: -0.406
local terms energy: -79.209366
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -20.547
flat angles C4'-P-C4' energy: -21.558
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -12.051
Dist. restrs. and SS energy: 0.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -294.144002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.144002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.727737 (E_RNA)
where:
Base-Base interactions energy: -182.351
where: short stacking energy: -99.515
Base-Backbone interact. energy: -2.589
local terms energy: -109.788355
where:
bonds (distance) C4'-P energy: -19.401
bonds (distance) P-C4' energy: -21.030
flat angles C4'-P-C4' energy: -22.504
flat angles P-C4'-P energy: -18.681
tors. eta vs tors. theta energy: -28.172
Dist. restrs. and SS energy: 0.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -294.195602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.195602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.497816 (E_RNA)
where:
Base-Base interactions energy: -183.858
where: short stacking energy: -103.570
Base-Backbone interact. energy: 0.687
local terms energy: -111.326776
where:
bonds (distance) C4'-P energy: -22.729
bonds (distance) P-C4' energy: -25.594
flat angles C4'-P-C4' energy: -21.037
flat angles P-C4'-P energy: -14.487
tors. eta vs tors. theta energy: -27.479
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: 3, replica: 6
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -295.316568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.316568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.832698 (E_RNA)
where:
Base-Base interactions energy: -181.383
where: short stacking energy: -95.422
Base-Backbone interact. energy: -0.005
local terms energy: -115.444330
where:
bonds (distance) C4'-P energy: -21.871
bonds (distance) P-C4' energy: -25.595
flat angles C4'-P-C4' energy: -23.675
flat angles P-C4'-P energy: -16.391
tors. eta vs tors. theta energy: -27.912
Dist. restrs. and SS energy: 1.516 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -245.675608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.675608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.818102 (E_RNA)
where:
Base-Base interactions energy: -156.196
where: short stacking energy: -69.827
Base-Backbone interact. energy: -0.180
local terms energy: -89.442710
where:
bonds (distance) C4'-P energy: -19.395
bonds (distance) P-C4' energy: -18.470
flat angles C4'-P-C4' energy: -19.034
flat angles P-C4'-P energy: -14.907
tors. eta vs tors. theta energy: -17.636
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: 8
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -233.224344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.224344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.365670 (E_RNA)
where:
Base-Base interactions energy: -141.065
where: short stacking energy: -85.415
Base-Backbone interact. energy: -0.162
local terms energy: -92.138820
where:
bonds (distance) C4'-P energy: -22.654
bonds (distance) P-C4' energy: -24.658
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -12.339
tors. eta vs tors. theta energy: -19.002
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: 9
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -214.780383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.780383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.858045 (E_RNA)
where:
Base-Base interactions energy: -124.345
where: short stacking energy: -62.155
Base-Backbone interact. energy: -0.117
local terms energy: -90.396455
where:
bonds (distance) C4'-P energy: -17.649
bonds (distance) P-C4' energy: -23.754
flat angles C4'-P-C4' energy: -19.945
flat angles P-C4'-P energy: -15.781
tors. eta vs tors. theta energy: -13.268
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -222.429559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.429559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.429559 (E_RNA)
where:
Base-Base interactions energy: -138.217
where: short stacking energy: -73.211
Base-Backbone interact. energy: -0.277
local terms energy: -83.935722
where:
bonds (distance) C4'-P energy: -20.600
bonds (distance) P-C4' energy: -17.959
flat angles C4'-P-C4' energy: -19.927
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -15.381
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -214.725738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.725738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.970494 (E_RNA)
where:
Base-Base interactions energy: -139.224
where: short stacking energy: -71.379
Base-Backbone interact. energy: -0.114
local terms energy: -75.631924
where:
bonds (distance) C4'-P energy: -8.233
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -15.601
tors. eta vs tors. theta energy: -16.959
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: 1
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -201.115816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.115816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.694694 (E_RNA)
where:
Base-Base interactions energy: -128.478
where: short stacking energy: -58.723
Base-Backbone interact. energy: -0.236
local terms energy: -72.980827
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -20.364
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -7.854
Dist. restrs. and SS energy: 0.579 (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: 224
Temperature: 1.350000
Total energy: -198.533259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.533259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.659307 (E_RNA)
where:
Base-Base interactions energy: -121.560
where: short stacking energy: -59.033
Base-Backbone interact. energy: -0.791
local terms energy: -78.308092
where:
bonds (distance) C4'-P energy: -20.921
bonds (distance) P-C4' energy: -18.537
flat angles C4'-P-C4' energy: -18.743
flat angles P-C4'-P energy: -11.216
tors. eta vs tors. theta energy: -8.891
Dist. restrs. and SS energy: 2.126 (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: 3
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -303.699435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.699435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.095722 (E_RNA)
where:
Base-Base interactions energy: -187.965
where: short stacking energy: -104.310
Base-Backbone interact. energy: -2.215
local terms energy: -114.916041
where:
bonds (distance) C4'-P energy: -19.518
bonds (distance) P-C4' energy: -24.835
flat angles C4'-P-C4' energy: -25.238
flat angles P-C4'-P energy: -14.692
tors. eta vs tors. theta energy: -30.634
Dist. restrs. and SS energy: 1.396 (S_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: -276.396259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.396259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.165973 (E_RNA)
where:
Base-Base interactions energy: -180.973
where: short stacking energy: -84.042
Base-Backbone interact. energy: -0.131
local terms energy: -98.062235
where:
bonds (distance) C4'-P energy: -16.274
bonds (distance) P-C4' energy: -19.218
flat angles C4'-P-C4' energy: -21.584
flat angles P-C4'-P energy: -16.388
tors. eta vs tors. theta energy: -24.598
Dist. restrs. and SS energy: 2.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -292.957940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.957940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.311971 (E_RNA)
where:
Base-Base interactions energy: -180.027
where: short stacking energy: -98.124
Base-Backbone interact. energy: 0.029
local terms energy: -113.314303
where:
bonds (distance) C4'-P energy: -18.663
bonds (distance) P-C4' energy: -23.381
flat angles C4'-P-C4' energy: -23.761
flat angles P-C4'-P energy: -15.491
tors. eta vs tors. theta energy: -32.018
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: 4, replica: 10
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -271.077698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.077698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.108615 (E_RNA)
where:
Base-Base interactions energy: -158.649
where: short stacking energy: -92.337
Base-Backbone interact. energy: -0.002
local terms energy: -112.457689
where:
bonds (distance) C4'-P energy: -24.480
bonds (distance) P-C4' energy: -19.440
flat angles C4'-P-C4' energy: -22.325
flat angles P-C4'-P energy: -16.133
tors. eta vs tors. theta energy: -30.080
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: 8
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -238.136740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.136740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.326721 (E_RNA)
where:
Base-Base interactions energy: -142.752
where: short stacking energy: -78.297
Base-Backbone interact. energy: -0.424
local terms energy: -95.150174
where:
bonds (distance) C4'-P energy: -23.851
bonds (distance) P-C4' energy: -25.179
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -13.033
tors. eta vs tors. theta energy: -19.610
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: 7
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -228.422061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.422061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.453478 (E_RNA)
where:
Base-Base interactions energy: -128.652
where: short stacking energy: -67.386
Base-Backbone interact. energy: -0.292
local terms energy: -99.509176
where:
bonds (distance) C4'-P energy: -21.011
bonds (distance) P-C4' energy: -26.094
flat angles C4'-P-C4' energy: -20.662
flat angles P-C4'-P energy: -16.442
tors. eta vs tors. theta energy: -15.300
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: 7, replica: 9
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -217.129233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.129233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.433758 (E_RNA)
where:
Base-Base interactions energy: -141.792
where: short stacking energy: -70.540
Base-Backbone interact. energy: 0.496
local terms energy: -77.137649
where:
bonds (distance) C4'-P energy: -22.957
bonds (distance) P-C4' energy: -15.143
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -15.283
Dist. restrs. and SS energy: 1.305 (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: 4
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -216.553885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.553885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.792780 (E_RNA)
where:
Base-Base interactions energy: -121.780
where: short stacking energy: -58.191
Base-Backbone interact. energy: -0.300
local terms energy: -94.712350
where:
bonds (distance) C4'-P energy: -20.408
bonds (distance) P-C4' energy: -15.242
flat angles C4'-P-C4' energy: -21.588
flat angles P-C4'-P energy: -18.825
tors. eta vs tors. theta energy: -18.648
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: 1
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -199.681938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.681938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.681938 (E_RNA)
where:
Base-Base interactions energy: -111.822
where: short stacking energy: -46.236
Base-Backbone interact. energy: -0.838
local terms energy: -87.022067
where:
bonds (distance) C4'-P energy: -20.366
bonds (distance) P-C4' energy: -23.892
flat angles C4'-P-C4' energy: -18.189
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -11.481
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -187.013101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.013101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.013101 (E_RNA)
where:
Base-Base interactions energy: -119.250
where: short stacking energy: -59.266
Base-Backbone interact. energy: -0.177
local terms energy: -67.585744
where:
bonds (distance) C4'-P energy: -3.190
bonds (distance) P-C4' energy: -24.928
flat angles C4'-P-C4' energy: -22.053
flat angles P-C4'-P energy: -6.302
tors. eta vs tors. theta energy: -11.112
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -313.947926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.947926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.934267 (E_RNA)
where:
Base-Base interactions energy: -195.592
where: short stacking energy: -119.836
Base-Backbone interact. energy: -0.127
local terms energy: -120.214531
where:
bonds (distance) C4'-P energy: -24.004
bonds (distance) P-C4' energy: -18.624
flat angles C4'-P-C4' energy: -25.975
flat angles P-C4'-P energy: -18.752
tors. eta vs tors. theta energy: -32.860
Dist. restrs. and SS energy: 1.986 (S_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: 226
Temperature: 0.950000
Total energy: -273.724836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.724836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.750129 (E_RNA)
where:
Base-Base interactions energy: -164.435
where: short stacking energy: -88.792
Base-Backbone interact. energy: 0.030
local terms energy: -111.344824
where:
bonds (distance) C4'-P energy: -20.041
bonds (distance) P-C4' energy: -23.120
flat angles C4'-P-C4' energy: -24.769
flat angles P-C4'-P energy: -19.618
tors. eta vs tors. theta energy: -23.797
Dist. restrs. and SS energy: 2.025 (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: 2
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -300.618568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.618568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.670331 (E_RNA)
where:
Base-Base interactions energy: -183.412
where: short stacking energy: -111.770
Base-Backbone interact. energy: -0.029
local terms energy: -117.229720
where:
bonds (distance) C4'-P energy: -18.577
bonds (distance) P-C4' energy: -23.436
flat angles C4'-P-C4' energy: -24.381
flat angles P-C4'-P energy: -19.370
tors. eta vs tors. theta energy: -31.466
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: 226
Temperature: 1.050000
Total energy: -266.242175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.242175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.242175 (E_RNA)
where:
Base-Base interactions energy: -164.663
where: short stacking energy: -94.483
Base-Backbone interact. energy: -0.007
local terms energy: -101.572594
where:
bonds (distance) C4'-P energy: -17.218
bonds (distance) P-C4' energy: -24.527
flat angles C4'-P-C4' energy: -21.121
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -28.018
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -247.804476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.804476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.298204 (E_RNA)
where:
Base-Base interactions energy: -145.515
where: short stacking energy: -81.754
Base-Backbone interact. energy: -0.210
local terms energy: -102.574079
where:
bonds (distance) C4'-P energy: -18.516
bonds (distance) P-C4' energy: -21.259
flat angles C4'-P-C4' energy: -23.343
flat angles P-C4'-P energy: -18.691
tors. eta vs tors. theta energy: -20.766
Dist. restrs. and SS energy: 0.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -226.811263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.811263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.425261 (E_RNA)
where:
Base-Base interactions energy: -140.410
where: short stacking energy: -66.017
Base-Backbone interact. energy: 1.286
local terms energy: -88.301459
where:
bonds (distance) C4'-P energy: -21.049
bonds (distance) P-C4' energy: -18.239
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -15.492
tors. eta vs tors. theta energy: -15.972
Dist. restrs. and SS energy: 0.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -244.166736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.166736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.166736 (E_RNA)
where:
Base-Base interactions energy: -146.108
where: short stacking energy: -79.987
Base-Backbone interact. energy: -0.108
local terms energy: -97.950952
where:
bonds (distance) C4'-P energy: -14.862
bonds (distance) P-C4' energy: -24.306
flat angles C4'-P-C4' energy: -20.156
flat angles P-C4'-P energy: -14.249
tors. eta vs tors. theta energy: -24.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -212.317839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.317839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.461380 (E_RNA)
where:
Base-Base interactions energy: -137.146
where: short stacking energy: -74.575
Base-Backbone interact. energy: -0.172
local terms energy: -75.143551
where:
bonds (distance) C4'-P energy: -9.820
bonds (distance) P-C4' energy: -14.122
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -16.367
tors. eta vs tors. theta energy: -18.259
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: 5
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -204.695202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.695202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.774751 (E_RNA)
where:
Base-Base interactions energy: -125.990
where: short stacking energy: -59.959
Base-Backbone interact. energy: -0.425
local terms energy: -78.360313
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -20.158
flat angles C4'-P-C4' energy: -23.442
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -9.502
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: 1
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -197.714441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.714441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.180942 (E_RNA)
where:
Base-Base interactions energy: -123.259
where: short stacking energy: -64.672
Base-Backbone interact. energy: -0.431
local terms energy: -74.491416
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -17.966
Dist. restrs. and SS energy: 0.467 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -299.538445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.538445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.785685 (E_RNA)
where:
Base-Base interactions energy: -183.649
where: short stacking energy: -89.237
Base-Backbone interact. energy: -0.144
local terms energy: -116.992472
where:
bonds (distance) C4'-P energy: -25.131
bonds (distance) P-C4' energy: -23.369
flat angles C4'-P-C4' energy: -21.642
flat angles P-C4'-P energy: -18.380
tors. eta vs tors. theta energy: -28.471
Dist. restrs. and SS energy: 1.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -304.265917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.265917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.360328 (E_RNA)
where:
Base-Base interactions energy: -180.843
where: short stacking energy: -106.080
Base-Backbone interact. energy: -0.048
local terms energy: -123.469209
where:
bonds (distance) C4'-P energy: -20.341
bonds (distance) P-C4' energy: -20.230
flat angles C4'-P-C4' energy: -27.118
flat angles P-C4'-P energy: -21.333
tors. eta vs tors. theta energy: -34.447
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: 6
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -274.842633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.842633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.529165 (E_RNA)
where:
Base-Base interactions energy: -167.565
where: short stacking energy: -91.421
Base-Backbone interact. energy: -1.682
local terms energy: -107.282191
where:
bonds (distance) C4'-P energy: -23.338
bonds (distance) P-C4' energy: -20.751
flat angles C4'-P-C4' energy: -21.440
flat angles P-C4'-P energy: -13.106
tors. eta vs tors. theta energy: -28.647
Dist. restrs. and SS energy: 1.687 (S_DIST_RNA)
chem. 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: -243.911902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.911902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.070036 (E_RNA)
where:
Base-Base interactions energy: -144.377
where: short stacking energy: -79.063
Base-Backbone interact. energy: -0.237
local terms energy: -99.455797
where:
bonds (distance) C4'-P energy: -22.505
bonds (distance) P-C4' energy: -21.539
flat angles C4'-P-C4' energy: -20.849
flat angles P-C4'-P energy: -16.640
tors. eta vs tors. theta energy: -17.922
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: 7
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -233.060399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.060399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.080074 (E_RNA)
where:
Base-Base interactions energy: -141.755
where: short stacking energy: -74.859
Base-Backbone interact. energy: -0.400
local terms energy: -90.924987
where:
bonds (distance) C4'-P energy: -18.265
bonds (distance) P-C4' energy: -24.286
flat angles C4'-P-C4' energy: -22.719
flat angles P-C4'-P energy: -11.824
tors. eta vs tors. theta energy: -13.831
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: 9
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -227.027968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.027968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.046751 (E_RNA)
where:
Base-Base interactions energy: -129.527
where: short stacking energy: -66.416
Base-Backbone interact. energy: -0.553
local terms energy: -96.966133
where:
bonds (distance) C4'-P energy: -22.639
bonds (distance) P-C4' energy: -24.487
flat angles C4'-P-C4' energy: -24.336
flat angles P-C4'-P energy: -16.938
tors. eta vs tors. theta energy: -8.566
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: 8
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -230.446407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.446407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.723685 (E_RNA)
where:
Base-Base interactions energy: -150.936
where: short stacking energy: -83.721
Base-Backbone interact. energy: 0.479
local terms energy: -80.266500
where:
bonds (distance) C4'-P energy: -16.460
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -19.004
flat angles P-C4'-P energy: -15.480
tors. eta vs tors. theta energy: -15.543
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: 4
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -213.201699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.201699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.653201 (E_RNA)
where:
Base-Base interactions energy: -121.370
where: short stacking energy: -60.586
Base-Backbone interact. energy: -0.224
local terms energy: -92.059174
where:
bonds (distance) C4'-P energy: -23.260
bonds (distance) P-C4' energy: -18.174
flat angles C4'-P-C4' energy: -21.326
flat angles P-C4'-P energy: -14.524
tors. eta vs tors. theta energy: -14.775
Dist. restrs. and SS energy: 0.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -207.706233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.706233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.706233 (E_RNA)
where:
Base-Base interactions energy: -125.170
where: short stacking energy: -58.857
Base-Backbone interact. energy: 0.551
local terms energy: -83.087442
where:
bonds (distance) C4'-P energy: -21.744
bonds (distance) P-C4' energy: -21.761
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -15.050
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -198.072718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.072718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.088234 (E_RNA)
where:
Base-Base interactions energy: -123.684
where: short stacking energy: -60.852
Base-Backbone interact. energy: -0.432
local terms energy: -73.973006
where:
bonds (distance) C4'-P energy: -21.408
bonds (distance) P-C4' energy: -18.977
flat angles C4'-P-C4' energy: -17.626
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -7.370
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: 2
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -292.874164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.874164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.886811 (E_RNA)
where:
Base-Base interactions energy: -176.084
where: short stacking energy: -107.213
Base-Backbone interact. energy: -0.057
local terms energy: -116.746400
where:
bonds (distance) C4'-P energy: -22.212
bonds (distance) P-C4' energy: -25.110
flat angles C4'-P-C4' energy: -25.900
flat angles P-C4'-P energy: -15.897
tors. eta vs tors. theta energy: -27.628
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: 3
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -300.609693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.609693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.293159 (E_RNA)
where:
Base-Base interactions energy: -182.886
where: short stacking energy: -106.067
Base-Backbone interact. energy: -0.002
local terms energy: -118.405072
where:
bonds (distance) C4'-P energy: -21.367
bonds (distance) P-C4' energy: -21.581
flat angles C4'-P-C4' energy: -25.099
flat angles P-C4'-P energy: -19.281
tors. eta vs tors. theta energy: -31.077
Dist. restrs. and SS energy: 0.683 (S_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: 228
Temperature: 1.000000
Total energy: -272.801151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.801151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.853783 (E_RNA)
where:
Base-Base interactions energy: -175.239
where: short stacking energy: -85.748
Base-Backbone interact. energy: -0.266
local terms energy: -99.349237
where:
bonds (distance) C4'-P energy: -21.329
bonds (distance) P-C4' energy: -19.381
flat angles C4'-P-C4' energy: -21.204
flat angles P-C4'-P energy: -15.660
tors. eta vs tors. theta energy: -21.775
Dist. restrs. and SS energy: 2.053 (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: 228
Temperature: 1.050000
Total energy: -268.076704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.076704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.076704 (E_RNA)
where:
Base-Base interactions energy: -160.736
where: short stacking energy: -93.250
Base-Backbone interact. energy: -0.990
local terms energy: -106.351438
where:
bonds (distance) C4'-P energy: -20.551
bonds (distance) P-C4' energy: -19.680
flat angles C4'-P-C4' energy: -19.808
flat angles P-C4'-P energy: -18.227
tors. eta vs tors. theta energy: -28.086
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: 5, replica: 7
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -249.240880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.240880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.227005 (E_RNA)
where:
Base-Base interactions energy: -152.521
where: short stacking energy: -80.850
Base-Backbone interact. energy: -0.081
local terms energy: -98.625716
where:
bonds (distance) C4'-P energy: -15.397
bonds (distance) P-C4' energy: -24.349
flat angles C4'-P-C4' energy: -22.455
flat angles P-C4'-P energy: -16.002
tors. eta vs tors. theta energy: -20.422
Dist. restrs. and SS energy: 1.986 (S_DIST_RNA)
chem. 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: -239.084231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.084231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.193016 (E_RNA)
where:
Base-Base interactions energy: -147.259
where: short stacking energy: -85.390
Base-Backbone interact. energy: -0.228
local terms energy: -93.706260
where:
bonds (distance) C4'-P energy: -18.812
bonds (distance) P-C4' energy: -17.649
flat angles C4'-P-C4' energy: -24.317
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -20.457
Dist. restrs. and SS energy: 2.109 (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: 228
Temperature: 1.200000
Total energy: -235.124083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.124083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.752857 (E_RNA)
where:
Base-Base interactions energy: -143.747
where: short stacking energy: -71.153
Base-Backbone interact. energy: -0.141
local terms energy: -91.864729
where:
bonds (distance) C4'-P energy: -21.736
bonds (distance) P-C4' energy: -23.177
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -14.525
tors. eta vs tors. theta energy: -16.962
Dist. restrs. and SS energy: 0.629 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -211.507132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.507132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.507132 (E_RNA)
where:
Base-Base interactions energy: -138.463
where: short stacking energy: -70.921
Base-Backbone interact. energy: -0.401
local terms energy: -72.643420
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -22.059
flat angles C4'-P-C4' energy: -8.585
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -16.165
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: 9, replica: 5
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -206.500965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.500965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.726021 (E_RNA)
where:
Base-Base interactions energy: -114.859
where: short stacking energy: -56.958
Base-Backbone interact. energy: 0.707
local terms energy: -92.573429
where:
bonds (distance) C4'-P energy: -21.901
bonds (distance) P-C4' energy: -23.096
flat angles C4'-P-C4' energy: -20.716
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -14.540
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: 10, replica: 1
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -203.058856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.058856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.225658 (E_RNA)
where:
Base-Base interactions energy: -125.454
where: short stacking energy: -64.877
Base-Backbone interact. energy: -0.061
local terms energy: -77.710003
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -21.294
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -12.454
tors. eta vs tors. theta energy: -9.817
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: 1, replica: 2
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -313.972857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.972857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.980364 (E_RNA)
where:
Base-Base interactions energy: -192.306
where: short stacking energy: -102.886
Base-Backbone interact. energy: -0.001
local terms energy: -121.672769
where:
bonds (distance) C4'-P energy: -20.570
bonds (distance) P-C4' energy: -21.450
flat angles C4'-P-C4' energy: -25.996
flat angles P-C4'-P energy: -18.581
tors. eta vs tors. theta energy: -35.076
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -279.300642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.300642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.300642 (E_RNA)
where:
Base-Base interactions energy: -166.779
where: short stacking energy: -95.427
Base-Backbone interact. energy: -0.080
local terms energy: -112.441005
where:
bonds (distance) C4'-P energy: -24.749
bonds (distance) P-C4' energy: -26.597
flat angles C4'-P-C4' energy: -16.394
flat angles P-C4'-P energy: -15.360
tors. eta vs tors. theta energy: -29.341
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -272.282803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.282803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.561604 (E_RNA)
where:
Base-Base interactions energy: -165.855
where: short stacking energy: -89.673
Base-Backbone interact. energy: -0.077
local terms energy: -107.629225
where:
bonds (distance) C4'-P energy: -19.628
bonds (distance) P-C4' energy: -22.230
flat angles C4'-P-C4' energy: -23.376
flat angles P-C4'-P energy: -15.568
tors. eta vs tors. theta energy: -26.828
Dist. restrs. and SS energy: 1.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -256.350436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.350436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.390559 (E_RNA)
where:
Base-Base interactions energy: -158.520
where: short stacking energy: -78.549
Base-Backbone interact. energy: -0.398
local terms energy: -97.472603
where:
bonds (distance) C4'-P energy: -20.323
bonds (distance) P-C4' energy: -25.564
flat angles C4'-P-C4' energy: -19.091
flat angles P-C4'-P energy: -14.431
tors. eta vs tors. theta energy: -18.064
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -247.261015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.261015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.426061 (E_RNA)
where:
Base-Base interactions energy: -146.077
where: short stacking energy: -83.984
Base-Backbone interact. energy: -0.512
local terms energy: -100.837142
where:
bonds (distance) C4'-P energy: -21.374
bonds (distance) P-C4' energy: -19.151
flat angles C4'-P-C4' energy: -18.985
flat angles P-C4'-P energy: -17.665
tors. eta vs tors. theta energy: -23.663
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: 8
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -229.420468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.420468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.520869 (E_RNA)
where:
Base-Base interactions energy: -136.295
where: short stacking energy: -72.602
Base-Backbone interact. energy: -0.434
local terms energy: -92.792785
where:
bonds (distance) C4'-P energy: -21.235
bonds (distance) P-C4' energy: -17.024
flat angles C4'-P-C4' energy: -22.184
flat angles P-C4'-P energy: -12.892
tors. eta vs tors. theta energy: -19.458
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: 7, replica: 9
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -244.652709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.652709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.804206 (E_RNA)
where:
Base-Base interactions energy: -163.542
where: short stacking energy: -82.510
Base-Backbone interact. energy: 0.760
local terms energy: -82.023046
where:
bonds (distance) C4'-P energy: -21.069
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -21.298
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: 8, replica: 5
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -208.665635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.665635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.716766 (E_RNA)
where:
Base-Base interactions energy: -124.134
where: short stacking energy: -65.762
Base-Backbone interact. energy: 0.856
local terms energy: -85.438462
where:
bonds (distance) C4'-P energy: -18.185
bonds (distance) P-C4' energy: -18.853
flat angles C4'-P-C4' energy: -17.634
flat angles P-C4'-P energy: -14.499
tors. eta vs tors. theta energy: -16.268
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -194.400205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.400205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.709090 (E_RNA)
where:
Base-Base interactions energy: -115.223
where: short stacking energy: -54.744
Base-Backbone interact. energy: -0.117
local terms energy: -79.369069
where:
bonds (distance) C4'-P energy: -22.409
bonds (distance) P-C4' energy: -21.284
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: -12.607
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: 10, replica: 1
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -194.077159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.077159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.098177 (E_RNA)
where:
Base-Base interactions energy: -118.914
where: short stacking energy: -58.985
Base-Backbone interact. energy: -0.482
local terms energy: -74.701873
where:
bonds (distance) C4'-P energy: -21.581
bonds (distance) P-C4' energy: -22.171
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -5.497
tors. eta vs tors. theta energy: -9.652
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: 230
Temperature: 0.900000
Total energy: -309.794016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.794016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.978189 (E_RNA)
where:
Base-Base interactions energy: -197.011
where: short stacking energy: -113.148
Base-Backbone interact. energy: -0.156
local terms energy: -113.811159
where:
bonds (distance) C4'-P energy: -23.525
bonds (distance) P-C4' energy: -19.490
flat angles C4'-P-C4' energy: -24.759
flat angles P-C4'-P energy: -14.592
tors. eta vs tors. theta energy: -31.446
Dist. restrs. and SS energy: 1.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -290.243160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.243160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.739314 (E_RNA)
where:
Base-Base interactions energy: -183.236
where: short stacking energy: -92.660
Base-Backbone interact. energy: -0.182
local terms energy: -107.321643
where:
bonds (distance) C4'-P energy: -20.979
bonds (distance) P-C4' energy: -19.700
flat angles C4'-P-C4' energy: -24.484
flat angles P-C4'-P energy: -16.682
tors. eta vs tors. theta energy: -25.477
Dist. restrs. and SS energy: 0.496 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -281.915464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.915464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.006344 (E_RNA)
where:
Base-Base interactions energy: -172.890
where: short stacking energy: -102.756
Base-Backbone interact. energy: -0.003
local terms energy: -109.113728
where:
bonds (distance) C4'-P energy: -23.072
bonds (distance) P-C4' energy: -19.659
flat angles C4'-P-C4' energy: -22.091
flat angles P-C4'-P energy: -15.692
tors. eta vs tors. theta energy: -28.599
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: 3
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -257.424096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.424096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.671710 (E_RNA)
where:
Base-Base interactions energy: -166.237
where: short stacking energy: -98.123
Base-Backbone interact. energy: -0.031
local terms energy: -91.403862
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -23.362
flat angles C4'-P-C4' energy: -17.130
flat angles P-C4'-P energy: -10.516
tors. eta vs tors. theta energy: -26.343
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: 5, replica: 10
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -256.456558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.456558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.456558 (E_RNA)
where:
Base-Base interactions energy: -157.521
where: short stacking energy: -94.798
Base-Backbone interact. energy: -0.134
local terms energy: -98.801683
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -23.091
flat angles C4'-P-C4' energy: -21.762
flat angles P-C4'-P energy: -16.125
tors. eta vs tors. theta energy: -22.291
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -214.126625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.126625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.349454 (E_RNA)
where:
Base-Base interactions energy: -123.326
where: short stacking energy: -62.345
Base-Backbone interact. energy: -0.316
local terms energy: -90.707420
where:
bonds (distance) C4'-P energy: -15.836
bonds (distance) P-C4' energy: -21.618
flat angles C4'-P-C4' energy: -24.617
flat angles P-C4'-P energy: -16.917
tors. eta vs tors. theta energy: -11.721
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: 5
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -236.519872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.519872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.588704 (E_RNA)
where:
Base-Base interactions energy: -141.313
where: short stacking energy: -67.114
Base-Backbone interact. energy: -0.120
local terms energy: -95.155960
where:
bonds (distance) C4'-P energy: -21.088
bonds (distance) P-C4' energy: -18.435
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -19.891
tors. eta vs tors. theta energy: -18.452
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: 9
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -232.004103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.004103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.047740 (E_RNA)
where:
Base-Base interactions energy: -134.746
where: short stacking energy: -67.600
Base-Backbone interact. energy: 0.328
local terms energy: -97.629625
where:
bonds (distance) C4'-P energy: -23.288
bonds (distance) P-C4' energy: -24.123
flat angles C4'-P-C4' energy: -19.952
flat angles P-C4'-P energy: -14.130
tors. eta vs tors. theta energy: -16.137
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: 1
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -195.935567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.935567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.919641 (E_RNA)
where:
Base-Base interactions energy: -120.411
where: short stacking energy: -58.367
Base-Backbone interact. energy: 1.033
local terms energy: -77.540832
where:
bonds (distance) C4'-P energy: -21.520
bonds (distance) P-C4' energy: -17.827
flat angles C4'-P-C4' energy: -9.300
flat angles P-C4'-P energy: -13.251
tors. eta vs tors. theta energy: -15.644
Dist. restrs. and SS energy: 0.984 (S_DIST_RNA)
chem. 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: -192.608373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.608373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.623601 (E_RNA)
where:
Base-Base interactions energy: -118.758
where: short stacking energy: -53.958
Base-Backbone interact. energy: -0.116
local terms energy: -73.749486
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -20.808
flat angles C4'-P-C4' energy: -23.401
flat angles P-C4'-P energy: -7.637
tors. eta vs tors. theta energy: -6.241
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: 1, replica: 6
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -309.265703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.265703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.352082 (E_RNA)
where:
Base-Base interactions energy: -191.939
where: short stacking energy: -104.801
Base-Backbone interact. energy: 1.013
local terms energy: -119.426228
where:
bonds (distance) C4'-P energy: -21.050
bonds (distance) P-C4' energy: -25.303
flat angles C4'-P-C4' energy: -26.561
flat angles P-C4'-P energy: -14.551
tors. eta vs tors. theta energy: -31.961
Dist. restrs. and SS energy: 1.086 (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: 2
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -287.904538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.904538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.984561 (E_RNA)
where:
Base-Base interactions energy: -180.379
where: short stacking energy: -102.434
Base-Backbone interact. energy: -0.084
local terms energy: -107.521392
where:
bonds (distance) C4'-P energy: -23.991
bonds (distance) P-C4' energy: -24.272
flat angles C4'-P-C4' energy: -20.851
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -28.803
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: 7
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -273.059723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.059723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.060855 (E_RNA)
where:
Base-Base interactions energy: -175.710
where: short stacking energy: -103.257
Base-Backbone interact. energy: -0.099
local terms energy: -97.252194
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -21.706
flat angles C4'-P-C4' energy: -22.644
flat angles P-C4'-P energy: -14.418
tors. eta vs tors. theta energy: -25.377
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: 231
Temperature: 1.050000
Total energy: -259.096422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.096422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.249181 (E_RNA)
where:
Base-Base interactions energy: -162.883
where: short stacking energy: -91.625
Base-Backbone interact. energy: -0.133
local terms energy: -96.232887
where:
bonds (distance) C4'-P energy: -21.930
bonds (distance) P-C4' energy: -20.610
flat angles C4'-P-C4' energy: -17.539
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -23.831
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: 10
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -241.409317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.409317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.572096 (E_RNA)
where:
Base-Base interactions energy: -140.857
where: short stacking energy: -71.087
Base-Backbone interact. energy: -0.716
local terms energy: -99.999378
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -22.836
flat angles C4'-P-C4' energy: -21.226
flat angles P-C4'-P energy: -17.556
tors. eta vs tors. theta energy: -23.628
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: 5
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -226.798267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.798267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.849803 (E_RNA)
where:
Base-Base interactions energy: -139.742
where: short stacking energy: -67.165
Base-Backbone interact. energy: -0.358
local terms energy: -86.750290
where:
bonds (distance) C4'-P energy: -18.083
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -23.418
flat angles P-C4'-P energy: -13.178
tors. eta vs tors. theta energy: -14.623
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -219.583999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.583999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.186609 (E_RNA)
where:
Base-Base interactions energy: -130.135
where: short stacking energy: -80.892
Base-Backbone interact. energy: 1.421
local terms energy: -91.473124
where:
bonds (distance) C4'-P energy: -19.439
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -25.793
flat angles P-C4'-P energy: -14.995
tors. eta vs tors. theta energy: -14.256
Dist. restrs. and SS energy: 0.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -226.065082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.065082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.607713 (E_RNA)
where:
Base-Base interactions energy: -136.570
where: short stacking energy: -67.323
Base-Backbone interact. energy: 0.172
local terms energy: -90.210144
where:
bonds (distance) C4'-P energy: -21.135
bonds (distance) P-C4' energy: -18.504
flat angles C4'-P-C4' energy: -22.419
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -18.532
Dist. restrs. and SS energy: 0.543 (S_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: 231
Temperature: 1.300000
Total energy: -212.226005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.226005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.226016 (E_RNA)
where:
Base-Base interactions energy: -128.994
where: short stacking energy: -66.911
Base-Backbone interact. energy: -0.415
local terms energy: -82.816674
where:
bonds (distance) C4'-P energy: -19.062
bonds (distance) P-C4' energy: -20.498
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -15.003
tors. eta vs tors. theta energy: -14.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -191.544669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.544669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.655000 (E_RNA)
where:
Base-Base interactions energy: -111.542
where: short stacking energy: -47.982
Base-Backbone interact. energy: -0.338
local terms energy: -79.775164
where:
bonds (distance) C4'-P energy: -20.385
bonds (distance) P-C4' energy: -24.107
flat angles C4'-P-C4' energy: -9.026
flat angles P-C4'-P energy: -15.341
tors. eta vs tors. theta energy: -10.916
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: 1, replica: 6
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -304.203462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.203462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.203462 (E_RNA)
where:
Base-Base interactions energy: -187.457
where: short stacking energy: -113.438
Base-Backbone interact. energy: -0.043
local terms energy: -116.703100
where:
bonds (distance) C4'-P energy: -19.043
bonds (distance) P-C4' energy: -23.855
flat angles C4'-P-C4' energy: -26.630
flat angles P-C4'-P energy: -16.361
tors. eta vs tors. theta energy: -30.814
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -295.476821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.476821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.509819 (E_RNA)
where:
Base-Base interactions energy: -177.947
where: short stacking energy: -105.892
Base-Backbone interact. energy: -0.509
local terms energy: -117.053602
where:
bonds (distance) C4'-P energy: -21.685
bonds (distance) P-C4' energy: -25.453
flat angles C4'-P-C4' energy: -22.102
flat angles P-C4'-P energy: -18.900
tors. eta vs tors. theta energy: -28.914
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: 232
Temperature: 1.000000
Total energy: -258.647571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.647571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.652226 (E_RNA)
where:
Base-Base interactions energy: -163.769
where: short stacking energy: -84.342
Base-Backbone interact. energy: 1.439
local terms energy: -96.322287
where:
bonds (distance) C4'-P energy: -19.078
bonds (distance) P-C4' energy: -17.874
flat angles C4'-P-C4' energy: -26.619
flat angles P-C4'-P energy: -15.886
tors. eta vs tors. theta energy: -16.865
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: 7
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -259.633893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.633893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.175179 (E_RNA)
where:
Base-Base interactions energy: -160.623
where: short stacking energy: -85.562
Base-Backbone interact. energy: -0.346
local terms energy: -100.205997
where:
bonds (distance) C4'-P energy: -18.800
bonds (distance) P-C4' energy: -20.645
flat angles C4'-P-C4' energy: -17.596
flat angles P-C4'-P energy: -13.966
tors. eta vs tors. theta energy: -29.198
Dist. restrs. and SS energy: 1.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -245.398786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.398786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.598316 (E_RNA)
where:
Base-Base interactions energy: -148.346
where: short stacking energy: -80.321
Base-Backbone interact. energy: 0.849
local terms energy: -98.101739
where:
bonds (distance) C4'-P energy: -22.050
bonds (distance) P-C4' energy: -23.146
flat angles C4'-P-C4' energy: -22.633
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -21.831
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: 10
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -228.412179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.412179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.595636 (E_RNA)
where:
Base-Base interactions energy: -142.203
where: short stacking energy: -73.595
Base-Backbone interact. energy: -0.640
local terms energy: -85.752992
where:
bonds (distance) C4'-P energy: -21.820
bonds (distance) P-C4' energy: -22.863
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: -15.216
tors. eta vs tors. theta energy: -11.090
Dist. restrs. and SS energy: 0.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -231.546887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.546887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.222906 (E_RNA)
where:
Base-Base interactions energy: -153.338
where: short stacking energy: -74.771
Base-Backbone interact. energy: -0.082
local terms energy: -78.802954
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -22.460
flat angles P-C4'-P energy: -6.734
tors. eta vs tors. theta energy: -19.483
Dist. restrs. and SS energy: 0.676 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -202.911797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.911797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.912103 (E_RNA)
where:
Base-Base interactions energy: -121.442
where: short stacking energy: -60.581
Base-Backbone interact. energy: -0.164
local terms energy: -81.305726
where:
bonds (distance) C4'-P energy: -20.012
bonds (distance) P-C4' energy: -22.147
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -15.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -224.592647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.592647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.731732 (E_RNA)
where:
Base-Base interactions energy: -136.555
where: short stacking energy: -73.559
Base-Backbone interact. energy: -0.110
local terms energy: -88.066430
where:
bonds (distance) C4'-P energy: -21.419
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -21.253
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -17.506
Dist. restrs. and SS energy: 0.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -193.640740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.640740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.792383 (E_RNA)
where:
Base-Base interactions energy: -117.238
where: short stacking energy: -51.620
Base-Backbone interact. energy: -0.364
local terms energy: -78.190690
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -21.620
flat angles C4'-P-C4' energy: -17.369
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -14.516
Dist. restrs. and SS energy: 2.152 (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: 6
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -310.098578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.098578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.851013 (E_RNA)
where:
Base-Base interactions energy: -193.273
where: short stacking energy: -104.128
Base-Backbone interact. energy: 0.493
local terms energy: -118.071139
where:
bonds (distance) C4'-P energy: -25.611
bonds (distance) P-C4' energy: -20.589
flat angles C4'-P-C4' energy: -21.350
flat angles P-C4'-P energy: -17.926
tors. eta vs tors. theta energy: -32.596
Dist. restrs. and SS energy: 0.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -296.177512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.177512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.229838 (E_RNA)
where:
Base-Base interactions energy: -173.967
where: short stacking energy: -105.411
Base-Backbone interact. energy: -0.029
local terms energy: -122.233424
where:
bonds (distance) C4'-P energy: -25.299
bonds (distance) P-C4' energy: -25.482
flat angles C4'-P-C4' energy: -23.077
flat angles P-C4'-P energy: -17.100
tors. eta vs tors. theta energy: -31.275
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -282.610017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.610017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.463237 (E_RNA)
where:
Base-Base interactions energy: -174.799
where: short stacking energy: -83.632
Base-Backbone interact. energy: -0.248
local terms energy: -109.415933
where:
bonds (distance) C4'-P energy: -20.907
bonds (distance) P-C4' energy: -26.325
flat angles C4'-P-C4' energy: -26.643
flat angles P-C4'-P energy: -14.424
tors. eta vs tors. theta energy: -21.117
Dist. restrs. and SS energy: 1.853 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -252.259193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.259193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.406302 (E_RNA)
where:
Base-Base interactions energy: -152.228
where: short stacking energy: -76.917
Base-Backbone interact. energy: 0.212
local terms energy: -100.389863
where:
bonds (distance) C4'-P energy: -17.831
bonds (distance) P-C4' energy: -20.908
flat angles C4'-P-C4' energy: -22.006
flat angles P-C4'-P energy: -16.281
tors. eta vs tors. theta energy: -23.363
Dist. restrs. and SS energy: 0.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -238.022026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.022026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.022026 (E_RNA)
where:
Base-Base interactions energy: -142.343
where: short stacking energy: -74.243
Base-Backbone interact. energy: -0.219
local terms energy: -95.460511
where:
bonds (distance) C4'-P energy: -23.242
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -22.685
flat angles P-C4'-P energy: -11.817
tors. eta vs tors. theta energy: -17.520
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -241.661032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.661032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.870993 (E_RNA)
where:
Base-Base interactions energy: -144.623
where: short stacking energy: -83.653
Base-Backbone interact. energy: -0.078
local terms energy: -97.169912
where:
bonds (distance) C4'-P energy: -22.107
bonds (distance) P-C4' energy: -18.459
flat angles C4'-P-C4' energy: -17.361
flat angles P-C4'-P energy: -17.427
tors. eta vs tors. theta energy: -21.816
Dist. restrs. and SS energy: 0.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -232.221604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.221604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.229192 (E_RNA)
where:
Base-Base interactions energy: -138.890
where: short stacking energy: -73.001
Base-Backbone interact. energy: 0.241
local terms energy: -93.580115
where:
bonds (distance) C4'-P energy: -20.074
bonds (distance) P-C4' energy: -25.255
flat angles C4'-P-C4' energy: -19.242
flat angles P-C4'-P energy: -14.469
tors. eta vs tors. theta energy: -14.539
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -225.233138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.233138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.537246 (E_RNA)
where:
Base-Base interactions energy: -133.994
where: short stacking energy: -65.885
Base-Backbone interact. energy: -0.164
local terms energy: -91.378810
where:
bonds (distance) C4'-P energy: -22.516
bonds (distance) P-C4' energy: -18.334
flat angles C4'-P-C4' energy: -22.463
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -17.018
Dist. restrs. and SS energy: 0.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -204.991911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.991911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.991911 (E_RNA)
where:
Base-Base interactions energy: -117.002
where: short stacking energy: -57.529
Base-Backbone interact. energy: -0.497
local terms energy: -87.493271
where:
bonds (distance) C4'-P energy: -21.378
bonds (distance) P-C4' energy: -18.209
flat angles C4'-P-C4' energy: -24.046
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -14.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -193.732241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.732241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.841248 (E_RNA)
where:
Base-Base interactions energy: -121.427
where: short stacking energy: -61.880
Base-Backbone interact. energy: -0.259
local terms energy: -72.154467
where:
bonds (distance) C4'-P energy: -16.237
bonds (distance) P-C4' energy: -20.120
flat angles C4'-P-C4' energy: -19.003
flat angles P-C4'-P energy: -4.913
tors. eta vs tors. theta energy: -11.881
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: 2
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -309.596665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.596665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.719881 (E_RNA)
where:
Base-Base interactions energy: -189.058
where: short stacking energy: -114.280
Base-Backbone interact. energy: -0.047
local terms energy: -120.614932
where:
bonds (distance) C4'-P energy: -19.032
bonds (distance) P-C4' energy: -23.908
flat angles C4'-P-C4' energy: -28.915
flat angles P-C4'-P energy: -17.617
tors. eta vs tors. theta energy: -31.142
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -293.959091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.959091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.959091 (E_RNA)
where:
Base-Base interactions energy: -180.925
where: short stacking energy: -104.179
Base-Backbone interact. energy: -0.036
local terms energy: -112.998134
where:
bonds (distance) C4'-P energy: -22.505
bonds (distance) P-C4' energy: -20.935
flat angles C4'-P-C4' energy: -24.447
flat angles P-C4'-P energy: -16.223
tors. eta vs tors. theta energy: -28.887
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -279.356789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.356789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.822726 (E_RNA)
where:
Base-Base interactions energy: -162.399
where: short stacking energy: -94.127
Base-Backbone interact. energy: -0.006
local terms energy: -118.417633
where:
bonds (distance) C4'-P energy: -23.176
bonds (distance) P-C4' energy: -26.740
flat angles C4'-P-C4' energy: -21.972
flat angles P-C4'-P energy: -18.556
tors. eta vs tors. theta energy: -27.974
Dist. restrs. and SS energy: 1.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -256.451245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.451245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.529301 (E_RNA)
where:
Base-Base interactions energy: -154.228
where: short stacking energy: -88.001
Base-Backbone interact. energy: -0.848
local terms energy: -101.454020
where:
bonds (distance) C4'-P energy: -17.389
bonds (distance) P-C4' energy: -22.610
flat angles C4'-P-C4' energy: -25.072
flat angles P-C4'-P energy: -18.247
tors. eta vs tors. theta energy: -18.136
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: 9
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -250.357649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.357649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.421834 (E_RNA)
where:
Base-Base interactions energy: -144.583
where: short stacking energy: -75.369
Base-Backbone interact. energy: -0.233
local terms energy: -105.605588
where:
bonds (distance) C4'-P energy: -24.328
bonds (distance) P-C4' energy: -19.051
flat angles C4'-P-C4' energy: -25.846
flat angles P-C4'-P energy: -17.918
tors. eta vs tors. theta energy: -18.464
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -230.672177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.672177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.906484 (E_RNA)
where:
Base-Base interactions energy: -144.806
where: short stacking energy: -76.236
Base-Backbone interact. energy: -0.352
local terms energy: -85.748644
where:
bonds (distance) C4'-P energy: -15.991
bonds (distance) P-C4' energy: -20.895
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -14.219
tors. eta vs tors. theta energy: -18.890
Dist. restrs. and SS energy: 0.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -239.844182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.844182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.012994 (E_RNA)
where:
Base-Base interactions energy: -155.544
where: short stacking energy: -83.142
Base-Backbone interact. energy: -0.055
local terms energy: -84.414268
where:
bonds (distance) C4'-P energy: -18.695
bonds (distance) P-C4' energy: -19.249
flat angles C4'-P-C4' energy: -19.281
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -17.760
Dist. restrs. and SS energy: 0.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -215.834087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.834087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.834087 (E_RNA)
where:
Base-Base interactions energy: -129.844
where: short stacking energy: -64.750
Base-Backbone interact. energy: -0.189
local terms energy: -85.801276
where:
bonds (distance) C4'-P energy: -19.069
bonds (distance) P-C4' energy: -21.908
flat angles C4'-P-C4' energy: -13.028
flat angles P-C4'-P energy: -14.192
tors. eta vs tors. theta energy: -17.605
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -196.830434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.830434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.980203 (E_RNA)
where:
Base-Base interactions energy: -116.590
where: short stacking energy: -49.231
Base-Backbone interact. energy: -0.780
local terms energy: -79.610658
where:
bonds (distance) C4'-P energy: -21.448
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -14.125
tors. eta vs tors. theta energy: -9.852
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: 10, replica: 4
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -189.667746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.667746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.220945 (E_RNA)
where:
Base-Base interactions energy: -118.278
where: short stacking energy: -57.509
Base-Backbone interact. energy: -0.493
local terms energy: -71.450172
where:
bonds (distance) C4'-P energy: -17.868
bonds (distance) P-C4' energy: -22.136
flat angles C4'-P-C4' energy: -15.674
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -6.158
Dist. restrs. and SS energy: 0.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -301.974669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.974669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.060557 (E_RNA)
where:
Base-Base interactions energy: -196.268
where: short stacking energy: -103.099
Base-Backbone interact. energy: -0.108
local terms energy: -106.683878
where:
bonds (distance) C4'-P energy: -17.578
bonds (distance) P-C4' energy: -23.024
flat angles C4'-P-C4' energy: -21.780
flat angles P-C4'-P energy: -15.614
tors. eta vs tors. theta energy: -28.688
Dist. restrs. and SS energy: 1.086 (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: 235
Temperature: 0.950000
Total energy: -294.928463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.928463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.950579 (E_RNA)
where:
Base-Base interactions energy: -185.032
where: short stacking energy: -110.177
Base-Backbone interact. energy: -1.569
local terms energy: -109.350439
where:
bonds (distance) C4'-P energy: -18.587
bonds (distance) P-C4' energy: -20.489
flat angles C4'-P-C4' energy: -25.355
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -35.443
Dist. restrs. and SS energy: 1.022 (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: 6
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -259.161968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.161968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.397128 (E_RNA)
where:
Base-Base interactions energy: -159.120
where: short stacking energy: -95.451
Base-Backbone interact. energy: 0.219
local terms energy: -100.496664
where:
bonds (distance) C4'-P energy: -21.101
bonds (distance) P-C4' energy: -21.414
flat angles C4'-P-C4' energy: -19.889
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -27.846
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: 4, replica: 9
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -260.798666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.798666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.803770 (E_RNA)
where:
Base-Base interactions energy: -158.146
where: short stacking energy: -88.352
Base-Backbone interact. energy: -0.238
local terms energy: -102.419788
where:
bonds (distance) C4'-P energy: -21.411
bonds (distance) P-C4' energy: -21.108
flat angles C4'-P-C4' energy: -20.525
flat angles P-C4'-P energy: -17.209
tors. eta vs tors. theta energy: -22.167
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -242.661369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.661369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.147246 (E_RNA)
where:
Base-Base interactions energy: -153.228
where: short stacking energy: -82.196
Base-Backbone interact. energy: -0.977
local terms energy: -88.942149
where:
bonds (distance) C4'-P energy: -19.657
bonds (distance) P-C4' energy: -22.429
flat angles C4'-P-C4' energy: -11.017
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -23.924
Dist. restrs. and SS energy: 0.486 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -251.183619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.183619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.554259 (E_RNA)
where:
Base-Base interactions energy: -154.072
where: short stacking energy: -76.185
Base-Backbone interact. energy: -0.246
local terms energy: -98.236256
where:
bonds (distance) C4'-P energy: -19.818
bonds (distance) P-C4' energy: -23.506
flat angles C4'-P-C4' energy: -18.515
flat angles P-C4'-P energy: -19.046
tors. eta vs tors. theta energy: -17.352
Dist. restrs. and SS energy: 1.371 (S_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: 235
Temperature: 1.200000
Total energy: -215.681089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.681089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.832448 (E_RNA)
where:
Base-Base interactions energy: -129.366
where: short stacking energy: -68.835
Base-Backbone interact. energy: -0.275
local terms energy: -86.191137
where:
bonds (distance) C4'-P energy: -19.919
bonds (distance) P-C4' energy: -21.271
flat angles C4'-P-C4' energy: -18.451
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -14.147
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: 8, replica: 10
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -226.883087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.883087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.460315 (E_RNA)
where:
Base-Base interactions energy: -131.788
where: short stacking energy: -70.890
Base-Backbone interact. energy: -0.036
local terms energy: -95.636591
where:
bonds (distance) C4'-P energy: -23.284
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -21.542
flat angles P-C4'-P energy: -14.136
tors. eta vs tors. theta energy: -18.730
Dist. restrs. and SS energy: 0.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -196.310806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.310806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.333271 (E_RNA)
where:
Base-Base interactions energy: -122.836
where: short stacking energy: -62.895
Base-Backbone interact. energy: -0.199
local terms energy: -73.298055
where:
bonds (distance) C4'-P energy: -18.439
bonds (distance) P-C4' energy: -15.989
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -13.979
tors. eta vs tors. theta energy: -9.145
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -211.434586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.434586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.546654 (E_RNA)
where:
Base-Base interactions energy: -130.609
where: short stacking energy: -65.100
Base-Backbone interact. energy: -0.299
local terms energy: -80.638558
where:
bonds (distance) C4'-P energy: -18.492
bonds (distance) P-C4' energy: -22.778
flat angles C4'-P-C4' energy: -12.448
flat angles P-C4'-P energy: -13.738
tors. eta vs tors. theta energy: -13.183
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: 2
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -305.415019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.415019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.444999 (E_RNA)
where:
Base-Base interactions energy: -193.654
where: short stacking energy: -98.269
Base-Backbone interact. energy: -0.164
local terms energy: -111.626699
where:
bonds (distance) C4'-P energy: -20.144
bonds (distance) P-C4' energy: -22.012
flat angles C4'-P-C4' energy: -24.345
flat angles P-C4'-P energy: -15.179
tors. eta vs tors. theta energy: -29.946
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: 3
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -293.656360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.656360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.656360 (E_RNA)
where:
Base-Base interactions energy: -172.562
where: short stacking energy: -95.209
Base-Backbone interact. energy: -0.190
local terms energy: -120.904945
where:
bonds (distance) C4'-P energy: -22.282
bonds (distance) P-C4' energy: -24.748
flat angles C4'-P-C4' energy: -25.818
flat angles P-C4'-P energy: -18.233
tors. eta vs tors. theta energy: -29.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -262.096355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.096355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.138888 (E_RNA)
where:
Base-Base interactions energy: -149.766
where: short stacking energy: -81.383
Base-Backbone interact. energy: -0.243
local terms energy: -112.130049
where:
bonds (distance) C4'-P energy: -24.119
bonds (distance) P-C4' energy: -24.272
flat angles C4'-P-C4' energy: -22.354
flat angles P-C4'-P energy: -19.014
tors. eta vs tors. theta energy: -22.371
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -271.606026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.606026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.642765 (E_RNA)
where:
Base-Base interactions energy: -170.124
where: short stacking energy: -100.643
Base-Backbone interact. energy: -0.094
local terms energy: -101.425433
where:
bonds (distance) C4'-P energy: -19.045
bonds (distance) P-C4' energy: -22.257
flat angles C4'-P-C4' energy: -22.764
flat angles P-C4'-P energy: -14.523
tors. eta vs tors. theta energy: -22.837
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -250.661536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.661536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.663294 (E_RNA)
where:
Base-Base interactions energy: -159.280
where: short stacking energy: -83.812
Base-Backbone interact. energy: -0.483
local terms energy: -91.900413
where:
bonds (distance) C4'-P energy: -23.333
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -22.845
flat angles P-C4'-P energy: -15.307
tors. eta vs tors. theta energy: -17.433
Dist. restrs. and SS energy: 1.002 (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: 7
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -242.971499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.971499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.981909 (E_RNA)
where:
Base-Base interactions energy: -150.899
where: short stacking energy: -72.190
Base-Backbone interact. energy: -0.263
local terms energy: -91.820118
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -24.113
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -16.697
tors. eta vs tors. theta energy: -19.187
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: 236
Temperature: 1.200000
Total energy: -222.543030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.543030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.564874 (E_RNA)
where:
Base-Base interactions energy: -127.181
where: short stacking energy: -58.276
Base-Backbone interact. energy: -0.247
local terms energy: -95.137315
where:
bonds (distance) C4'-P energy: -19.485
bonds (distance) P-C4' energy: -20.626
flat angles C4'-P-C4' energy: -23.121
flat angles P-C4'-P energy: -12.980
tors. eta vs tors. theta energy: -18.926
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: 5
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -212.738722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.738722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.775563 (E_RNA)
where:
Base-Base interactions energy: -123.509
where: short stacking energy: -60.628
Base-Backbone interact. energy: -0.087
local terms energy: -89.180214
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -21.778
flat angles C4'-P-C4' energy: -22.505
flat angles P-C4'-P energy: -15.022
tors. eta vs tors. theta energy: -14.015
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: 236
Temperature: 1.300000
Total energy: -209.489955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.489955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.516016 (E_RNA)
where:
Base-Base interactions energy: -122.319
where: short stacking energy: -70.842
Base-Backbone interact. energy: 0.400
local terms energy: -87.597913
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -20.016
flat angles C4'-P-C4' energy: -18.123
flat angles P-C4'-P energy: -16.425
tors. eta vs tors. theta energy: -15.484
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -196.981594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.981594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.254322 (E_RNA)
where:
Base-Base interactions energy: -128.347
where: short stacking energy: -59.828
Base-Backbone interact. energy: 0.877
local terms energy: -69.784423
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -16.010
flat angles C4'-P-C4' energy: -17.840
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -13.084
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: 1, replica: 2
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -307.464199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.464199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.813390 (E_RNA)
where:
Base-Base interactions energy: -187.945
where: short stacking energy: -108.387
Base-Backbone interact. energy: -0.004
local terms energy: -119.864646
where:
bonds (distance) C4'-P energy: -23.204
bonds (distance) P-C4' energy: -22.940
flat angles C4'-P-C4' energy: -26.071
flat angles P-C4'-P energy: -15.788
tors. eta vs tors. theta energy: -31.862
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: 2, replica: 3
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -300.105142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.105142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.112489 (E_RNA)
where:
Base-Base interactions energy: -187.832
where: short stacking energy: -112.623
Base-Backbone interact. energy: -0.087
local terms energy: -112.193757
where:
bonds (distance) C4'-P energy: -19.946
bonds (distance) P-C4' energy: -23.085
flat angles C4'-P-C4' energy: -22.960
flat angles P-C4'-P energy: -16.205
tors. eta vs tors. theta energy: -29.998
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: 237
Temperature: 1.000000
Total energy: -269.612977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.612977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.910971 (E_RNA)
where:
Base-Base interactions energy: -168.754
where: short stacking energy: -79.290
Base-Backbone interact. energy: -0.104
local terms energy: -101.053457
where:
bonds (distance) C4'-P energy: -22.230
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -25.343
flat angles P-C4'-P energy: -16.225
tors. eta vs tors. theta energy: -19.911
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: 4, replica: 6
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -258.601361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.601361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.703649 (E_RNA)
where:
Base-Base interactions energy: -163.915
where: short stacking energy: -89.047
Base-Backbone interact. energy: -0.305
local terms energy: -94.483688
where:
bonds (distance) C4'-P energy: -23.127
bonds (distance) P-C4' energy: -19.530
flat angles C4'-P-C4' energy: -19.896
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: -18.507
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: 1
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -249.990196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.990196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.362240 (E_RNA)
where:
Base-Base interactions energy: -146.540
where: short stacking energy: -76.681
Base-Backbone interact. energy: -0.340
local terms energy: -103.481675
where:
bonds (distance) C4'-P energy: -23.783
bonds (distance) P-C4' energy: -24.685
flat angles C4'-P-C4' energy: -22.047
flat angles P-C4'-P energy: -15.939
tors. eta vs tors. theta energy: -17.028
Dist. restrs. and SS energy: 0.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -229.488175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.488175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.530655 (E_RNA)
where:
Base-Base interactions energy: -147.991
where: short stacking energy: -73.647
Base-Backbone interact. energy: -0.722
local terms energy: -80.817850
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -21.450
flat angles C4'-P-C4' energy: -22.548
flat angles P-C4'-P energy: -12.185
tors. eta vs tors. theta energy: -11.194
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: 7
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -235.864769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.864769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.412410 (E_RNA)
where:
Base-Base interactions energy: -139.763
where: short stacking energy: -70.897
Base-Backbone interact. energy: 0.190
local terms energy: -97.839256
where:
bonds (distance) C4'-P energy: -20.282
bonds (distance) P-C4' energy: -23.203
flat angles C4'-P-C4' energy: -21.343
flat angles P-C4'-P energy: -14.124
tors. eta vs tors. theta energy: -18.887
Dist. restrs. and SS energy: 1.548 (S_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: 237
Temperature: 1.250000
Total energy: -199.006392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.006392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.059091 (E_RNA)
where:
Base-Base interactions energy: -120.165
where: short stacking energy: -56.920
Base-Backbone interact. energy: 0.772
local terms energy: -79.666510
where:
bonds (distance) C4'-P energy: -21.358
bonds (distance) P-C4' energy: -18.964
flat angles C4'-P-C4' energy: -18.352
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: -7.646
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: 4
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -187.657070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.657070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.735969 (E_RNA)
where:
Base-Base interactions energy: -116.950
where: short stacking energy: -53.386
Base-Backbone interact. energy: -0.153
local terms energy: -70.632645
where:
bonds (distance) C4'-P energy: -15.627
bonds (distance) P-C4' energy: -18.776
flat angles C4'-P-C4' energy: -18.158
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -8.360
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -204.231583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.231583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.832132 (E_RNA)
where:
Base-Base interactions energy: -120.968
where: short stacking energy: -65.428
Base-Backbone interact. energy: -0.192
local terms energy: -83.672666
where:
bonds (distance) C4'-P energy: -15.777
bonds (distance) P-C4' energy: -22.720
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -16.584
Dist. restrs. and SS energy: 0.601 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -298.346504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.346504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.352007 (E_RNA)
where:
Base-Base interactions energy: -181.130
where: short stacking energy: -100.069
Base-Backbone interact. energy: -0.141
local terms energy: -117.080863
where:
bonds (distance) C4'-P energy: -16.985
bonds (distance) P-C4' energy: -23.496
flat angles C4'-P-C4' energy: -26.858
flat angles P-C4'-P energy: -18.819
tors. eta vs tors. theta energy: -30.924
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -313.269171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.269171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.147351 (E_RNA)
where:
Base-Base interactions energy: -198.644
where: short stacking energy: -122.671
Base-Backbone interact. energy: -0.031
local terms energy: -116.472734
where:
bonds (distance) C4'-P energy: -21.746
bonds (distance) P-C4' energy: -23.146
flat angles C4'-P-C4' energy: -22.081
flat angles P-C4'-P energy: -15.989
tors. eta vs tors. theta energy: -33.510
Dist. restrs. and SS energy: 1.878 (S_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: 238
Temperature: 1.000000
Total energy: -279.068065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.068065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.882670 (E_RNA)
where:
Base-Base interactions energy: -167.317
where: short stacking energy: -93.720
Base-Backbone interact. energy: -1.106
local terms energy: -111.459715
where:
bonds (distance) C4'-P energy: -22.294
bonds (distance) P-C4' energy: -25.364
flat angles C4'-P-C4' energy: -26.011
flat angles P-C4'-P energy: -13.811
tors. eta vs tors. theta energy: -23.979
Dist. restrs. and SS energy: 0.815 (S_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: 238
Temperature: 1.050000
Total energy: -258.736704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.736704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.739999 (E_RNA)
where:
Base-Base interactions energy: -149.738
where: short stacking energy: -81.277
Base-Backbone interact. energy: -0.722
local terms energy: -108.279274
where:
bonds (distance) C4'-P energy: -19.482
bonds (distance) P-C4' energy: -24.744
flat angles C4'-P-C4' energy: -24.246
flat angles P-C4'-P energy: -14.533
tors. eta vs tors. theta energy: -25.274
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: 238
Temperature: 1.100000
Total energy: -250.384266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.384266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.462493 (E_RNA)
where:
Base-Base interactions energy: -150.162
where: short stacking energy: -88.617
Base-Backbone interact. energy: -0.002
local terms energy: -100.298369
where:
bonds (distance) C4'-P energy: -21.411
bonds (distance) P-C4' energy: -21.904
flat angles C4'-P-C4' energy: -23.515
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -22.010
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: 238
Temperature: 1.150000
Total energy: -227.608986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.608986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.709685 (E_RNA)
where:
Base-Base interactions energy: -137.202
where: short stacking energy: -69.681
Base-Backbone interact. energy: -0.104
local terms energy: -90.404027
where:
bonds (distance) C4'-P energy: -23.047
bonds (distance) P-C4' energy: -17.643
flat angles C4'-P-C4' energy: -20.758
flat angles P-C4'-P energy: -12.770
tors. eta vs tors. theta energy: -16.185
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: 7
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -225.933900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.933900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.933900 (E_RNA)
where:
Base-Base interactions energy: -143.276
where: short stacking energy: -63.658
Base-Backbone interact. energy: -0.565
local terms energy: -82.093360
where:
bonds (distance) C4'-P energy: -20.635
bonds (distance) P-C4' energy: -18.973
flat angles C4'-P-C4' energy: -19.380
flat angles P-C4'-P energy: -13.678
tors. eta vs tors. theta energy: -9.428
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -208.698959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.698959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.987310 (E_RNA)
where:
Base-Base interactions energy: -122.160
where: short stacking energy: -63.199
Base-Backbone interact. energy: -0.262
local terms energy: -86.565754
where:
bonds (distance) C4'-P energy: -22.108
bonds (distance) P-C4' energy: -19.322
flat angles C4'-P-C4' energy: -18.002
flat angles P-C4'-P energy: -13.991
tors. eta vs tors. theta energy: -13.142
Dist. restrs. and SS energy: 0.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -210.539562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.539562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.918188 (E_RNA)
where:
Base-Base interactions energy: -124.658
where: short stacking energy: -60.882
Base-Backbone interact. energy: -0.085
local terms energy: -86.175455
where:
bonds (distance) C4'-P energy: -19.173
bonds (distance) P-C4' energy: -19.426
flat angles C4'-P-C4' energy: -19.144
flat angles P-C4'-P energy: -18.335
tors. eta vs tors. theta energy: -10.099
Dist. restrs. and SS energy: 0.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -192.363432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.363432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.549617 (E_RNA)
where:
Base-Base interactions energy: -116.186
where: short stacking energy: -50.868
Base-Backbone interact. energy: 0.107
local terms energy: -76.471524
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -18.653
flat angles C4'-P-C4' energy: -21.645
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: -11.548
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: 1, replica: 3
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -311.371066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.371066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.383228 (E_RNA)
where:
Base-Base interactions energy: -190.511
where: short stacking energy: -109.637
Base-Backbone interact. energy: -0.025
local terms energy: -120.847016
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -25.495
flat angles C4'-P-C4' energy: -25.510
flat angles P-C4'-P energy: -17.711
tors. eta vs tors. theta energy: -35.951
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: 239
Temperature: 0.950000
Total energy: -290.465021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.465021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.638773 (E_RNA)
where:
Base-Base interactions energy: -176.999
where: short stacking energy: -100.494
Base-Backbone interact. energy: -0.481
local terms energy: -113.158872
where:
bonds (distance) C4'-P energy: -21.148
bonds (distance) P-C4' energy: -26.851
flat angles C4'-P-C4' energy: -22.353
flat angles P-C4'-P energy: -19.182
tors. eta vs tors. theta energy: -23.624
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: 2
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -291.281504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.281504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.895380 (E_RNA)
where:
Base-Base interactions energy: -178.443
where: short stacking energy: -100.279
Base-Backbone interact. energy: 0.729
local terms energy: -115.181375
where:
bonds (distance) C4'-P energy: -23.755
bonds (distance) P-C4' energy: -23.807
flat angles C4'-P-C4' energy: -24.153
flat angles P-C4'-P energy: -16.814
tors. eta vs tors. theta energy: -26.653
Dist. restrs. and SS energy: 1.614 (S_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: 239
Temperature: 1.050000
Total energy: -268.814708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.814708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.628640 (E_RNA)
where:
Base-Base interactions energy: -164.454
where: short stacking energy: -96.051
Base-Backbone interact. energy: -0.108
local terms energy: -106.066513
where:
bonds (distance) C4'-P energy: -19.736
bonds (distance) P-C4' energy: -23.340
flat angles C4'-P-C4' energy: -24.964
flat angles P-C4'-P energy: -14.812
tors. eta vs tors. theta energy: -23.215
Dist. restrs. and SS energy: 1.814 (S_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: 239
Temperature: 1.100000
Total energy: -269.220125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.220125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.220125 (E_RNA)
where:
Base-Base interactions energy: -155.624
where: short stacking energy: -92.020
Base-Backbone interact. energy: -0.043
local terms energy: -113.553295
where:
bonds (distance) C4'-P energy: -20.957
bonds (distance) P-C4' energy: -21.674
flat angles C4'-P-C4' energy: -25.974
flat angles P-C4'-P energy: -17.200
tors. eta vs tors. theta energy: -27.749
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -247.184779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.184779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.214171 (E_RNA)
where:
Base-Base interactions energy: -151.000
where: short stacking energy: -81.830
Base-Backbone interact. energy: -0.420
local terms energy: -95.793788
where:
bonds (distance) C4'-P energy: -24.268
bonds (distance) P-C4' energy: -19.969
flat angles C4'-P-C4' energy: -20.519
flat angles P-C4'-P energy: -14.800
tors. eta vs tors. theta energy: -16.238
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: 239
Temperature: 1.200000
Total energy: -220.996514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.996514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.485744 (E_RNA)
where:
Base-Base interactions energy: -130.602
where: short stacking energy: -60.805
Base-Backbone interact. energy: -0.065
local terms energy: -90.818456
where:
bonds (distance) C4'-P energy: -20.068
bonds (distance) P-C4' energy: -22.064
flat angles C4'-P-C4' energy: -19.787
flat angles P-C4'-P energy: -13.471
tors. eta vs tors. theta energy: -15.429
Dist. restrs. and SS energy: 0.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -211.332386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.332386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.356108 (E_RNA)
where:
Base-Base interactions energy: -117.633
where: short stacking energy: -57.337
Base-Backbone interact. energy: -0.083
local terms energy: -93.639434
where:
bonds (distance) C4'-P energy: -17.032
bonds (distance) P-C4' energy: -21.150
flat angles C4'-P-C4' energy: -23.565
flat angles P-C4'-P energy: -19.527
tors. eta vs tors. theta energy: -12.366
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: 239
Temperature: 1.300000
Total energy: -201.457207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.457207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.511777 (E_RNA)
where:
Base-Base interactions energy: -118.253
where: short stacking energy: -56.680
Base-Backbone interact. energy: -0.746
local terms energy: -82.513164
where:
bonds (distance) C4'-P energy: -17.959
bonds (distance) P-C4' energy: -24.959
flat angles C4'-P-C4' energy: -21.747
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -8.722
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -203.919330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.919330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.377753 (E_RNA)
where:
Base-Base interactions energy: -126.482
where: short stacking energy: -64.046
Base-Backbone interact. energy: -0.673
local terms energy: -77.222656
where:
bonds (distance) C4'-P energy: -20.426
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -13.124
tors. eta vs tors. theta energy: -12.644
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: 1, replica: 3
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -308.097040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.097040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.678066 (E_RNA)
where:
Base-Base interactions energy: -195.727
where: short stacking energy: -110.946
Base-Backbone interact. energy: -0.053
local terms energy: -114.898441
where:
bonds (distance) C4'-P energy: -20.696
bonds (distance) P-C4' energy: -25.226
flat angles C4'-P-C4' energy: -23.006
flat angles P-C4'-P energy: -16.640
tors. eta vs tors. theta energy: -29.332
Dist. restrs. and SS energy: 2.581 (S_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: 240
Temperature: 0.950000
Total energy: -279.833368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.833368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.450959 (E_RNA)
where:
Base-Base interactions energy: -172.966
where: short stacking energy: -91.901
Base-Backbone interact. energy: -0.020
local terms energy: -108.465466
where:
bonds (distance) C4'-P energy: -24.402
bonds (distance) P-C4' energy: -22.852
flat angles C4'-P-C4' energy: -20.138
flat angles P-C4'-P energy: -17.689
tors. eta vs tors. theta energy: -23.385
Dist. restrs. and SS energy: 1.618 (S_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: 240
Temperature: 1.000000
Total energy: -266.244244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.244244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.311693 (E_RNA)
where:
Base-Base interactions energy: -164.628
where: short stacking energy: -84.170
Base-Backbone interact. energy: -0.180
local terms energy: -101.503364
where:
bonds (distance) C4'-P energy: -18.270
bonds (distance) P-C4' energy: -22.852
flat angles C4'-P-C4' energy: -23.222
flat angles P-C4'-P energy: -16.376
tors. eta vs tors. theta energy: -20.782
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: 2
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -265.747071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.747071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.773956 (E_RNA)
where:
Base-Base interactions energy: -160.688
where: short stacking energy: -100.171
Base-Backbone interact. energy: -0.010
local terms energy: -105.076335
where:
bonds (distance) C4'-P energy: -19.728
bonds (distance) P-C4' energy: -20.605
flat angles C4'-P-C4' energy: -20.619
flat angles P-C4'-P energy: -14.759
tors. eta vs tors. theta energy: -29.365
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: 240
Temperature: 1.100000
Total energy: -261.028751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.028751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.028751 (E_RNA)
where:
Base-Base interactions energy: -154.486
where: short stacking energy: -89.177
Base-Backbone interact. energy: -0.003
local terms energy: -106.540345
where:
bonds (distance) C4'-P energy: -23.151
bonds (distance) P-C4' energy: -23.557
flat angles C4'-P-C4' energy: -19.869
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -27.899
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -254.295777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.295777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.976169 (E_RNA)
where:
Base-Base interactions energy: -151.106
where: short stacking energy: -76.361
Base-Backbone interact. energy: -0.013
local terms energy: -103.856576
where:
bonds (distance) C4'-P energy: -17.288
bonds (distance) P-C4' energy: -22.212
flat angles C4'-P-C4' energy: -19.955
flat angles P-C4'-P energy: -16.479
tors. eta vs tors. theta energy: -27.922
Dist. restrs. and SS energy: 0.680 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -241.782112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.782112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.956652 (E_RNA)
where:
Base-Base interactions energy: -147.123
where: short stacking energy: -77.072
Base-Backbone interact. energy: -0.169
local terms energy: -94.664090
where:
bonds (distance) C4'-P energy: -21.197
bonds (distance) P-C4' energy: -19.518
flat angles C4'-P-C4' energy: -20.470
flat angles P-C4'-P energy: -12.887
tors. eta vs tors. theta energy: -20.593
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: 8
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -222.581766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.581766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.639917 (E_RNA)
where:
Base-Base interactions energy: -139.458
where: short stacking energy: -71.347
Base-Backbone interact. energy: 0.519
local terms energy: -83.700125
where:
bonds (distance) C4'-P energy: -17.138
bonds (distance) P-C4' energy: -19.666
flat angles C4'-P-C4' energy: -22.434
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -16.731
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: 240
Temperature: 1.300000
Total energy: -219.063229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.063229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.066991 (E_RNA)
where:
Base-Base interactions energy: -135.408
where: short stacking energy: -63.668
Base-Backbone interact. energy: 1.855
local terms energy: -85.514240
where:
bonds (distance) C4'-P energy: -21.232
bonds (distance) P-C4' energy: -22.653
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -12.690
tors. eta vs tors. theta energy: -13.584
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -205.077705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.077705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.448338 (E_RNA)
where:
Base-Base interactions energy: -118.276
where: short stacking energy: -52.006
Base-Backbone interact. energy: -0.217
local terms energy: -86.955829
where:
bonds (distance) C4'-P energy: -24.240
bonds (distance) P-C4' energy: -21.746
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -16.102
tors. eta vs tors. theta energy: -11.039
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: 1, replica: 3
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -295.680093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.680093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.823642 (E_RNA)
where:
Base-Base interactions energy: -183.577
where: short stacking energy: -109.540
Base-Backbone interact. energy: -0.029
local terms energy: -113.218385
where:
bonds (distance) C4'-P energy: -17.487
bonds (distance) P-C4' energy: -26.622
flat angles C4'-P-C4' energy: -23.940
flat angles P-C4'-P energy: -15.242
tors. eta vs tors. theta energy: -29.927
Dist. restrs. and SS energy: 1.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -298.237068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.237068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.269628 (E_RNA)
where:
Base-Base interactions energy: -187.374
where: short stacking energy: -100.730
Base-Backbone interact. energy: -1.187
local terms energy: -109.708728
where:
bonds (distance) C4'-P energy: -21.742
bonds (distance) P-C4' energy: -23.014
flat angles C4'-P-C4' energy: -23.051
flat angles P-C4'-P energy: -15.629
tors. eta vs tors. theta energy: -26.273
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: 241
Temperature: 1.000000
Total energy: -261.953615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.953615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.835148 (E_RNA)
where:
Base-Base interactions energy: -164.892
where: short stacking energy: -83.541
Base-Backbone interact. energy: 0.921
local terms energy: -98.863372
where:
bonds (distance) C4'-P energy: -22.167
bonds (distance) P-C4' energy: -23.261
flat angles C4'-P-C4' energy: -21.633
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -19.384
Dist. restrs. and SS energy: 0.882 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -250.642740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.642740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.772833 (E_RNA)
where:
Base-Base interactions energy: -150.114
where: short stacking energy: -82.705
Base-Backbone interact. energy: -0.149
local terms energy: -100.510020
where:
bonds (distance) C4'-P energy: -21.214
bonds (distance) P-C4' energy: -20.951
flat angles C4'-P-C4' energy: -20.977
flat angles P-C4'-P energy: -16.818
tors. eta vs tors. theta energy: -20.550
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: 241
Temperature: 1.100000
Total energy: -244.605486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.605486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.650766 (E_RNA)
where:
Base-Base interactions energy: -147.607
where: short stacking energy: -77.758
Base-Backbone interact. energy: 2.335
local terms energy: -99.378462
where:
bonds (distance) C4'-P energy: -23.450
bonds (distance) P-C4' energy: -23.507
flat angles C4'-P-C4' energy: -20.539
flat angles P-C4'-P energy: -15.453
tors. eta vs tors. theta energy: -16.429
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -248.572440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.572440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.707107 (E_RNA)
where:
Base-Base interactions energy: -152.140
where: short stacking energy: -87.047
Base-Backbone interact. energy: -0.113
local terms energy: -96.453750
where:
bonds (distance) C4'-P energy: -18.735
bonds (distance) P-C4' energy: -21.448
flat angles C4'-P-C4' energy: -18.947
flat angles P-C4'-P energy: -15.238
tors. eta vs tors. theta energy: -22.086
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: 7
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -225.299183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.299183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.620306 (E_RNA)
where:
Base-Base interactions energy: -142.319
where: short stacking energy: -63.561
Base-Backbone interact. energy: 0.412
local terms energy: -83.713361
where:
bonds (distance) C4'-P energy: -16.841
bonds (distance) P-C4' energy: -19.418
flat angles C4'-P-C4' energy: -23.101
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -15.260
Dist. restrs. and SS energy: 0.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -209.221846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.221846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.237649 (E_RNA)
where:
Base-Base interactions energy: -124.109
where: short stacking energy: -53.087
Base-Backbone interact. energy: -0.616
local terms energy: -84.512992
where:
bonds (distance) C4'-P energy: -25.886
bonds (distance) P-C4' energy: -22.520
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -13.075
tors. eta vs tors. theta energy: -7.795
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: 241
Temperature: 1.300000
Total energy: -214.259625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.259625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.316061 (E_RNA)
where:
Base-Base interactions energy: -136.738
where: short stacking energy: -67.603
Base-Backbone interact. energy: 0.474
local terms energy: -78.051963
where:
bonds (distance) C4'-P energy: -19.258
bonds (distance) P-C4' energy: -21.017
flat angles C4'-P-C4' energy: -20.993
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: -4.188
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -204.604733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.604733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.115518 (E_RNA)
where:
Base-Base interactions energy: -129.011
where: short stacking energy: -61.578
Base-Backbone interact. energy: -0.354
local terms energy: -75.750728
where:
bonds (distance) C4'-P energy: -20.837
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -14.817
Dist. restrs. and SS energy: 0.511 (S_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: 242
Temperature: 0.900000
Total energy: -302.735146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.735146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.956144 (E_RNA)
where:
Base-Base interactions energy: -191.741
where: short stacking energy: -101.258
Base-Backbone interact. energy: -0.020
local terms energy: -112.195285
where:
bonds (distance) C4'-P energy: -20.694
bonds (distance) P-C4' energy: -24.235
flat angles C4'-P-C4' energy: -22.699
flat angles P-C4'-P energy: -14.553
tors. eta vs tors. theta energy: -30.014
Dist. restrs. and SS energy: 1.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -315.556556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.556556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.615944 (E_RNA)
where:
Base-Base interactions energy: -193.209
where: short stacking energy: -117.653
Base-Backbone interact. energy: -0.002
local terms energy: -122.405475
where:
bonds (distance) C4'-P energy: -21.652
bonds (distance) P-C4' energy: -20.271
flat angles C4'-P-C4' energy: -28.578
flat angles P-C4'-P energy: -15.994
tors. eta vs tors. theta energy: -35.911
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: 242
Temperature: 1.000000
Total energy: -269.881719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.881719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.133501 (E_RNA)
where:
Base-Base interactions energy: -154.890
where: short stacking energy: -80.685
Base-Backbone interact. energy: -0.061
local terms energy: -115.182155
where:
bonds (distance) C4'-P energy: -21.160
bonds (distance) P-C4' energy: -26.253
flat angles C4'-P-C4' energy: -21.277
flat angles P-C4'-P energy: -18.479
tors. eta vs tors. theta energy: -28.012
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: 4, replica: 9
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -269.582525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.582525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.357765 (E_RNA)
where:
Base-Base interactions energy: -173.349
where: short stacking energy: -103.061
Base-Backbone interact. energy: 0.410
local terms energy: -98.418880
where:
bonds (distance) C4'-P energy: -20.076
bonds (distance) P-C4' energy: -22.515
flat angles C4'-P-C4' energy: -19.477
flat angles P-C4'-P energy: -12.611
tors. eta vs tors. theta energy: -23.740
Dist. restrs. and SS energy: 1.775 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -220.788813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.788813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.809604 (E_RNA)
where:
Base-Base interactions energy: -139.669
where: short stacking energy: -73.297
Base-Backbone interact. energy: -0.344
local terms energy: -80.797344
where:
bonds (distance) C4'-P energy: -18.472
bonds (distance) P-C4' energy: -19.842
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -15.139
tors. eta vs tors. theta energy: -11.894
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: 1
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -234.825187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.825187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.828071 (E_RNA)
where:
Base-Base interactions energy: -134.189
where: short stacking energy: -69.257
Base-Backbone interact. energy: -0.019
local terms energy: -100.620913
where:
bonds (distance) C4'-P energy: -23.879
bonds (distance) P-C4' energy: -22.223
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -20.400
tors. eta vs tors. theta energy: -16.759
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: 4
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -233.574056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.574056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.483947 (E_RNA)
where:
Base-Base interactions energy: -138.128
where: short stacking energy: -73.576
Base-Backbone interact. energy: -0.174
local terms energy: -96.182062
where:
bonds (distance) C4'-P energy: -18.079
bonds (distance) P-C4' energy: -20.965
flat angles C4'-P-C4' energy: -24.075
flat angles P-C4'-P energy: -14.894
tors. eta vs tors. theta energy: -18.169
Dist. restrs. and SS energy: 0.910 (S_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: 242
Temperature: 1.250000
Total energy: -232.723017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.723017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.968322 (E_RNA)
where:
Base-Base interactions energy: -138.967
where: short stacking energy: -76.440
Base-Backbone interact. energy: -0.855
local terms energy: -93.145809
where:
bonds (distance) C4'-P energy: -19.221
bonds (distance) P-C4' energy: -20.192
flat angles C4'-P-C4' energy: -24.254
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -18.706
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: 8
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -197.357855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.357855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.585362 (E_RNA)
where:
Base-Base interactions energy: -126.944
where: short stacking energy: -57.956
Base-Backbone interact. energy: -0.229
local terms energy: -70.411763
where:
bonds (distance) C4'-P energy: -17.321
bonds (distance) P-C4' energy: -19.062
flat angles C4'-P-C4' energy: -19.738
flat angles P-C4'-P energy: -6.381
tors. eta vs tors. theta energy: -7.910
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: 242
Temperature: 1.350000
Total energy: -203.695075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.695075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.761489 (E_RNA)
where:
Base-Base interactions energy: -117.576
where: short stacking energy: -61.158
Base-Backbone interact. energy: -0.098
local terms energy: -86.087540
where:
bonds (distance) C4'-P energy: -17.386
bonds (distance) P-C4' energy: -12.038
flat angles C4'-P-C4' energy: -22.094
flat angles P-C4'-P energy: -14.947
tors. eta vs tors. theta energy: -19.623
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -299.097007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.097007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.270614 (E_RNA)
where:
Base-Base interactions energy: -185.545
where: short stacking energy: -103.417
Base-Backbone interact. energy: -0.018
local terms energy: -113.707587
where:
bonds (distance) C4'-P energy: -20.444
bonds (distance) P-C4' energy: -20.306
flat angles C4'-P-C4' energy: -25.292
flat angles P-C4'-P energy: -17.009
tors. eta vs tors. theta energy: -30.656
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: 2, replica: 2
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -291.995853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.995853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.623159 (E_RNA)
where:
Base-Base interactions energy: -183.124
where: short stacking energy: -104.824
Base-Backbone interact. energy: -0.149
local terms energy: -109.350992
where:
bonds (distance) C4'-P energy: -18.678
bonds (distance) P-C4' energy: -25.110
flat angles C4'-P-C4' energy: -22.225
flat angles P-C4'-P energy: -16.437
tors. eta vs tors. theta energy: -26.901
Dist. restrs. and SS energy: 0.627 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -291.801263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.801263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.131719 (E_RNA)
where:
Base-Base interactions energy: -179.968
where: short stacking energy: -110.982
Base-Backbone interact. energy: -0.009
local terms energy: -112.154802
where:
bonds (distance) C4'-P energy: -23.465
bonds (distance) P-C4' energy: -15.668
flat angles C4'-P-C4' energy: -25.056
flat angles P-C4'-P energy: -17.076
tors. eta vs tors. theta energy: -30.889
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: 4, replica: 9
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -252.910974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.910974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.024296 (E_RNA)
where:
Base-Base interactions energy: -155.652
where: short stacking energy: -88.415
Base-Backbone interact. energy: 0.397
local terms energy: -97.768606
where:
bonds (distance) C4'-P energy: -21.840
bonds (distance) P-C4' energy: -21.746
flat angles C4'-P-C4' energy: -22.245
flat angles P-C4'-P energy: -14.384
tors. eta vs tors. theta energy: -17.553
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -216.622875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.622875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.637717 (E_RNA)
where:
Base-Base interactions energy: -128.326
where: short stacking energy: -63.109
Base-Backbone interact. energy: -0.347
local terms energy: -87.964622
where:
bonds (distance) C4'-P energy: -16.689
bonds (distance) P-C4' energy: -18.487
flat angles C4'-P-C4' energy: -21.905
flat angles P-C4'-P energy: -12.849
tors. eta vs tors. theta energy: -18.035
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -254.713547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.713547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.819347 (E_RNA)
where:
Base-Base interactions energy: -154.998
where: short stacking energy: -84.070
Base-Backbone interact. energy: -0.209
local terms energy: -100.612245
where:
bonds (distance) C4'-P energy: -19.305
bonds (distance) P-C4' energy: -21.065
flat angles C4'-P-C4' energy: -18.268
flat angles P-C4'-P energy: -15.765
tors. eta vs tors. theta energy: -26.210
Dist. restrs. and SS energy: 1.106 (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: 1
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -227.132581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.132581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.174249 (E_RNA)
where:
Base-Base interactions energy: -131.656
where: short stacking energy: -75.706
Base-Backbone interact. energy: -0.129
local terms energy: -95.389196
where:
bonds (distance) C4'-P energy: -19.520
bonds (distance) P-C4' energy: -19.334
flat angles C4'-P-C4' energy: -19.636
flat angles P-C4'-P energy: -16.379
tors. eta vs tors. theta energy: -20.520
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: 7
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -226.348166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.348166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.350032 (E_RNA)
where:
Base-Base interactions energy: -143.640
where: short stacking energy: -72.427
Base-Backbone interact. energy: -0.257
local terms energy: -82.453077
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -18.620
flat angles C4'-P-C4' energy: -22.318
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -18.569
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: 8
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -210.433442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.433442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.694417 (E_RNA)
where:
Base-Base interactions energy: -132.660
where: short stacking energy: -65.685
Base-Backbone interact. energy: -0.035
local terms energy: -77.999944
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -13.115
flat angles C4'-P-C4' energy: -21.156
flat angles P-C4'-P energy: -16.792
tors. eta vs tors. theta energy: -11.418
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: 10, replica: 5
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -213.113151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.113151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.253927 (E_RNA)
where:
Base-Base interactions energy: -140.576
where: short stacking energy: -68.196
Base-Backbone interact. energy: 2.714
local terms energy: -75.391521
where:
bonds (distance) C4'-P energy: -17.094
bonds (distance) P-C4' energy: -18.089
flat angles C4'-P-C4' energy: -20.101
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -12.085
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: 1, replica: 2
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -289.344858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.344858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.554735 (E_RNA)
where:
Base-Base interactions energy: -181.522
where: short stacking energy: -89.337
Base-Backbone interact. energy: -0.320
local terms energy: -108.712133
where:
bonds (distance) C4'-P energy: -25.257
bonds (distance) P-C4' energy: -23.699
flat angles C4'-P-C4' energy: -23.924
flat angles P-C4'-P energy: -15.709
tors. eta vs tors. theta energy: -20.122
Dist. restrs. and SS energy: 1.210 (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: 6
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -292.499046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.499046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.518840 (E_RNA)
where:
Base-Base interactions energy: -183.847
where: short stacking energy: -112.706
Base-Backbone interact. energy: -0.001
local terms energy: -108.670524
where:
bonds (distance) C4'-P energy: -23.040
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -22.695
flat angles P-C4'-P energy: -16.221
tors. eta vs tors. theta energy: -28.512
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -287.749685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.749685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.998689 (E_RNA)
where:
Base-Base interactions energy: -172.976
where: short stacking energy: -92.372
Base-Backbone interact. energy: -0.658
local terms energy: -114.364963
where:
bonds (distance) C4'-P energy: -20.725
bonds (distance) P-C4' energy: -24.889
flat angles C4'-P-C4' energy: -25.299
flat angles P-C4'-P energy: -17.466
tors. eta vs tors. theta energy: -25.986
Dist. restrs. and SS energy: 0.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -254.715629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.715629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.008180 (E_RNA)
where:
Base-Base interactions energy: -149.196
where: short stacking energy: -87.220
Base-Backbone interact. energy: -0.041
local terms energy: -105.771528
where:
bonds (distance) C4'-P energy: -19.934
bonds (distance) P-C4' energy: -23.170
flat angles C4'-P-C4' energy: -25.729
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -26.509
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: 4
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -235.148842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.148842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.183152 (E_RNA)
where:
Base-Base interactions energy: -156.123
where: short stacking energy: -80.083
Base-Backbone interact. energy: -0.064
local terms energy: -80.996039
where:
bonds (distance) C4'-P energy: -17.218
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -22.858
Dist. restrs. and SS energy: 2.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -235.351537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.351537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.362046 (E_RNA)
where:
Base-Base interactions energy: -149.341
where: short stacking energy: -78.850
Base-Backbone interact. energy: -1.102
local terms energy: -84.918849
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -20.227
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -13.172
tors. eta vs tors. theta energy: -21.000
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: 1
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -244.265855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.265855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.289788 (E_RNA)
where:
Base-Base interactions energy: -155.413
where: short stacking energy: -82.138
Base-Backbone interact. energy: 1.292
local terms energy: -90.168357
where:
bonds (distance) C4'-P energy: -12.627
bonds (distance) P-C4' energy: -20.996
flat angles C4'-P-C4' energy: -19.791
flat angles P-C4'-P energy: -15.215
tors. eta vs tors. theta energy: -21.539
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: 244
Temperature: 1.250000
Total energy: -223.596609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.596609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.720770 (E_RNA)
where:
Base-Base interactions energy: -135.277
where: short stacking energy: -75.794
Base-Backbone interact. energy: -0.237
local terms energy: -88.206500
where:
bonds (distance) C4'-P energy: -19.230
bonds (distance) P-C4' energy: -18.428
flat angles C4'-P-C4' energy: -22.948
flat angles P-C4'-P energy: -7.924
tors. eta vs tors. theta energy: -19.677
Dist. restrs. and SS energy: 0.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -203.186244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.186244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.310968 (E_RNA)
where:
Base-Base interactions energy: -131.367
where: short stacking energy: -61.584
Base-Backbone interact. energy: 5.801
local terms energy: -77.745276
where:
bonds (distance) C4'-P energy: -21.550
bonds (distance) P-C4' energy: -18.684
flat angles C4'-P-C4' energy: -18.740
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -9.426
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: 8
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -204.656738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.656738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.825161 (E_RNA)
where:
Base-Base interactions energy: -122.034
where: short stacking energy: -62.221
Base-Backbone interact. energy: -0.473
local terms energy: -82.318280
where:
bonds (distance) C4'-P energy: -15.132
bonds (distance) P-C4' energy: -21.396
flat angles C4'-P-C4' energy: -21.306
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -14.093
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: 2
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -306.650964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.650964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.691961 (E_RNA)
where:
Base-Base interactions energy: -192.041
where: short stacking energy: -109.564
Base-Backbone interact. energy: -0.034
local terms energy: -114.617158
where:
bonds (distance) C4'-P energy: -18.781
bonds (distance) P-C4' energy: -24.612
flat angles C4'-P-C4' energy: -22.720
flat angles P-C4'-P energy: -15.748
tors. eta vs tors. theta energy: -32.755
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: 245
Temperature: 0.950000
Total energy: -292.694226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.694226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.815365 (E_RNA)
where:
Base-Base interactions energy: -181.003
where: short stacking energy: -104.078
Base-Backbone interact. energy: -0.004
local terms energy: -111.807860
where:
bonds (distance) C4'-P energy: -20.958
bonds (distance) P-C4' energy: -20.925
flat angles C4'-P-C4' energy: -21.911
flat angles P-C4'-P energy: -16.631
tors. eta vs tors. theta energy: -31.382
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: 245
Temperature: 1.000000
Total energy: -260.273258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.273258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.292413 (E_RNA)
where:
Base-Base interactions energy: -161.108
where: short stacking energy: -95.621
Base-Backbone interact. energy: -0.332
local terms energy: -98.852020
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -22.491
flat angles C4'-P-C4' energy: -22.411
flat angles P-C4'-P energy: -17.385
tors. eta vs tors. theta energy: -21.229
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: 4
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -266.954770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.954770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.734081 (E_RNA)
where:
Base-Base interactions energy: -168.938
where: short stacking energy: -90.063
Base-Backbone interact. energy: -0.088
local terms energy: -98.707739
where:
bonds (distance) C4'-P energy: -14.552
bonds (distance) P-C4' energy: -22.105
flat angles C4'-P-C4' energy: -23.279
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -25.708
Dist. restrs. and SS energy: 0.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -246.672481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.672481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.747120 (E_RNA)
where:
Base-Base interactions energy: -138.816
where: short stacking energy: -75.037
Base-Backbone interact. energy: -0.035
local terms energy: -107.895502
where:
bonds (distance) C4'-P energy: -20.539
bonds (distance) P-C4' energy: -24.557
flat angles C4'-P-C4' energy: -23.028
flat angles P-C4'-P energy: -13.133
tors. eta vs tors. theta energy: -26.638
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -235.750691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.750691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.750691 (E_RNA)
where:
Base-Base interactions energy: -153.043
where: short stacking energy: -85.453
Base-Backbone interact. energy: -0.228
local terms energy: -82.479632
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -21.365
flat angles P-C4'-P energy: -6.454
tors. eta vs tors. theta energy: -19.249
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -239.821160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.821160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.913130 (E_RNA)
where:
Base-Base interactions energy: -138.919
where: short stacking energy: -69.890
Base-Backbone interact. energy: -0.166
local terms energy: -100.828171
where:
bonds (distance) C4'-P energy: -21.294
bonds (distance) P-C4' energy: -24.285
flat angles C4'-P-C4' energy: -21.761
flat angles P-C4'-P energy: -16.888
tors. eta vs tors. theta energy: -16.600
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: 5
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -214.536049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.536049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.778031 (E_RNA)
where:
Base-Base interactions energy: -129.546
where: short stacking energy: -67.039
Base-Backbone interact. energy: 0.928
local terms energy: -86.159961
where:
bonds (distance) C4'-P energy: -12.627
bonds (distance) P-C4' energy: -23.529
flat angles C4'-P-C4' energy: -20.800
flat angles P-C4'-P energy: -14.381
tors. eta vs tors. theta energy: -14.823
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: 9, replica: 7
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -235.028481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.028481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.053992 (E_RNA)
where:
Base-Base interactions energy: -145.813
where: short stacking energy: -76.121
Base-Backbone interact. energy: 2.322
local terms energy: -91.562806
where:
bonds (distance) C4'-P energy: -20.423
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -20.800
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -20.932
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -201.894540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.894540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.904079 (E_RNA)
where:
Base-Base interactions energy: -127.212
where: short stacking energy: -61.567
Base-Backbone interact. energy: 0.751
local terms energy: -75.442989
where:
bonds (distance) C4'-P energy: -23.312
bonds (distance) P-C4' energy: -22.954
flat angles C4'-P-C4' energy: -10.975
flat angles P-C4'-P energy: -4.722
tors. eta vs tors. theta energy: -13.481
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: 1, replica: 2
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -306.980570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.980570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.212794 (E_RNA)
where:
Base-Base interactions energy: -186.721
where: short stacking energy: -111.658
Base-Backbone interact. energy: -0.002
local terms energy: -120.489849
where:
bonds (distance) C4'-P energy: -20.165
bonds (distance) P-C4' energy: -23.567
flat angles C4'-P-C4' energy: -24.689
flat angles P-C4'-P energy: -16.138
tors. eta vs tors. theta energy: -35.931
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: 246
Temperature: 0.950000
Total energy: -271.915221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.915221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.977675 (E_RNA)
where:
Base-Base interactions energy: -174.879
where: short stacking energy: -101.461
Base-Backbone interact. energy: 0.168
local terms energy: -97.266574
where:
bonds (distance) C4'-P energy: -15.536
bonds (distance) P-C4' energy: -19.428
flat angles C4'-P-C4' energy: -22.405
flat angles P-C4'-P energy: -15.686
tors. eta vs tors. theta energy: -24.212
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: 6
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -264.608277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.608277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.608277 (E_RNA)
where:
Base-Base interactions energy: -165.079
where: short stacking energy: -92.775
Base-Backbone interact. energy: -0.015
local terms energy: -99.514837
where:
bonds (distance) C4'-P energy: -17.663
bonds (distance) P-C4' energy: -20.076
flat angles C4'-P-C4' energy: -23.951
flat angles P-C4'-P energy: -15.130
tors. eta vs tors. theta energy: -22.696
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: 4
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -264.778749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.778749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.855471 (E_RNA)
where:
Base-Base interactions energy: -153.988
where: short stacking energy: -96.186
Base-Backbone interact. energy: -0.192
local terms energy: -110.674862
where:
bonds (distance) C4'-P energy: -20.575
bonds (distance) P-C4' energy: -24.645
flat angles C4'-P-C4' energy: -23.703
flat angles P-C4'-P energy: -16.126
tors. eta vs tors. theta energy: -25.625
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: 1
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -229.598794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.598794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.647874 (E_RNA)
where:
Base-Base interactions energy: -134.645
where: short stacking energy: -67.085
Base-Backbone interact. energy: -0.510
local terms energy: -94.492655
where:
bonds (distance) C4'-P energy: -20.533
bonds (distance) P-C4' energy: -21.855
flat angles C4'-P-C4' energy: -20.629
flat angles P-C4'-P energy: -13.795
tors. eta vs tors. theta energy: -17.680
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: 9
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -229.524120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.524120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.596903 (E_RNA)
where:
Base-Base interactions energy: -132.196
where: short stacking energy: -67.401
Base-Backbone interact. energy: 0.509
local terms energy: -97.909688
where:
bonds (distance) C4'-P energy: -19.297
bonds (distance) P-C4' energy: -26.128
flat angles C4'-P-C4' energy: -19.011
flat angles P-C4'-P energy: -17.870
tors. eta vs tors. theta energy: -15.603
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -238.552487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.552487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.883718 (E_RNA)
where:
Base-Base interactions energy: -142.597
where: short stacking energy: -70.096
Base-Backbone interact. energy: -0.246
local terms energy: -96.040072
where:
bonds (distance) C4'-P energy: -24.306
bonds (distance) P-C4' energy: -20.343
flat angles C4'-P-C4' energy: -19.940
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: -18.696
Dist. restrs. and SS energy: 0.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -212.483781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.483781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.483781 (E_RNA)
where:
Base-Base interactions energy: -133.599
where: short stacking energy: -68.745
Base-Backbone interact. energy: -0.090
local terms energy: -78.794316
where:
bonds (distance) C4'-P energy: -15.866
bonds (distance) P-C4' energy: -15.143
flat angles C4'-P-C4' energy: -17.320
flat angles P-C4'-P energy: -14.487
tors. eta vs tors. theta energy: -15.978
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -210.366722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.366722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.993966 (E_RNA)
where:
Base-Base interactions energy: -126.072
where: short stacking energy: -58.797
Base-Backbone interact. energy: -0.343
local terms energy: -84.579525
where:
bonds (distance) C4'-P energy: -22.539
bonds (distance) P-C4' energy: -22.449
flat angles C4'-P-C4' energy: -21.390
flat angles P-C4'-P energy: -8.721
tors. eta vs tors. theta energy: -9.480
Dist. restrs. and SS energy: 0.627 (S_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: 246
Temperature: 1.350000
Total energy: -199.199155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.199155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.211980 (E_RNA)
where:
Base-Base interactions energy: -118.291
where: short stacking energy: -61.114
Base-Backbone interact. energy: -0.267
local terms energy: -80.653310
where:
bonds (distance) C4'-P energy: -18.048
bonds (distance) P-C4' energy: -16.444
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -19.805
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: 2
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -306.201348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.201348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.893740 (E_RNA)
where:
Base-Base interactions energy: -192.193
where: short stacking energy: -105.643
Base-Backbone interact. energy: -0.395
local terms energy: -114.305797
where:
bonds (distance) C4'-P energy: -24.322
bonds (distance) P-C4' energy: -26.072
flat angles C4'-P-C4' energy: -23.857
flat angles P-C4'-P energy: -15.873
tors. eta vs tors. theta energy: -24.181
Dist. restrs. and SS energy: 0.692 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -278.403345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.403345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.424124 (E_RNA)
where:
Base-Base interactions energy: -165.221
where: short stacking energy: -94.989
Base-Backbone interact. energy: -0.005
local terms energy: -113.197867
where:
bonds (distance) C4'-P energy: -22.560
bonds (distance) P-C4' energy: -26.928
flat angles C4'-P-C4' energy: -21.639
flat angles P-C4'-P energy: -16.637
tors. eta vs tors. theta energy: -25.434
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: 247
Temperature: 1.000000
Total energy: -279.448408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.448408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.113039 (E_RNA)
where:
Base-Base interactions energy: -179.213
where: short stacking energy: -103.160
Base-Backbone interact. energy: -0.074
local terms energy: -101.825514
where:
bonds (distance) C4'-P energy: -16.590
bonds (distance) P-C4' energy: -21.488
flat angles C4'-P-C4' energy: -23.199
flat angles P-C4'-P energy: -13.932
tors. eta vs tors. theta energy: -26.616
Dist. restrs. and SS energy: 1.665 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -261.590573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.590573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.691820 (E_RNA)
where:
Base-Base interactions energy: -157.146
where: short stacking energy: -81.371
Base-Backbone interact. energy: 0.795
local terms energy: -105.341058
where:
bonds (distance) C4'-P energy: -22.962
bonds (distance) P-C4' energy: -23.048
flat angles C4'-P-C4' energy: -20.407
flat angles P-C4'-P energy: -15.356
tors. eta vs tors. theta energy: -23.568
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -253.004428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.004428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.074022 (E_RNA)
where:
Base-Base interactions energy: -152.978
where: short stacking energy: -84.395
Base-Backbone interact. energy: -0.180
local terms energy: -99.915311
where:
bonds (distance) C4'-P energy: -23.627
bonds (distance) P-C4' energy: -18.315
flat angles C4'-P-C4' energy: -23.416
flat angles P-C4'-P energy: -15.085
tors. eta vs tors. theta energy: -19.472
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: 247
Temperature: 1.150000
Total energy: -242.843847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.843847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.874113 (E_RNA)
where:
Base-Base interactions energy: -153.528
where: short stacking energy: -81.115
Base-Backbone interact. energy: -0.197
local terms energy: -89.149334
where:
bonds (distance) C4'-P energy: -18.843
bonds (distance) P-C4' energy: -20.432
flat angles C4'-P-C4' energy: -23.979
flat angles P-C4'-P energy: -7.544
tors. eta vs tors. theta energy: -18.351
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: 10
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -212.177337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.177337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.382625 (E_RNA)
where:
Base-Base interactions energy: -127.719
where: short stacking energy: -66.297
Base-Backbone interact. energy: -0.380
local terms energy: -84.283604
where:
bonds (distance) C4'-P energy: -9.726
bonds (distance) P-C4' energy: -19.863
flat angles C4'-P-C4' energy: -19.386
flat angles P-C4'-P energy: -18.126
tors. eta vs tors. theta energy: -17.182
Dist. restrs. and SS energy: 0.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -229.990432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.990432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.291667 (E_RNA)
where:
Base-Base interactions energy: -138.606
where: short stacking energy: -67.862
Base-Backbone interact. energy: -0.508
local terms energy: -93.178123
where:
bonds (distance) C4'-P energy: -23.773
bonds (distance) P-C4' energy: -20.499
flat angles C4'-P-C4' energy: -18.568
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -19.624
Dist. restrs. and SS energy: 2.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -217.174089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.174089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.438880 (E_RNA)
where:
Base-Base interactions energy: -123.808
where: short stacking energy: -64.511
Base-Backbone interact. energy: -0.436
local terms energy: -93.195146
where:
bonds (distance) C4'-P energy: -22.662
bonds (distance) P-C4' energy: -20.439
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -16.394
tors. eta vs tors. theta energy: -16.726
Dist. restrs. and SS energy: 0.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -211.083311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.083311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.363074 (E_RNA)
where:
Base-Base interactions energy: -129.376
where: short stacking energy: -72.508
Base-Backbone interact. energy: 0.668
local terms energy: -82.655198
where:
bonds (distance) C4'-P energy: -20.282
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -20.944
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: -17.256
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: 3
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -305.066701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.066701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.132421 (E_RNA)
where:
Base-Base interactions energy: -184.295
where: short stacking energy: -109.852
Base-Backbone interact. energy: -0.088
local terms energy: -120.749879
where:
bonds (distance) C4'-P energy: -22.609
bonds (distance) P-C4' energy: -20.461
flat angles C4'-P-C4' energy: -25.805
flat angles P-C4'-P energy: -20.251
tors. eta vs tors. theta energy: -31.624
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -289.040191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.040191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.040191 (E_RNA)
where:
Base-Base interactions energy: -182.249
where: short stacking energy: -100.139
Base-Backbone interact. energy: -0.184
local terms energy: -106.606711
where:
bonds (distance) C4'-P energy: -22.178
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -24.707
flat angles P-C4'-P energy: -18.021
tors. eta vs tors. theta energy: -26.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -296.342837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.342837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.526899 (E_RNA)
where:
Base-Base interactions energy: -182.340
where: short stacking energy: -102.978
Base-Backbone interact. energy: -0.042
local terms energy: -116.144631
where:
bonds (distance) C4'-P energy: -21.001
bonds (distance) P-C4' energy: -20.889
flat angles C4'-P-C4' energy: -26.318
flat angles P-C4'-P energy: -18.362
tors. eta vs tors. theta energy: -29.574
Dist. restrs. and SS energy: 2.184 (S_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: 248
Temperature: 1.050000
Total energy: -262.484334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.484334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.367135 (E_RNA)
where:
Base-Base interactions energy: -160.651
where: short stacking energy: -83.470
Base-Backbone interact. energy: -0.941
local terms energy: -101.774809
where:
bonds (distance) C4'-P energy: -24.791
bonds (distance) P-C4' energy: -23.711
flat angles C4'-P-C4' energy: -22.036
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -20.007
Dist. restrs. and SS energy: 0.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -246.237749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.237749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.752517 (E_RNA)
where:
Base-Base interactions energy: -143.521
where: short stacking energy: -80.352
Base-Backbone interact. energy: -0.141
local terms energy: -103.091064
where:
bonds (distance) C4'-P energy: -21.840
bonds (distance) P-C4' energy: -23.922
flat angles C4'-P-C4' energy: -22.251
flat angles P-C4'-P energy: -17.586
tors. eta vs tors. theta energy: -17.493
Dist. restrs. and SS energy: 0.515 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -247.357124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.357124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.397339 (E_RNA)
where:
Base-Base interactions energy: -144.905
where: short stacking energy: -73.719
Base-Backbone interact. energy: -0.298
local terms energy: -102.194641
where:
bonds (distance) C4'-P energy: -20.977
bonds (distance) P-C4' energy: -22.788
flat angles C4'-P-C4' energy: -22.865
flat angles P-C4'-P energy: -16.968
tors. eta vs tors. theta energy: -18.597
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: 5
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -231.372026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.372026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.456548 (E_RNA)
where:
Base-Base interactions energy: -140.150
where: short stacking energy: -65.287
Base-Backbone interact. energy: -0.429
local terms energy: -90.878206
where:
bonds (distance) C4'-P energy: -20.648
bonds (distance) P-C4' energy: -22.832
flat angles C4'-P-C4' energy: -22.330
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: -15.651
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: 10
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -212.597297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.597297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.781328 (E_RNA)
where:
Base-Base interactions energy: -131.597
where: short stacking energy: -60.911
Base-Backbone interact. energy: 1.699
local terms energy: -82.883729
where:
bonds (distance) C4'-P energy: -21.995
bonds (distance) P-C4' energy: -24.962
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -14.819
tors. eta vs tors. theta energy: -7.434
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: 9, replica: 7
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -224.619627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.619627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.307537 (E_RNA)
where:
Base-Base interactions energy: -138.619
where: short stacking energy: -67.791
Base-Backbone interact. energy: 0.613
local terms energy: -88.301615
where:
bonds (distance) C4'-P energy: -17.198
bonds (distance) P-C4' energy: -21.536
flat angles C4'-P-C4' energy: -22.665
flat angles P-C4'-P energy: -7.974
tors. eta vs tors. theta energy: -18.929
Dist. restrs. and SS energy: 1.688 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -207.130473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.130473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.268414 (E_RNA)
where:
Base-Base interactions energy: -139.455
where: short stacking energy: -62.861
Base-Backbone interact. energy: -1.280
local terms energy: -66.534286
where:
bonds (distance) C4'-P energy: -13.240
bonds (distance) P-C4' energy: -20.712
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -12.850
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -298.076561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.076561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.253395 (E_RNA)
where:
Base-Base interactions energy: -174.555
where: short stacking energy: -103.030
Base-Backbone interact. energy: -0.052
local terms energy: -123.647208
where:
bonds (distance) C4'-P energy: -23.160
bonds (distance) P-C4' energy: -23.778
flat angles C4'-P-C4' energy: -22.755
flat angles P-C4'-P energy: -21.249
tors. eta vs tors. theta energy: -32.706
Dist. restrs. and SS energy: 0.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -289.257997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.257997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.266958 (E_RNA)
where:
Base-Base interactions energy: -182.156
where: short stacking energy: -94.063
Base-Backbone interact. energy: -0.033
local terms energy: -107.077700
where:
bonds (distance) C4'-P energy: -17.575
bonds (distance) P-C4' energy: -22.748
flat angles C4'-P-C4' energy: -21.912
flat angles P-C4'-P energy: -16.431
tors. eta vs tors. theta energy: -28.413
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: 249
Temperature: 1.000000
Total energy: -261.880392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.880392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.013291 (E_RNA)
where:
Base-Base interactions energy: -157.260
where: short stacking energy: -88.213
Base-Backbone interact. energy: 0.413
local terms energy: -105.166262
where:
bonds (distance) C4'-P energy: -21.798
bonds (distance) P-C4' energy: -20.751
flat angles C4'-P-C4' energy: -21.568
flat angles P-C4'-P energy: -17.323
tors. eta vs tors. theta energy: -23.726
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -255.430628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.430628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.452327 (E_RNA)
where:
Base-Base interactions energy: -150.273
where: short stacking energy: -85.297
Base-Backbone interact. energy: -0.396
local terms energy: -104.783320
where:
bonds (distance) C4'-P energy: -22.837
bonds (distance) P-C4' energy: -22.570
flat angles C4'-P-C4' energy: -17.469
flat angles P-C4'-P energy: -15.192
tors. eta vs tors. theta energy: -26.716
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -254.517957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.517957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.578032 (E_RNA)
where:
Base-Base interactions energy: -161.930
where: short stacking energy: -98.563
Base-Backbone interact. energy: -0.261
local terms energy: -92.387863
where:
bonds (distance) C4'-P energy: -10.957
bonds (distance) P-C4' energy: -19.288
flat angles C4'-P-C4' energy: -21.536
flat angles P-C4'-P energy: -14.920
tors. eta vs tors. theta energy: -25.686
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: 249
Temperature: 1.150000
Total energy: -245.106293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.106293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.317863 (E_RNA)
where:
Base-Base interactions energy: -154.619
where: short stacking energy: -82.025
Base-Backbone interact. energy: -0.141
local terms energy: -90.558498
where:
bonds (distance) C4'-P energy: -18.753
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -18.995
flat angles P-C4'-P energy: -14.598
tors. eta vs tors. theta energy: -21.627
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: 7, replica: 5
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -250.459890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.459890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.476984 (E_RNA)
where:
Base-Base interactions energy: -153.952
where: short stacking energy: -83.317
Base-Backbone interact. energy: -0.287
local terms energy: -96.237328
where:
bonds (distance) C4'-P energy: -20.105
bonds (distance) P-C4' energy: -21.192
flat angles C4'-P-C4' energy: -20.746
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -23.735
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -225.766313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.766313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.862617 (E_RNA)
where:
Base-Base interactions energy: -134.334
where: short stacking energy: -67.247
Base-Backbone interact. energy: -0.090
local terms energy: -91.438791
where:
bonds (distance) C4'-P energy: -22.866
bonds (distance) P-C4' energy: -20.547
flat angles C4'-P-C4' energy: -24.947
flat angles P-C4'-P energy: -8.177
tors. eta vs tors. theta energy: -14.901
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: 10
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -201.372928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.372928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.372928 (E_RNA)
where:
Base-Base interactions energy: -122.017
where: short stacking energy: -59.770
Base-Backbone interact. energy: -0.140
local terms energy: -79.216617
where:
bonds (distance) C4'-P energy: -16.026
bonds (distance) P-C4' energy: -22.035
flat angles C4'-P-C4' energy: -22.308
flat angles P-C4'-P energy: -13.212
tors. eta vs tors. theta energy: -5.635
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -207.756636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.756636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.856823 (E_RNA)
where:
Base-Base interactions energy: -124.953
where: short stacking energy: -48.461
Base-Backbone interact. energy: -0.485
local terms energy: -82.418787
where:
bonds (distance) C4'-P energy: -18.598
bonds (distance) P-C4' energy: -21.598
flat angles C4'-P-C4' energy: -19.109
flat angles P-C4'-P energy: -15.015
tors. eta vs tors. theta energy: -8.098
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -298.072053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.072053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.433670 (E_RNA)
where:
Base-Base interactions energy: -184.995
where: short stacking energy: -105.768
Base-Backbone interact. energy: -0.001
local terms energy: -114.437160
where:
bonds (distance) C4'-P energy: -22.216
bonds (distance) P-C4' energy: -20.300
flat angles C4'-P-C4' energy: -23.877
flat angles P-C4'-P energy: -17.765
tors. eta vs tors. theta energy: -30.279
Dist. restrs. and SS energy: 1.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -285.364646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.364646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.682114 (E_RNA)
where:
Base-Base interactions energy: -177.107
where: short stacking energy: -97.847
Base-Backbone interact. energy: -0.104
local terms energy: -108.471208
where:
bonds (distance) C4'-P energy: -20.496
bonds (distance) P-C4' energy: -23.011
flat angles C4'-P-C4' energy: -22.655
flat angles P-C4'-P energy: -14.200
tors. eta vs tors. theta energy: -28.109
Dist. restrs. and SS energy: 0.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -283.246929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.246929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.807450 (E_RNA)
where:
Base-Base interactions energy: -179.788
where: short stacking energy: -102.329
Base-Backbone interact. energy: -0.006
local terms energy: -105.013518
where:
bonds (distance) C4'-P energy: -23.408
bonds (distance) P-C4' energy: -20.875
flat angles C4'-P-C4' energy: -22.631
flat angles P-C4'-P energy: -12.146
tors. eta vs tors. theta energy: -25.954
Dist. restrs. and SS energy: 1.561 (S_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: 250
Temperature: 1.050000
Total energy: -267.656076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.656076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.959586 (E_RNA)
where:
Base-Base interactions energy: -165.138
where: short stacking energy: -88.951
Base-Backbone interact. energy: -0.030
local terms energy: -104.790732
where:
bonds (distance) C4'-P energy: -18.235
bonds (distance) P-C4' energy: -16.453
flat angles C4'-P-C4' energy: -20.474
flat angles P-C4'-P energy: -18.213
tors. eta vs tors. theta energy: -31.416
Dist. restrs. and SS energy: 2.304 (S_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: 250
Temperature: 1.100000
Total energy: -247.299480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.299480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.335623 (E_RNA)
where:
Base-Base interactions energy: -154.083
where: short stacking energy: -77.409
Base-Backbone interact. energy: -0.211
local terms energy: -93.041458
where:
bonds (distance) C4'-P energy: -18.262
bonds (distance) P-C4' energy: -19.501
flat angles C4'-P-C4' energy: -19.978
flat angles P-C4'-P energy: -16.174
tors. eta vs tors. theta energy: -19.126
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: 250
Temperature: 1.150000
Total energy: -224.690955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.690955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.731710 (E_RNA)
where:
Base-Base interactions energy: -134.112
where: short stacking energy: -64.631
Base-Backbone interact. energy: -0.515
local terms energy: -90.104133
where:
bonds (distance) C4'-P energy: -23.187
bonds (distance) P-C4' energy: -20.411
flat angles C4'-P-C4' energy: -17.248
flat angles P-C4'-P energy: -14.525
tors. eta vs tors. theta energy: -14.733
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: 7
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -223.937889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.937889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.115971 (E_RNA)
where:
Base-Base interactions energy: -131.660
where: short stacking energy: -67.881
Base-Backbone interact. energy: -0.422
local terms energy: -92.034451
where:
bonds (distance) C4'-P energy: -19.145
bonds (distance) P-C4' energy: -19.987
flat angles C4'-P-C4' energy: -25.979
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -17.086
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: 5
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -225.425384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.425384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.751112 (E_RNA)
where:
Base-Base interactions energy: -142.923
where: short stacking energy: -74.389
Base-Backbone interact. energy: -0.268
local terms energy: -82.559522
where:
bonds (distance) C4'-P energy: -22.661
bonds (distance) P-C4' energy: -20.522
flat angles C4'-P-C4' energy: -18.260
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -12.535
Dist. restrs. and SS energy: 0.326 (S_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: 250
Temperature: 1.300000
Total energy: -210.028235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.028235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.398218 (E_RNA)
where:
Base-Base interactions energy: -133.945
where: short stacking energy: -52.944
Base-Backbone interact. energy: -0.202
local terms energy: -78.250788
where:
bonds (distance) C4'-P energy: -16.383
bonds (distance) P-C4' energy: -19.276
flat angles C4'-P-C4' energy: -19.621
flat angles P-C4'-P energy: -14.664
tors. eta vs tors. theta energy: -8.307
Dist. restrs. and SS energy: 2.370 (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: 8
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -210.462810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.462810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.524369 (E_RNA)
where:
Base-Base interactions energy: -127.875
where: short stacking energy: -60.513
Base-Backbone interact. energy: -0.521
local terms energy: -82.128013
where:
bonds (distance) C4'-P energy: -18.274
bonds (distance) P-C4' energy: -15.018
flat angles C4'-P-C4' energy: -24.759
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -12.254
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: 4
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -311.698036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.698036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.855988 (E_RNA)
where:
Base-Base interactions energy: -195.166
where: short stacking energy: -112.241
Base-Backbone interact. energy: -0.036
local terms energy: -118.653988
where:
bonds (distance) C4'-P energy: -20.625
bonds (distance) P-C4' energy: -21.299
flat angles C4'-P-C4' energy: -24.931
flat angles P-C4'-P energy: -20.751
tors. eta vs tors. theta energy: -31.048
Dist. restrs. and SS energy: 2.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -279.726470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.726470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.776312 (E_RNA)
where:
Base-Base interactions energy: -169.354
where: short stacking energy: -95.536
Base-Backbone interact. energy: -0.076
local terms energy: -110.346157
where:
bonds (distance) C4'-P energy: -21.995
bonds (distance) P-C4' energy: -22.784
flat angles C4'-P-C4' energy: -25.261
flat angles P-C4'-P energy: -15.227
tors. eta vs tors. theta energy: -25.078
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: 3
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -274.763755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.763755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.886892 (E_RNA)
where:
Base-Base interactions energy: -173.305
where: short stacking energy: -77.968
Base-Backbone interact. energy: -0.223
local terms energy: -102.358570
where:
bonds (distance) C4'-P energy: -23.556
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -21.778
flat angles P-C4'-P energy: -17.079
tors. eta vs tors. theta energy: -22.232
Dist. restrs. and SS energy: 1.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -264.484692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.484692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.672940 (E_RNA)
where:
Base-Base interactions energy: -160.050
where: short stacking energy: -91.349
Base-Backbone interact. energy: -0.002
local terms energy: -104.620588
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -26.200
flat angles C4'-P-C4' energy: -20.786
flat angles P-C4'-P energy: -17.698
tors. eta vs tors. theta energy: -24.657
Dist. restrs. and SS energy: 0.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -234.254969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.254969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.393280 (E_RNA)
where:
Base-Base interactions energy: -143.133
where: short stacking energy: -80.634
Base-Backbone interact. energy: -0.122
local terms energy: -91.138608
where:
bonds (distance) C4'-P energy: -21.652
bonds (distance) P-C4' energy: -20.852
flat angles C4'-P-C4' energy: -21.921
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -17.249
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -241.977037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.977037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.986845 (E_RNA)
where:
Base-Base interactions energy: -154.278
where: short stacking energy: -79.667
Base-Backbone interact. energy: 1.503
local terms energy: -89.211460
where:
bonds (distance) C4'-P energy: -19.608
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -21.577
flat angles P-C4'-P energy: -14.586
tors. eta vs tors. theta energy: -18.477
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: 251
Temperature: 1.200000
Total energy: -230.368280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.368280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.772826 (E_RNA)
where:
Base-Base interactions energy: -135.125
where: short stacking energy: -66.055
Base-Backbone interact. energy: 0.278
local terms energy: -95.925670
where:
bonds (distance) C4'-P energy: -22.803
bonds (distance) P-C4' energy: -21.100
flat angles C4'-P-C4' energy: -23.004
flat angles P-C4'-P energy: -9.226
tors. eta vs tors. theta energy: -19.792
Dist. restrs. and SS energy: 0.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -218.981482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.981482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.337709 (E_RNA)
where:
Base-Base interactions energy: -142.612
where: short stacking energy: -71.221
Base-Backbone interact. energy: -0.083
local terms energy: -77.642520
where:
bonds (distance) C4'-P energy: -14.427
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -24.099
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -12.456
Dist. restrs. and SS energy: 1.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -207.006154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.006154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.856212 (E_RNA)
where:
Base-Base interactions energy: -131.998
where: short stacking energy: -71.592
Base-Backbone interact. energy: 1.947
local terms energy: -77.805347
where:
bonds (distance) C4'-P energy: -16.750
bonds (distance) P-C4' energy: -15.475
flat angles C4'-P-C4' energy: -21.323
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: -16.134
Dist. restrs. and SS energy: 0.850 (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: 8
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -212.010595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.010595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.193842 (E_RNA)
where:
Base-Base interactions energy: -127.756
where: short stacking energy: -62.377
Base-Backbone interact. energy: -0.484
local terms energy: -83.953030
where:
bonds (distance) C4'-P energy: -18.833
bonds (distance) P-C4' energy: -25.276
flat angles C4'-P-C4' energy: -18.642
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -10.837
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: 2
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -310.592705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.592705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.622308 (E_RNA)
where:
Base-Base interactions energy: -188.812
where: short stacking energy: -99.832
Base-Backbone interact. energy: -0.009
local terms energy: -121.800960
where:
bonds (distance) C4'-P energy: -23.160
bonds (distance) P-C4' energy: -24.620
flat angles C4'-P-C4' energy: -22.504
flat angles P-C4'-P energy: -21.398
tors. eta vs tors. theta energy: -30.119
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: 252
Temperature: 0.950000
Total energy: -285.838958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.838958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.854440 (E_RNA)
where:
Base-Base interactions energy: -175.831
where: short stacking energy: -101.667
Base-Backbone interact. energy: -0.002
local terms energy: -110.021432
where:
bonds (distance) C4'-P energy: -22.352
bonds (distance) P-C4' energy: -19.205
flat angles C4'-P-C4' energy: -23.638
flat angles P-C4'-P energy: -17.324
tors. eta vs tors. theta energy: -27.502
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: 252
Temperature: 1.000000
Total energy: -261.695768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.695768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.887677 (E_RNA)
where:
Base-Base interactions energy: -166.194
where: short stacking energy: -98.176
Base-Backbone interact. energy: -0.627
local terms energy: -95.066715
where:
bonds (distance) C4'-P energy: -17.908
bonds (distance) P-C4' energy: -22.156
flat angles C4'-P-C4' energy: -19.403
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -23.382
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: 4, replica: 3
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -273.223637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.223637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.250305 (E_RNA)
where:
Base-Base interactions energy: -160.475
where: short stacking energy: -101.306
Base-Backbone interact. energy: -0.002
local terms energy: -112.773971
where:
bonds (distance) C4'-P energy: -22.228
bonds (distance) P-C4' energy: -20.790
flat angles C4'-P-C4' energy: -24.477
flat angles P-C4'-P energy: -14.871
tors. eta vs tors. theta energy: -30.409
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: 252
Temperature: 1.100000
Total energy: -257.540026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.540026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.546614 (E_RNA)
where:
Base-Base interactions energy: -163.523
where: short stacking energy: -92.803
Base-Backbone interact. energy: -0.114
local terms energy: -93.910040
where:
bonds (distance) C4'-P energy: -13.322
bonds (distance) P-C4' energy: -23.000
flat angles C4'-P-C4' energy: -21.234
flat angles P-C4'-P energy: -16.587
tors. eta vs tors. theta energy: -19.766
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: 6
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -237.299936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.299936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.463319 (E_RNA)
where:
Base-Base interactions energy: -150.996
where: short stacking energy: -74.100
Base-Backbone interact. energy: 1.966
local terms energy: -88.433129
where:
bonds (distance) C4'-P energy: -21.328
bonds (distance) P-C4' energy: -15.959
flat angles C4'-P-C4' energy: -21.029
flat angles P-C4'-P energy: -13.615
tors. eta vs tors. theta energy: -16.502
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: 252
Temperature: 1.200000
Total energy: -227.423956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.423956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.556745 (E_RNA)
where:
Base-Base interactions energy: -140.340
where: short stacking energy: -59.519
Base-Backbone interact. energy: 3.378
local terms energy: -90.594396
where:
bonds (distance) C4'-P energy: -17.344
bonds (distance) P-C4' energy: -19.661
flat angles C4'-P-C4' energy: -26.544
flat angles P-C4'-P energy: -16.955
tors. eta vs tors. theta energy: -10.091
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: 7
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -210.232694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.232694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.460899 (E_RNA)
where:
Base-Base interactions energy: -112.024
where: short stacking energy: -61.375
Base-Backbone interact. energy: -0.041
local terms energy: -98.395842
where:
bonds (distance) C4'-P energy: -22.583
bonds (distance) P-C4' energy: -25.297
flat angles C4'-P-C4' energy: -20.239
flat angles P-C4'-P energy: -17.658
tors. eta vs tors. theta energy: -12.619
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: 5
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -230.149165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.149165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.472051 (E_RNA)
where:
Base-Base interactions energy: -142.164
where: short stacking energy: -71.911
Base-Backbone interact. energy: -0.152
local terms energy: -89.156196
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -21.115
flat angles C4'-P-C4' energy: -20.735
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -20.027
Dist. restrs. and SS energy: 1.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -227.327953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.327953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.162720 (E_RNA)
where:
Base-Base interactions energy: -140.163
where: short stacking energy: -70.789
Base-Backbone interact. energy: -0.007
local terms energy: -88.992405
where:
bonds (distance) C4'-P energy: -18.686
bonds (distance) P-C4' energy: -18.668
flat angles C4'-P-C4' energy: -23.647
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -17.116
Dist. restrs. and SS energy: 1.835 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -306.674610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.674610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.737336 (E_RNA)
where:
Base-Base interactions energy: -191.327
where: short stacking energy: -113.529
Base-Backbone interact. energy: -0.016
local terms energy: -115.394528
where:
bonds (distance) C4'-P energy: -21.654
bonds (distance) P-C4' energy: -19.879
flat angles C4'-P-C4' energy: -23.682
flat angles P-C4'-P energy: -18.410
tors. eta vs tors. theta energy: -31.770
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: 9
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -260.992332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.992332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.024041 (E_RNA)
where:
Base-Base interactions energy: -154.443
where: short stacking energy: -85.744
Base-Backbone interact. energy: -0.125
local terms energy: -106.456521
where:
bonds (distance) C4'-P energy: -20.021
bonds (distance) P-C4' energy: -23.305
flat angles C4'-P-C4' energy: -23.894
flat angles P-C4'-P energy: -16.037
tors. eta vs tors. theta energy: -23.199
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: 4
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -263.997065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.997065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.997741 (E_RNA)
where:
Base-Base interactions energy: -164.289
where: short stacking energy: -88.192
Base-Backbone interact. energy: -0.011
local terms energy: -99.696989
where:
bonds (distance) C4'-P energy: -21.940
bonds (distance) P-C4' energy: -22.921
flat angles C4'-P-C4' energy: -19.571
flat angles P-C4'-P energy: -15.948
tors. eta vs tors. theta energy: -19.317
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: 253
Temperature: 1.050000
Total energy: -247.062126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.062126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.158286 (E_RNA)
where:
Base-Base interactions energy: -142.380
where: short stacking energy: -79.909
Base-Backbone interact. energy: -0.107
local terms energy: -104.671814
where:
bonds (distance) C4'-P energy: -22.994
bonds (distance) P-C4' energy: -20.016
flat angles C4'-P-C4' energy: -22.427
flat angles P-C4'-P energy: -14.700
tors. eta vs tors. theta energy: -24.536
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: 3
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -273.035855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.035855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.359702 (E_RNA)
where:
Base-Base interactions energy: -177.524
where: short stacking energy: -106.072
Base-Backbone interact. energy: -0.071
local terms energy: -96.764490
where:
bonds (distance) C4'-P energy: -17.933
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -19.616
flat angles P-C4'-P energy: -16.976
tors. eta vs tors. theta energy: -30.238
Dist. restrs. and SS energy: 1.324 (S_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: 253
Temperature: 1.150000
Total energy: -243.051343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.051343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.297925 (E_RNA)
where:
Base-Base interactions energy: -146.793
where: short stacking energy: -78.312
Base-Backbone interact. energy: 0.604
local terms energy: -97.109008
where:
bonds (distance) C4'-P energy: -19.669
bonds (distance) P-C4' energy: -21.018
flat angles C4'-P-C4' energy: -21.993
flat angles P-C4'-P energy: -18.205
tors. eta vs tors. theta energy: -16.223
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: 6
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -227.391896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.391896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.479151 (E_RNA)
where:
Base-Base interactions energy: -140.259
where: short stacking energy: -78.356
Base-Backbone interact. energy: -0.367
local terms energy: -86.853202
where:
bonds (distance) C4'-P energy: -19.139
bonds (distance) P-C4' energy: -20.031
flat angles C4'-P-C4' energy: -18.736
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -17.469
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: 5
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -219.100680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.100680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.116587 (E_RNA)
where:
Base-Base interactions energy: -134.389
where: short stacking energy: -59.431
Base-Backbone interact. energy: 0.143
local terms energy: -84.870944
where:
bonds (distance) C4'-P energy: -16.911
bonds (distance) P-C4' energy: -20.802
flat angles C4'-P-C4' energy: -19.028
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -16.433
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: 7
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -207.037991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.037991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.973193 (E_RNA)
where:
Base-Base interactions energy: -124.282
where: short stacking energy: -56.028
Base-Backbone interact. energy: -0.923
local terms energy: -83.768274
where:
bonds (distance) C4'-P energy: -21.821
bonds (distance) P-C4' energy: -12.900
flat angles C4'-P-C4' energy: -20.143
flat angles P-C4'-P energy: -20.834
tors. eta vs tors. theta energy: -8.070
Dist. restrs. and SS energy: 1.935 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -219.378283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.378283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.553708 (E_RNA)
where:
Base-Base interactions energy: -133.209
where: short stacking energy: -65.553
Base-Backbone interact. energy: -0.406
local terms energy: -85.938639
where:
bonds (distance) C4'-P energy: -21.155
bonds (distance) P-C4' energy: -21.239
flat angles C4'-P-C4' energy: -20.743
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -11.373
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: 254
Temperature: 0.900000
Total energy: -280.091225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.091225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.175571 (E_RNA)
where:
Base-Base interactions energy: -164.675
where: short stacking energy: -99.370
Base-Backbone interact. energy: -1.673
local terms energy: -113.827460
where:
bonds (distance) C4'-P energy: -25.495
bonds (distance) P-C4' energy: -26.091
flat angles C4'-P-C4' energy: -18.179
flat angles P-C4'-P energy: -18.071
tors. eta vs tors. theta energy: -25.993
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: 2
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -286.613902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.613902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.638606 (E_RNA)
where:
Base-Base interactions energy: -172.169
where: short stacking energy: -101.842
Base-Backbone interact. energy: -0.244
local terms energy: -114.225695
where:
bonds (distance) C4'-P energy: -22.288
bonds (distance) P-C4' energy: -22.449
flat angles C4'-P-C4' energy: -26.474
flat angles P-C4'-P energy: -15.819
tors. eta vs tors. theta energy: -27.195
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: 4
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -270.828293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.828293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.828293 (E_RNA)
where:
Base-Base interactions energy: -166.197
where: short stacking energy: -88.652
Base-Backbone interact. energy: -0.105
local terms energy: -104.525660
where:
bonds (distance) C4'-P energy: -21.038
bonds (distance) P-C4' energy: -22.633
flat angles C4'-P-C4' energy: -24.414
flat angles P-C4'-P energy: -8.935
tors. eta vs tors. theta energy: -27.506
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -246.267858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.267858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.333139 (E_RNA)
where:
Base-Base interactions energy: -157.356
where: short stacking energy: -93.007
Base-Backbone interact. energy: 2.851
local terms energy: -91.828077
where:
bonds (distance) C4'-P energy: -19.876
bonds (distance) P-C4' energy: -21.382
flat angles C4'-P-C4' energy: -18.239
flat angles P-C4'-P energy: -12.828
tors. eta vs tors. theta energy: -19.503
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: 5, replica: 3
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -272.595438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.595438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.645683 (E_RNA)
where:
Base-Base interactions energy: -161.091
where: short stacking energy: -89.927
Base-Backbone interact. energy: -0.111
local terms energy: -111.443682
where:
bonds (distance) C4'-P energy: -22.673
bonds (distance) P-C4' energy: -21.770
flat angles C4'-P-C4' energy: -24.657
flat angles P-C4'-P energy: -16.549
tors. eta vs tors. theta energy: -25.795
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -240.171927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.171927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.236302 (E_RNA)
where:
Base-Base interactions energy: -151.117
where: short stacking energy: -80.178
Base-Backbone interact. energy: -0.490
local terms energy: -88.629167
where:
bonds (distance) C4'-P energy: -19.384
bonds (distance) P-C4' energy: -18.600
flat angles C4'-P-C4' energy: -17.847
flat angles P-C4'-P energy: -13.443
tors. eta vs tors. theta energy: -19.356
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: 5
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -242.657276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.657276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.791502 (E_RNA)
where:
Base-Base interactions energy: -148.069
where: short stacking energy: -83.881
Base-Backbone interact. energy: -0.096
local terms energy: -94.626236
where:
bonds (distance) C4'-P energy: -19.776
bonds (distance) P-C4' energy: -19.127
flat angles C4'-P-C4' energy: -18.065
flat angles P-C4'-P energy: -13.965
tors. eta vs tors. theta energy: -23.694
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -228.195633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.195633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.429070 (E_RNA)
where:
Base-Base interactions energy: -146.631
where: short stacking energy: -69.859
Base-Backbone interact. energy: 0.189
local terms energy: -83.986534
where:
bonds (distance) C4'-P energy: -16.600
bonds (distance) P-C4' energy: -22.068
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -7.638
tors. eta vs tors. theta energy: -21.610
Dist. restrs. and SS energy: 2.233 (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: 7
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -209.957500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.957500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.899729 (E_RNA)
where:
Base-Base interactions energy: -129.062
where: short stacking energy: -60.720
Base-Backbone interact. energy: -0.060
local terms energy: -81.776935
where:
bonds (distance) C4'-P energy: -21.155
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -17.819
flat angles P-C4'-P energy: -14.267
tors. eta vs tors. theta energy: -12.894
Dist. restrs. and SS energy: 0.942 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -198.756418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.756418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.098266 (E_RNA)
where:
Base-Base interactions energy: -127.487
where: short stacking energy: -53.452
Base-Backbone interact. energy: -0.945
local terms energy: -71.665503
where:
bonds (distance) C4'-P energy: -16.538
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -17.798
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -6.935
Dist. restrs. and SS energy: 1.342 (S_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: 255
Temperature: 0.900000
Total energy: -284.756756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.756756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.759799 (E_RNA)
where:
Base-Base interactions energy: -178.789
where: short stacking energy: -96.982
Base-Backbone interact. energy: -0.085
local terms energy: -105.886271
where:
bonds (distance) C4'-P energy: -18.972
bonds (distance) P-C4' energy: -22.310
flat angles C4'-P-C4' energy: -23.848
flat angles P-C4'-P energy: -16.903
tors. eta vs tors. theta energy: -23.854
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -281.396900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.396900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.963846 (E_RNA)
where:
Base-Base interactions energy: -174.110
where: short stacking energy: -98.397
Base-Backbone interact. energy: -0.442
local terms energy: -108.411729
where:
bonds (distance) C4'-P energy: -18.736
bonds (distance) P-C4' energy: -22.974
flat angles C4'-P-C4' energy: -23.492
flat angles P-C4'-P energy: -16.891
tors. eta vs tors. theta energy: -26.318
Dist. restrs. and SS energy: 1.567 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -271.463716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.463716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.608868 (E_RNA)
where:
Base-Base interactions energy: -162.344
where: short stacking energy: -85.976
Base-Backbone interact. energy: -0.057
local terms energy: -109.208639
where:
bonds (distance) C4'-P energy: -23.038
bonds (distance) P-C4' energy: -19.590
flat angles C4'-P-C4' energy: -23.985
flat angles P-C4'-P energy: -16.540
tors. eta vs tors. theta energy: -26.056
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: 1
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -245.228994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.228994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.619343 (E_RNA)
where:
Base-Base interactions energy: -148.330
where: short stacking energy: -82.493
Base-Backbone interact. energy: -0.197
local terms energy: -97.092458
where:
bonds (distance) C4'-P energy: -20.544
bonds (distance) P-C4' energy: -20.444
flat angles C4'-P-C4' energy: -19.757
flat angles P-C4'-P energy: -14.798
tors. eta vs tors. theta energy: -21.549
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: 5, replica: 3
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -243.913814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.913814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.220923 (E_RNA)
where:
Base-Base interactions energy: -159.735
where: short stacking energy: -81.899
Base-Backbone interact. energy: -0.775
local terms energy: -83.710463
where:
bonds (distance) C4'-P energy: -14.373
bonds (distance) P-C4' energy: -22.679
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -13.238
tors. eta vs tors. theta energy: -20.957
Dist. restrs. and SS energy: 0.307 (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: 5
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -259.891523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.891523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.034258 (E_RNA)
where:
Base-Base interactions energy: -162.044
where: short stacking energy: -92.702
Base-Backbone interact. energy: -0.133
local terms energy: -97.857881
where:
bonds (distance) C4'-P energy: -15.719
bonds (distance) P-C4' energy: -17.589
flat angles C4'-P-C4' energy: -22.622
flat angles P-C4'-P energy: -14.590
tors. eta vs tors. theta energy: -27.337
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: 10
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -237.669800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.669800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.817769 (E_RNA)
where:
Base-Base interactions energy: -132.761
where: short stacking energy: -71.267
Base-Backbone interact. energy: -0.371
local terms energy: -104.685859
where:
bonds (distance) C4'-P energy: -21.544
bonds (distance) P-C4' energy: -24.769
flat angles C4'-P-C4' energy: -26.732
flat angles P-C4'-P energy: -16.766
tors. eta vs tors. theta energy: -14.875
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: 8, replica: 7
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -222.911578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.911578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.968792 (E_RNA)
where:
Base-Base interactions energy: -133.882
where: short stacking energy: -68.480
Base-Backbone interact. energy: -0.392
local terms energy: -88.694795
where:
bonds (distance) C4'-P energy: -19.503
bonds (distance) P-C4' energy: -22.694
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -18.091
tors. eta vs tors. theta energy: -13.830
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: 6
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -214.191821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.191821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.222184 (E_RNA)
where:
Base-Base interactions energy: -139.300
where: short stacking energy: -79.082
Base-Backbone interact. energy: -0.186
local terms energy: -74.736023
where:
bonds (distance) C4'-P energy: -19.040
bonds (distance) P-C4' energy: -7.431
flat angles C4'-P-C4' energy: -18.371
flat angles P-C4'-P energy: -12.049
tors. eta vs tors. theta energy: -17.845
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: 255
Temperature: 1.350000
Total energy: -226.573933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.573933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.708929 (E_RNA)
where:
Base-Base interactions energy: -139.457
where: short stacking energy: -71.557
Base-Backbone interact. energy: -0.185
local terms energy: -87.066934
where:
bonds (distance) C4'-P energy: -19.755
bonds (distance) P-C4' energy: -16.750
flat angles C4'-P-C4' energy: -25.126
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -15.211
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: 2
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -292.417914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.417914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.462329 (E_RNA)
where:
Base-Base interactions energy: -178.235
where: short stacking energy: -100.859
Base-Backbone interact. energy: -0.062
local terms energy: -115.165133
where:
bonds (distance) C4'-P energy: -24.703
bonds (distance) P-C4' energy: -24.417
flat angles C4'-P-C4' energy: -22.395
flat angles P-C4'-P energy: -15.837
tors. eta vs tors. theta energy: -27.813
Dist. restrs. and SS energy: 1.044 (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: 9
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -292.766144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.766144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.770412 (E_RNA)
where:
Base-Base interactions energy: -175.896
where: short stacking energy: -105.564
Base-Backbone interact. energy: 0.631
local terms energy: -117.505368
where:
bonds (distance) C4'-P energy: -18.859
bonds (distance) P-C4' energy: -20.635
flat angles C4'-P-C4' energy: -24.974
flat angles P-C4'-P energy: -20.549
tors. eta vs tors. theta energy: -32.489
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: 256
Temperature: 1.000000
Total energy: -283.720069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.720069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.912786 (E_RNA)
where:
Base-Base interactions energy: -177.587
where: short stacking energy: -94.402
Base-Backbone interact. energy: -0.013
local terms energy: -106.313015
where:
bonds (distance) C4'-P energy: -19.144
bonds (distance) P-C4' energy: -19.599
flat angles C4'-P-C4' energy: -21.080
flat angles P-C4'-P energy: -18.959
tors. eta vs tors. theta energy: -27.531
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: 1
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -266.716866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.716866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.802331 (E_RNA)
where:
Base-Base interactions energy: -159.059
where: short stacking energy: -88.794
Base-Backbone interact. energy: -0.249
local terms energy: -107.494334
where:
bonds (distance) C4'-P energy: -22.323
bonds (distance) P-C4' energy: -21.994
flat angles C4'-P-C4' energy: -23.479
flat angles P-C4'-P energy: -13.940
tors. eta vs tors. theta energy: -25.759
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: 5, replica: 3
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -239.791619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.791619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.885123 (E_RNA)
where:
Base-Base interactions energy: -141.727
where: short stacking energy: -80.954
Base-Backbone interact. energy: -0.154
local terms energy: -98.004503
where:
bonds (distance) C4'-P energy: -14.308
bonds (distance) P-C4' energy: -21.204
flat angles C4'-P-C4' energy: -24.872
flat angles P-C4'-P energy: -15.537
tors. eta vs tors. theta energy: -22.083
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: 256
Temperature: 1.150000
Total energy: -246.613310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.613310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.613310 (E_RNA)
where:
Base-Base interactions energy: -146.031
where: short stacking energy: -79.431
Base-Backbone interact. energy: -0.477
local terms energy: -100.104849
where:
bonds (distance) C4'-P energy: -24.587
bonds (distance) P-C4' energy: -20.740
flat angles C4'-P-C4' energy: -23.203
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -21.311
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -238.997631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.997631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.029418 (E_RNA)
where:
Base-Base interactions energy: -139.075
where: short stacking energy: -77.719
Base-Backbone interact. energy: -0.041
local terms energy: -99.913661
where:
bonds (distance) C4'-P energy: -24.455
bonds (distance) P-C4' energy: -17.155
flat angles C4'-P-C4' energy: -21.122
flat angles P-C4'-P energy: -19.207
tors. eta vs tors. theta energy: -17.975
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: 10
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -217.937909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.937909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.937909 (E_RNA)
where:
Base-Base interactions energy: -133.933
where: short stacking energy: -66.497
Base-Backbone interact. energy: -0.209
local terms energy: -83.796675
where:
bonds (distance) C4'-P energy: -20.666
bonds (distance) P-C4' energy: -17.644
flat angles C4'-P-C4' energy: -17.927
flat angles P-C4'-P energy: -14.296
tors. eta vs tors. theta energy: -13.264
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -219.676670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.676670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.745309 (E_RNA)
where:
Base-Base interactions energy: -129.982
where: short stacking energy: -64.267
Base-Backbone interact. energy: -0.114
local terms energy: -89.649058
where:
bonds (distance) C4'-P energy: -22.034
bonds (distance) P-C4' energy: -15.951
flat angles C4'-P-C4' energy: -22.185
flat angles P-C4'-P energy: -13.649
tors. eta vs tors. theta energy: -15.830
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: 6
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -200.281401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.281401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.423496 (E_RNA)
where:
Base-Base interactions energy: -117.869
where: short stacking energy: -60.403
Base-Backbone interact. energy: -0.097
local terms energy: -82.457025
where:
bonds (distance) C4'-P energy: -19.784
bonds (distance) P-C4' energy: -20.754
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -15.917
tors. eta vs tors. theta energy: -13.579
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: 2
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -294.685265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.685265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.902855 (E_RNA)
where:
Base-Base interactions energy: -183.667
where: short stacking energy: -101.984
Base-Backbone interact. energy: -0.028
local terms energy: -111.208718
where:
bonds (distance) C4'-P energy: -22.317
bonds (distance) P-C4' energy: -22.795
flat angles C4'-P-C4' energy: -21.212
flat angles P-C4'-P energy: -16.590
tors. eta vs tors. theta energy: -28.294
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: 2, replica: 4
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -287.270897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.270897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.329937 (E_RNA)
where:
Base-Base interactions energy: -182.812
where: short stacking energy: -95.541
Base-Backbone interact. energy: -0.065
local terms energy: -104.453044
where:
bonds (distance) C4'-P energy: -23.239
bonds (distance) P-C4' energy: -19.926
flat angles C4'-P-C4' energy: -23.536
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -25.604
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: 9
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -267.931878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.931878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.943609 (E_RNA)
where:
Base-Base interactions energy: -157.688
where: short stacking energy: -86.373
Base-Backbone interact. energy: -0.308
local terms energy: -109.948447
where:
bonds (distance) C4'-P energy: -20.779
bonds (distance) P-C4' energy: -20.608
flat angles C4'-P-C4' energy: -24.948
flat angles P-C4'-P energy: -19.355
tors. eta vs tors. theta energy: -24.260
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -246.122470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.122470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.155535 (E_RNA)
where:
Base-Base interactions energy: -146.863
where: short stacking energy: -81.055
Base-Backbone interact. energy: -0.019
local terms energy: -99.273252
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -22.199
flat angles C4'-P-C4' energy: -24.855
flat angles P-C4'-P energy: -12.206
tors. eta vs tors. theta energy: -24.890
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -253.042738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.042738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.072007 (E_RNA)
where:
Base-Base interactions energy: -147.458
where: short stacking energy: -72.438
Base-Backbone interact. energy: -0.019
local terms energy: -105.594805
where:
bonds (distance) C4'-P energy: -22.798
bonds (distance) P-C4' energy: -21.088
flat angles C4'-P-C4' energy: -22.949
flat angles P-C4'-P energy: -16.209
tors. eta vs tors. theta energy: -22.551
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: 7
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -244.902412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.902412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.909316 (E_RNA)
where:
Base-Base interactions energy: -150.997
where: short stacking energy: -85.531
Base-Backbone interact. energy: -0.181
local terms energy: -93.731264
where:
bonds (distance) C4'-P energy: -17.343
bonds (distance) P-C4' energy: -20.123
flat angles C4'-P-C4' energy: -19.114
flat angles P-C4'-P energy: -17.234
tors. eta vs tors. theta energy: -19.918
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: 5
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -233.798797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.798797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.931014 (E_RNA)
where:
Base-Base interactions energy: -144.704
where: short stacking energy: -75.142
Base-Backbone interact. energy: -0.503
local terms energy: -88.724553
where:
bonds (distance) C4'-P energy: -20.535
bonds (distance) P-C4' energy: -21.972
flat angles C4'-P-C4' energy: -20.753
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -16.041
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: 257
Temperature: 1.250000
Total energy: -225.151982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.151982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.614962 (E_RNA)
where:
Base-Base interactions energy: -142.747
where: short stacking energy: -73.130
Base-Backbone interact. energy: 0.143
local terms energy: -83.011147
where:
bonds (distance) C4'-P energy: -15.037
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -25.145
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -17.466
Dist. restrs. and SS energy: 0.463 (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: 10
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -216.159183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.159183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.030118 (E_RNA)
where:
Base-Base interactions energy: -133.217
where: short stacking energy: -56.876
Base-Backbone interact. energy: -0.242
local terms energy: -83.571196
where:
bonds (distance) C4'-P energy: -19.044
bonds (distance) P-C4' energy: -23.107
flat angles C4'-P-C4' energy: -21.136
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -10.938
Dist. restrs. and SS energy: 0.871 (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: 6
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -219.677886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.677886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.703779 (E_RNA)
where:
Base-Base interactions energy: -121.459
where: short stacking energy: -74.955
Base-Backbone interact. energy: 0.111
local terms energy: -99.355556
where:
bonds (distance) C4'-P energy: -23.979
bonds (distance) P-C4' energy: -16.962
flat angles C4'-P-C4' energy: -22.905
flat angles P-C4'-P energy: -16.252
tors. eta vs tors. theta energy: -19.258
Dist. restrs. and SS energy: 1.026 (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: 2
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -291.272464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.272464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.287611 (E_RNA)
where:
Base-Base interactions energy: -181.481
where: short stacking energy: -92.653
Base-Backbone interact. energy: 2.168
local terms energy: -111.974935
where:
bonds (distance) C4'-P energy: -22.078
bonds (distance) P-C4' energy: -25.481
flat angles C4'-P-C4' energy: -17.586
flat angles P-C4'-P energy: -16.434
tors. eta vs tors. theta energy: -30.396
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: 4
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -281.708487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.708487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.901768 (E_RNA)
where:
Base-Base interactions energy: -171.935
where: short stacking energy: -97.634
Base-Backbone interact. energy: -0.105
local terms energy: -109.861259
where:
bonds (distance) C4'-P energy: -21.790
bonds (distance) P-C4' energy: -22.506
flat angles C4'-P-C4' energy: -25.945
flat angles P-C4'-P energy: -14.427
tors. eta vs tors. theta energy: -25.193
Dist. restrs. and SS energy: 0.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -269.588481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.588481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.001070 (E_RNA)
where:
Base-Base interactions energy: -174.712
where: short stacking energy: -77.618
Base-Backbone interact. energy: -0.308
local terms energy: -94.981507
where:
bonds (distance) C4'-P energy: -17.048
bonds (distance) P-C4' energy: -23.723
flat angles C4'-P-C4' energy: -22.412
flat angles P-C4'-P energy: -17.988
tors. eta vs tors. theta energy: -13.811
Dist. restrs. and SS energy: 0.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -243.933597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.933597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.976821 (E_RNA)
where:
Base-Base interactions energy: -147.455
where: short stacking energy: -76.933
Base-Backbone interact. energy: -0.145
local terms energy: -96.376361
where:
bonds (distance) C4'-P energy: -22.961
bonds (distance) P-C4' energy: -17.514
flat angles C4'-P-C4' energy: -24.707
flat angles P-C4'-P energy: -13.618
tors. eta vs tors. theta energy: -17.577
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -253.167732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.167732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.598475 (E_RNA)
where:
Base-Base interactions energy: -149.997
where: short stacking energy: -93.153
Base-Backbone interact. energy: -0.243
local terms energy: -103.358455
where:
bonds (distance) C4'-P energy: -19.079
bonds (distance) P-C4' energy: -21.791
flat angles C4'-P-C4' energy: -25.268
flat angles P-C4'-P energy: -13.354
tors. eta vs tors. theta energy: -23.867
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: 6, replica: 1
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -259.138822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.138822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.360209 (E_RNA)
where:
Base-Base interactions energy: -156.839
where: short stacking energy: -86.272
Base-Backbone interact. energy: -0.590
local terms energy: -101.931835
where:
bonds (distance) C4'-P energy: -21.184
bonds (distance) P-C4' energy: -19.674
flat angles C4'-P-C4' energy: -22.047
flat angles P-C4'-P energy: -15.627
tors. eta vs tors. theta energy: -23.400
Dist. restrs. and SS energy: 0.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -225.897967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.897967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.800111 (E_RNA)
where:
Base-Base interactions energy: -132.741
where: short stacking energy: -66.410
Base-Backbone interact. energy: -0.234
local terms energy: -93.825775
where:
bonds (distance) C4'-P energy: -19.368
bonds (distance) P-C4' energy: -22.510
flat angles C4'-P-C4' energy: -19.971
flat angles P-C4'-P energy: -13.181
tors. eta vs tors. theta energy: -18.796
Dist. restrs. and SS energy: 0.902 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -222.437678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.437678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.459730 (E_RNA)
where:
Base-Base interactions energy: -137.696
where: short stacking energy: -57.547
Base-Backbone interact. energy: -0.354
local terms energy: -84.409205
where:
bonds (distance) C4'-P energy: -17.057
bonds (distance) P-C4' energy: -19.727
flat angles C4'-P-C4' energy: -19.585
flat angles P-C4'-P energy: -12.784
tors. eta vs tors. theta energy: -15.257
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: 258
Temperature: 1.300000
Total energy: -213.883482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.883482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.066105 (E_RNA)
where:
Base-Base interactions energy: -125.892
where: short stacking energy: -64.603
Base-Backbone interact. energy: -0.222
local terms energy: -87.951945
where:
bonds (distance) C4'-P energy: -20.281
bonds (distance) P-C4' energy: -25.287
flat angles C4'-P-C4' energy: -19.070
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -11.055
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: 10
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -204.452296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.452296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.666451 (E_RNA)
where:
Base-Base interactions energy: -122.868
where: short stacking energy: -56.926
Base-Backbone interact. energy: -0.194
local terms energy: -81.604636
where:
bonds (distance) C4'-P energy: -18.879
bonds (distance) P-C4' energy: -21.810
flat angles C4'-P-C4' energy: -20.062
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -11.251
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: 1, replica: 2
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -315.863975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.863975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.924693 (E_RNA)
where:
Base-Base interactions energy: -199.738
where: short stacking energy: -111.462
Base-Backbone interact. energy: 2.401
local terms energy: -118.588302
where:
bonds (distance) C4'-P energy: -23.114
bonds (distance) P-C4' energy: -19.234
flat angles C4'-P-C4' energy: -24.228
flat angles P-C4'-P energy: -19.209
tors. eta vs tors. theta energy: -32.804
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -284.027539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.027539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.910639 (E_RNA)
where:
Base-Base interactions energy: -181.688
where: short stacking energy: -85.737
Base-Backbone interact. energy: -0.021
local terms energy: -103.202488
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -22.123
flat angles C4'-P-C4' energy: -24.654
flat angles P-C4'-P energy: -14.320
tors. eta vs tors. theta energy: -28.407
Dist. restrs. and SS energy: 0.883 (S_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: 259
Temperature: 1.000000
Total energy: -291.610624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.610624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.839026 (E_RNA)
where:
Base-Base interactions energy: -187.935
where: short stacking energy: -109.290
Base-Backbone interact. energy: -0.062
local terms energy: -104.842903
where:
bonds (distance) C4'-P energy: -15.160
bonds (distance) P-C4' energy: -22.440
flat angles C4'-P-C4' energy: -24.654
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -31.437
Dist. restrs. and SS energy: 1.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -248.164422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.164422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.227373 (E_RNA)
where:
Base-Base interactions energy: -145.223
where: short stacking energy: -83.694
Base-Backbone interact. energy: -0.086
local terms energy: -102.918444
where:
bonds (distance) C4'-P energy: -22.467
bonds (distance) P-C4' energy: -25.635
flat angles C4'-P-C4' energy: -24.682
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -17.755
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: 7
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -249.857908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.857908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.127197 (E_RNA)
where:
Base-Base interactions energy: -150.435
where: short stacking energy: -84.159
Base-Backbone interact. energy: -0.300
local terms energy: -99.392212
where:
bonds (distance) C4'-P energy: -20.451
bonds (distance) P-C4' energy: -19.262
flat angles C4'-P-C4' energy: -25.888
flat angles P-C4'-P energy: -14.176
tors. eta vs tors. theta energy: -19.615
Dist. restrs. and SS energy: 0.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -258.627232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.627232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.776531 (E_RNA)
where:
Base-Base interactions energy: -158.681
where: short stacking energy: -85.045
Base-Backbone interact. energy: -0.042
local terms energy: -100.052802
where:
bonds (distance) C4'-P energy: -24.132
bonds (distance) P-C4' energy: -23.522
flat angles C4'-P-C4' energy: -19.621
flat angles P-C4'-P energy: -7.145
tors. eta vs tors. theta energy: -25.632
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: 259
Temperature: 1.200000
Total energy: -216.798094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.798094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.805459 (E_RNA)
where:
Base-Base interactions energy: -127.673
where: short stacking energy: -64.553
Base-Backbone interact. energy: -0.383
local terms energy: -88.749731
where:
bonds (distance) C4'-P energy: -22.324
bonds (distance) P-C4' energy: -23.266
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -17.510
tors. eta vs tors. theta energy: -13.663
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: 8
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -214.824405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.824405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.934282 (E_RNA)
where:
Base-Base interactions energy: -127.230
where: short stacking energy: -56.530
Base-Backbone interact. energy: 0.265
local terms energy: -87.969757
where:
bonds (distance) C4'-P energy: -23.399
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -24.806
flat angles P-C4'-P energy: -13.221
tors. eta vs tors. theta energy: -10.030
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: 6
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -190.081572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.081572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.470265 (E_RNA)
where:
Base-Base interactions energy: -124.086
where: short stacking energy: -53.438
Base-Backbone interact. energy: -0.302
local terms energy: -66.082412
where:
bonds (distance) C4'-P energy: -14.188
bonds (distance) P-C4' energy: -16.750
flat angles C4'-P-C4' energy: -21.789
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: -5.554
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: 10
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -212.727516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.727516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.797223 (E_RNA)
where:
Base-Base interactions energy: -115.010
where: short stacking energy: -56.119
Base-Backbone interact. energy: -0.109
local terms energy: -97.678025
where:
bonds (distance) C4'-P energy: -19.786
bonds (distance) P-C4' energy: -25.506
flat angles C4'-P-C4' energy: -20.751
flat angles P-C4'-P energy: -14.288
tors. eta vs tors. theta energy: -17.348
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: 9
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -291.386405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.386405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.410338 (E_RNA)
where:
Base-Base interactions energy: -188.351
where: short stacking energy: -91.486
Base-Backbone interact. energy: -0.116
local terms energy: -102.942859
where:
bonds (distance) C4'-P energy: -24.576
bonds (distance) P-C4' energy: -19.048
flat angles C4'-P-C4' energy: -19.142
flat angles P-C4'-P energy: -14.747
tors. eta vs tors. theta energy: -25.430
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: 260
Temperature: 0.950000
Total energy: -305.101170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.101170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.130262 (E_RNA)
where:
Base-Base interactions energy: -186.558
where: short stacking energy: -108.578
Base-Backbone interact. energy: -0.003
local terms energy: -118.569989
where:
bonds (distance) C4'-P energy: -22.849
bonds (distance) P-C4' energy: -19.599
flat angles C4'-P-C4' energy: -26.652
flat angles P-C4'-P energy: -19.272
tors. eta vs tors. theta energy: -30.198
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: 4
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -278.017227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.017227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.936577 (E_RNA)
where:
Base-Base interactions energy: -177.594
where: short stacking energy: -100.058
Base-Backbone interact. energy: 0.107
local terms energy: -102.450107
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -19.772
flat angles C4'-P-C4' energy: -24.125
flat angles P-C4'-P energy: -16.332
tors. eta vs tors. theta energy: -26.452
Dist. restrs. and SS energy: 1.919 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -258.637807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.637807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.680630 (E_RNA)
where:
Base-Base interactions energy: -158.585
where: short stacking energy: -88.972
Base-Backbone interact. energy: -0.039
local terms energy: -100.056970
where:
bonds (distance) C4'-P energy: -23.037
bonds (distance) P-C4' energy: -22.048
flat angles C4'-P-C4' energy: -22.359
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -22.556
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: 260
Temperature: 1.100000
Total energy: -268.301729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.301729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.428391 (E_RNA)
where:
Base-Base interactions energy: -174.271
where: short stacking energy: -95.082
Base-Backbone interact. energy: -0.176
local terms energy: -93.980481
where:
bonds (distance) C4'-P energy: -16.800
bonds (distance) P-C4' energy: -17.750
flat angles C4'-P-C4' energy: -18.410
flat angles P-C4'-P energy: -15.170
tors. eta vs tors. theta energy: -25.851
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: 7
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -254.604024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.604024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.732363 (E_RNA)
where:
Base-Base interactions energy: -158.461
where: short stacking energy: -90.208
Base-Backbone interact. energy: -0.253
local terms energy: -96.017694
where:
bonds (distance) C4'-P energy: -20.853
bonds (distance) P-C4' energy: -17.720
flat angles C4'-P-C4' energy: -19.970
flat angles P-C4'-P energy: -14.841
tors. eta vs tors. theta energy: -22.635
Dist. restrs. and SS energy: 0.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -224.984388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.984388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.846170 (E_RNA)
where:
Base-Base interactions energy: -142.088
where: short stacking energy: -64.530
Base-Backbone interact. energy: -0.264
local terms energy: -84.494462
where:
bonds (distance) C4'-P energy: -19.317
bonds (distance) P-C4' energy: -19.697
flat angles C4'-P-C4' energy: -19.600
flat angles P-C4'-P energy: -13.713
tors. eta vs tors. theta energy: -12.167
Dist. restrs. and SS energy: 1.862 (S_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: 260
Temperature: 1.250000
Total energy: -218.574150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.574150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.662760 (E_RNA)
where:
Base-Base interactions energy: -134.732
where: short stacking energy: -75.874
Base-Backbone interact. energy: -0.201
local terms energy: -83.729763
where:
bonds (distance) C4'-P energy: -18.655
bonds (distance) P-C4' energy: -15.359
flat angles C4'-P-C4' energy: -19.575
flat angles P-C4'-P energy: -16.350
tors. eta vs tors. theta energy: -13.790
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -208.442143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.442143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.477787 (E_RNA)
where:
Base-Base interactions energy: -131.545
where: short stacking energy: -67.655
Base-Backbone interact. energy: -0.217
local terms energy: -76.715776
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -19.608
tors. eta vs tors. theta energy: -12.268
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: 10
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -206.016085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.016085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.993029 (E_RNA)
where:
Base-Base interactions energy: -124.973
where: short stacking energy: -55.594
Base-Backbone interact. energy: -0.413
local terms energy: -82.607326
where:
bonds (distance) C4'-P energy: -17.897
bonds (distance) P-C4' energy: -20.810
flat angles C4'-P-C4' energy: -18.938
flat angles P-C4'-P energy: -13.569
tors. eta vs tors. theta energy: -11.393
Dist. restrs. and SS energy: 1.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -292.865052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.865052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.154043 (E_RNA)
where:
Base-Base interactions energy: -184.736
where: short stacking energy: -103.997
Base-Backbone interact. energy: -0.105
local terms energy: -110.312429
where:
bonds (distance) C4'-P energy: -21.897
bonds (distance) P-C4' energy: -23.197
flat angles C4'-P-C4' energy: -20.879
flat angles P-C4'-P energy: -12.239
tors. eta vs tors. theta energy: -32.100
Dist. restrs. and SS energy: 2.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -300.825321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.825321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.866990 (E_RNA)
where:
Base-Base interactions energy: -188.242
where: short stacking energy: -99.111
Base-Backbone interact. energy: -0.287
local terms energy: -112.338724
where:
bonds (distance) C4'-P energy: -23.197
bonds (distance) P-C4' energy: -16.999
flat angles C4'-P-C4' energy: -20.422
flat angles P-C4'-P energy: -18.206
tors. eta vs tors. theta energy: -33.515
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: 4
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -298.003528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.003528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.377378 (E_RNA)
where:
Base-Base interactions energy: -196.200
where: short stacking energy: -109.777
Base-Backbone interact. energy: 1.153
local terms energy: -104.329993
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -19.183
flat angles C4'-P-C4' energy: -23.963
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -32.716
Dist. restrs. and SS energy: 1.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -258.100784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.100784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.377279 (E_RNA)
where:
Base-Base interactions energy: -166.533
where: short stacking energy: -90.739
Base-Backbone interact. energy: -0.044
local terms energy: -91.799561
where:
bonds (distance) C4'-P energy: -17.310
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -23.692
flat angles P-C4'-P energy: -17.374
tors. eta vs tors. theta energy: -19.698
Dist. restrs. and SS energy: 0.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -246.675329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.675329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.916558 (E_RNA)
where:
Base-Base interactions energy: -144.609
where: short stacking energy: -75.231
Base-Backbone interact. energy: -0.158
local terms energy: -102.148749
where:
bonds (distance) C4'-P energy: -25.941
bonds (distance) P-C4' energy: -23.235
flat angles C4'-P-C4' energy: -18.990
flat angles P-C4'-P energy: -15.102
tors. eta vs tors. theta energy: -18.880
Dist. restrs. and SS energy: 0.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -237.401312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.401312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.443315 (E_RNA)
where:
Base-Base interactions energy: -145.138
where: short stacking energy: -78.805
Base-Backbone interact. energy: -0.149
local terms energy: -92.156616
where:
bonds (distance) C4'-P energy: -21.957
bonds (distance) P-C4' energy: -21.205
flat angles C4'-P-C4' energy: -18.818
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -18.383
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -236.936435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.936435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.949177 (E_RNA)
where:
Base-Base interactions energy: -145.758
where: short stacking energy: -72.856
Base-Backbone interact. energy: -0.135
local terms energy: -91.055760
where:
bonds (distance) C4'-P energy: -14.109
bonds (distance) P-C4' energy: -17.723
flat angles C4'-P-C4' energy: -21.451
flat angles P-C4'-P energy: -15.686
tors. eta vs tors. theta energy: -22.087
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: 6
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -221.268066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.268066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.437311 (E_RNA)
where:
Base-Base interactions energy: -131.678
where: short stacking energy: -65.830
Base-Backbone interact. energy: -0.376
local terms energy: -90.383490
where:
bonds (distance) C4'-P energy: -21.102
bonds (distance) P-C4' energy: -22.937
flat angles C4'-P-C4' energy: -22.073
flat angles P-C4'-P energy: -8.155
tors. eta vs tors. theta energy: -16.117
Dist. restrs. and SS energy: 1.169 (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: 5
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -215.695292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.695292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.995948 (E_RNA)
where:
Base-Base interactions energy: -139.792
where: short stacking energy: -66.827
Base-Backbone interact. energy: 0.109
local terms energy: -77.313123
where:
bonds (distance) C4'-P energy: -19.502
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -16.608
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -12.451
Dist. restrs. and SS energy: 1.301 (S_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: 261
Temperature: 1.350000
Total energy: -233.838685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.838685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.894234 (E_RNA)
where:
Base-Base interactions energy: -134.218
where: short stacking energy: -76.609
Base-Backbone interact. energy: 0.554
local terms energy: -100.229808
where:
bonds (distance) C4'-P energy: -17.354
bonds (distance) P-C4' energy: -26.291
flat angles C4'-P-C4' energy: -19.504
flat angles P-C4'-P energy: -13.788
tors. eta vs tors. theta energy: -23.292
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: 262
Temperature: 0.900000
Total energy: -288.097813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.097813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.122291 (E_RNA)
where:
Base-Base interactions energy: -178.342
where: short stacking energy: -105.437
Base-Backbone interact. energy: -0.031
local terms energy: -109.749159
where:
bonds (distance) C4'-P energy: -19.539
bonds (distance) P-C4' energy: -22.715
flat angles C4'-P-C4' energy: -23.244
flat angles P-C4'-P energy: -16.257
tors. eta vs tors. theta energy: -27.994
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -278.150726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.150726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.485831 (E_RNA)
where:
Base-Base interactions energy: -168.988
where: short stacking energy: -95.120
Base-Backbone interact. energy: -0.123
local terms energy: -109.375474
where:
bonds (distance) C4'-P energy: -22.803
bonds (distance) P-C4' energy: -25.081
flat angles C4'-P-C4' energy: -24.264
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -23.964
Dist. restrs. and SS energy: 0.335 (S_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: 262
Temperature: 1.000000
Total energy: -265.287772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.287772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.025949 (E_RNA)
where:
Base-Base interactions energy: -167.214
where: short stacking energy: -86.590
Base-Backbone interact. energy: -0.019
local terms energy: -98.792953
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -21.030
flat angles C4'-P-C4' energy: -23.811
flat angles P-C4'-P energy: -13.843
tors. eta vs tors. theta energy: -26.498
Dist. restrs. and SS energy: 0.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -248.144452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.144452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.225277 (E_RNA)
where:
Base-Base interactions energy: -155.253
where: short stacking energy: -76.724
Base-Backbone interact. energy: 1.733
local terms energy: -94.705084
where:
bonds (distance) C4'-P energy: -22.046
bonds (distance) P-C4' energy: -21.059
flat angles C4'-P-C4' energy: -22.823
flat angles P-C4'-P energy: -13.324
tors. eta vs tors. theta energy: -15.453
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: 262
Temperature: 1.100000
Total energy: -255.515597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.515597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.718847 (E_RNA)
where:
Base-Base interactions energy: -158.124
where: short stacking energy: -84.927
Base-Backbone interact. energy: -1.254
local terms energy: -96.340238
where:
bonds (distance) C4'-P energy: -21.847
bonds (distance) P-C4' energy: -20.916
flat angles C4'-P-C4' energy: -19.658
flat angles P-C4'-P energy: -13.570
tors. eta vs tors. theta energy: -20.350
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: 1
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -252.073630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.073630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.107386 (E_RNA)
where:
Base-Base interactions energy: -149.034
where: short stacking energy: -85.644
Base-Backbone interact. energy: -0.179
local terms energy: -102.895176
where:
bonds (distance) C4'-P energy: -25.423
bonds (distance) P-C4' energy: -19.293
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -16.171
tors. eta vs tors. theta energy: -25.321
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -225.188659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.188659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.304002 (E_RNA)
where:
Base-Base interactions energy: -135.983
where: short stacking energy: -70.722
Base-Backbone interact. energy: -0.086
local terms energy: -89.235021
where:
bonds (distance) C4'-P energy: -19.570
bonds (distance) P-C4' energy: -22.539
flat angles C4'-P-C4' energy: -17.736
flat angles P-C4'-P energy: -13.624
tors. eta vs tors. theta energy: -15.766
Dist. restrs. and SS energy: 0.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -213.577220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.577220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.583856 (E_RNA)
where:
Base-Base interactions energy: -129.126
where: short stacking energy: -62.463
Base-Backbone interact. energy: -0.083
local terms energy: -84.374767
where:
bonds (distance) C4'-P energy: -15.661
bonds (distance) P-C4' energy: -24.203
flat angles C4'-P-C4' energy: -18.811
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -14.976
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: 5
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -205.591677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.591677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.794187 (E_RNA)
where:
Base-Base interactions energy: -128.060
where: short stacking energy: -60.351
Base-Backbone interact. energy: -0.495
local terms energy: -77.238562
where:
bonds (distance) C4'-P energy: -13.070
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -16.899
tors. eta vs tors. theta energy: -13.490
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: 10, replica: 10
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -214.538595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.538595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.647450 (E_RNA)
where:
Base-Base interactions energy: -135.289
where: short stacking energy: -73.294
Base-Backbone interact. energy: -0.092
local terms energy: -80.266940
where:
bonds (distance) C4'-P energy: -15.281
bonds (distance) P-C4' energy: -23.250
flat angles C4'-P-C4' energy: -27.079
flat angles P-C4'-P energy: -3.700
tors. eta vs tors. theta energy: -10.959
Dist. restrs. and SS energy: 1.109 (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: 2
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -293.244852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.244852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.778867 (E_RNA)
where:
Base-Base interactions energy: -179.566
where: short stacking energy: -90.815
Base-Backbone interact. energy: 0.220
local terms energy: -115.432942
where:
bonds (distance) C4'-P energy: -25.320
bonds (distance) P-C4' energy: -21.200
flat angles C4'-P-C4' energy: -24.453
flat angles P-C4'-P energy: -15.735
tors. eta vs tors. theta energy: -28.725
Dist. restrs. and SS energy: 1.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -299.339512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.339512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.435264 (E_RNA)
where:
Base-Base interactions energy: -184.129
where: short stacking energy: -114.351
Base-Backbone interact. energy: -0.064
local terms energy: -115.242506
where:
bonds (distance) C4'-P energy: -21.815
bonds (distance) P-C4' energy: -19.032
flat angles C4'-P-C4' energy: -24.775
flat angles P-C4'-P energy: -16.750
tors. eta vs tors. theta energy: -32.871
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: 263
Temperature: 1.000000
Total energy: -257.114062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.114062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.519412 (E_RNA)
where:
Base-Base interactions energy: -158.851
where: short stacking energy: -81.206
Base-Backbone interact. energy: -0.061
local terms energy: -98.607534
where:
bonds (distance) C4'-P energy: -18.295
bonds (distance) P-C4' energy: -26.272
flat angles C4'-P-C4' energy: -24.907
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -20.711
Dist. restrs. and SS energy: 0.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -256.369549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.369549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.555878 (E_RNA)
where:
Base-Base interactions energy: -161.829
where: short stacking energy: -87.982
Base-Backbone interact. energy: -0.123
local terms energy: -95.604354
where:
bonds (distance) C4'-P energy: -19.043
bonds (distance) P-C4' energy: -23.273
flat angles C4'-P-C4' energy: -22.933
flat angles P-C4'-P energy: -13.596
tors. eta vs tors. theta energy: -16.759
Dist. restrs. and SS energy: 1.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -246.494502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.494502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.519566 (E_RNA)
where:
Base-Base interactions energy: -148.873
where: short stacking energy: -77.691
Base-Backbone interact. energy: 0.753
local terms energy: -98.399349
where:
bonds (distance) C4'-P energy: -20.294
bonds (distance) P-C4' energy: -21.377
flat angles C4'-P-C4' energy: -20.240
flat angles P-C4'-P energy: -12.724
tors. eta vs tors. theta energy: -23.764
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: 263
Temperature: 1.150000
Total energy: -222.309875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.309875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.314995 (E_RNA)
where:
Base-Base interactions energy: -130.931
where: short stacking energy: -68.226
Base-Backbone interact. energy: -0.000
local terms energy: -91.383939
where:
bonds (distance) C4'-P energy: -14.880
bonds (distance) P-C4' energy: -20.837
flat angles C4'-P-C4' energy: -24.272
flat angles P-C4'-P energy: -18.202
tors. eta vs tors. theta energy: -13.194
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: 263
Temperature: 1.200000
Total energy: -240.632055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.632055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.881594 (E_RNA)
where:
Base-Base interactions energy: -147.288
where: short stacking energy: -71.857
Base-Backbone interact. energy: -0.111
local terms energy: -94.482968
where:
bonds (distance) C4'-P energy: -18.351
bonds (distance) P-C4' energy: -19.767
flat angles C4'-P-C4' energy: -20.256
flat angles P-C4'-P energy: -17.003
tors. eta vs tors. theta energy: -19.106
Dist. restrs. and SS energy: 1.250 (S_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: 263
Temperature: 1.250000
Total energy: -226.176584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.176584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.625637 (E_RNA)
where:
Base-Base interactions energy: -135.906
where: short stacking energy: -65.763
Base-Backbone interact. energy: -0.439
local terms energy: -90.280113
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -22.842
flat angles P-C4'-P energy: -17.013
tors. eta vs tors. theta energy: -16.173
Dist. restrs. and SS energy: 0.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -207.441852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.441852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.633654 (E_RNA)
where:
Base-Base interactions energy: -123.941
where: short stacking energy: -68.067
Base-Backbone interact. energy: -0.095
local terms energy: -83.597703
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -25.928
flat angles C4'-P-C4' energy: -20.548
flat angles P-C4'-P energy: -7.836
tors. eta vs tors. theta energy: -16.262
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: 10, replica: 10
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -200.486061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.486061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.323100 (E_RNA)
where:
Base-Base interactions energy: -118.680
where: short stacking energy: -51.600
Base-Backbone interact. energy: -0.332
local terms energy: -83.310321
where:
bonds (distance) C4'-P energy: -18.273
bonds (distance) P-C4' energy: -19.023
flat angles C4'-P-C4' energy: -21.838
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -12.607
Dist. restrs. and SS energy: 1.837 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -302.188932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.188932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.199423 (E_RNA)
where:
Base-Base interactions energy: -188.057
where: short stacking energy: -111.320
Base-Backbone interact. energy: -0.492
local terms energy: -113.649880
where:
bonds (distance) C4'-P energy: -24.277
bonds (distance) P-C4' energy: -22.816
flat angles C4'-P-C4' energy: -21.897
flat angles P-C4'-P energy: -12.849
tors. eta vs tors. theta energy: -31.811
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: 264
Temperature: 0.950000
Total energy: -292.565919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.565919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.838537 (E_RNA)
where:
Base-Base interactions energy: -177.638
where: short stacking energy: -99.098
Base-Backbone interact. energy: -0.001
local terms energy: -115.198848
where:
bonds (distance) C4'-P energy: -22.732
bonds (distance) P-C4' energy: -21.957
flat angles C4'-P-C4' energy: -25.391
flat angles P-C4'-P energy: -14.810
tors. eta vs tors. theta energy: -30.308
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: 3
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -286.045825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.045825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.592702 (E_RNA)
where:
Base-Base interactions energy: -173.523
where: short stacking energy: -99.274
Base-Backbone interact. energy: -0.015
local terms energy: -114.055455
where:
bonds (distance) C4'-P energy: -22.102
bonds (distance) P-C4' energy: -24.061
flat angles C4'-P-C4' energy: -21.673
flat angles P-C4'-P energy: -16.902
tors. eta vs tors. theta energy: -29.317
Dist. restrs. and SS energy: 1.547 (S_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: 264
Temperature: 1.050000
Total energy: -273.916044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.916044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.307194 (E_RNA)
where:
Base-Base interactions energy: -171.432
where: short stacking energy: -94.545
Base-Backbone interact. energy: -0.001
local terms energy: -103.874640
where:
bonds (distance) C4'-P energy: -23.648
bonds (distance) P-C4' energy: -16.341
flat angles C4'-P-C4' energy: -22.001
flat angles P-C4'-P energy: -17.012
tors. eta vs tors. theta energy: -24.874
Dist. restrs. and SS energy: 1.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -247.012529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.012529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.168978 (E_RNA)
where:
Base-Base interactions energy: -147.399
where: short stacking energy: -75.713
Base-Backbone interact. energy: -0.260
local terms energy: -99.509680
where:
bonds (distance) C4'-P energy: -21.338
bonds (distance) P-C4' energy: -23.206
flat angles C4'-P-C4' energy: -19.514
flat angles P-C4'-P energy: -15.425
tors. eta vs tors. theta energy: -20.026
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: 6, replica: 6
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -235.411755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.411755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.654141 (E_RNA)
where:
Base-Base interactions energy: -146.207
where: short stacking energy: -75.890
Base-Backbone interact. energy: -0.479
local terms energy: -88.967706
where:
bonds (distance) C4'-P energy: -19.749
bonds (distance) P-C4' energy: -19.708
flat angles C4'-P-C4' energy: -23.211
flat angles P-C4'-P energy: -14.266
tors. eta vs tors. theta energy: -12.034
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: 7, replica: 1
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -220.162605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.162605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.210319 (E_RNA)
where:
Base-Base interactions energy: -139.309
where: short stacking energy: -69.520
Base-Backbone interact. energy: -0.155
local terms energy: -80.746176
where:
bonds (distance) C4'-P energy: -11.836
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -19.736
flat angles P-C4'-P energy: -17.488
tors. eta vs tors. theta energy: -14.995
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: 264
Temperature: 1.250000
Total energy: -200.995872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.995872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.165880 (E_RNA)
where:
Base-Base interactions energy: -115.801
where: short stacking energy: -58.709
Base-Backbone interact. energy: -0.358
local terms energy: -85.006820
where:
bonds (distance) C4'-P energy: -22.801
bonds (distance) P-C4' energy: -20.210
flat angles C4'-P-C4' energy: -22.045
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -10.381
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: 10
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -197.853090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.853090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.862196 (E_RNA)
where:
Base-Base interactions energy: -125.561
where: short stacking energy: -59.931
Base-Backbone interact. energy: -0.072
local terms energy: -72.229375
where:
bonds (distance) C4'-P energy: -17.214
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -18.793
flat angles P-C4'-P energy: -16.585
tors. eta vs tors. theta energy: -6.305
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: 264
Temperature: 1.350000
Total energy: -192.519897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.519897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.732959 (E_RNA)
where:
Base-Base interactions energy: -118.141
where: short stacking energy: -48.795
Base-Backbone interact. energy: 4.759
local terms energy: -79.351355
where:
bonds (distance) C4'-P energy: -24.303
bonds (distance) P-C4' energy: -18.518
flat angles C4'-P-C4' energy: -19.144
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -7.779
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: 1, replica: 4
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -295.886243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.886243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.886538 (E_RNA)
where:
Base-Base interactions energy: -177.241
where: short stacking energy: -103.669
Base-Backbone interact. energy: -0.349
local terms energy: -118.296555
where:
bonds (distance) C4'-P energy: -21.519
bonds (distance) P-C4' energy: -22.505
flat angles C4'-P-C4' energy: -25.664
flat angles P-C4'-P energy: -18.898
tors. eta vs tors. theta energy: -29.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -277.652537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.652537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.014396 (E_RNA)
where:
Base-Base interactions energy: -175.533
where: short stacking energy: -89.752
Base-Backbone interact. energy: -0.206
local terms energy: -102.276217
where:
bonds (distance) C4'-P energy: -18.414
bonds (distance) P-C4' energy: -22.454
flat angles C4'-P-C4' energy: -22.565
flat angles P-C4'-P energy: -18.878
tors. eta vs tors. theta energy: -19.965
Dist. restrs. and SS energy: 0.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -264.974923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.974923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.086960 (E_RNA)
where:
Base-Base interactions energy: -165.750
where: short stacking energy: -77.264
Base-Backbone interact. energy: -0.408
local terms energy: -98.928508
where:
bonds (distance) C4'-P energy: -20.903
bonds (distance) P-C4' energy: -22.803
flat angles C4'-P-C4' energy: -19.432
flat angles P-C4'-P energy: -15.404
tors. eta vs tors. theta energy: -20.386
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: 4, replica: 9
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -272.825543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.825543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.025092 (E_RNA)
where:
Base-Base interactions energy: -178.625
where: short stacking energy: -93.150
Base-Backbone interact. energy: -0.021
local terms energy: -95.378711
where:
bonds (distance) C4'-P energy: -19.052
bonds (distance) P-C4' energy: -21.058
flat angles C4'-P-C4' energy: -21.878
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -24.190
Dist. restrs. and SS energy: 1.200 (S_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: 265
Temperature: 1.100000
Total energy: -238.073264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.073264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.127602 (E_RNA)
where:
Base-Base interactions energy: -144.511
where: short stacking energy: -73.378
Base-Backbone interact. energy: -0.158
local terms energy: -93.458008
where:
bonds (distance) C4'-P energy: -18.520
bonds (distance) P-C4' energy: -22.735
flat angles C4'-P-C4' energy: -23.099
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: -19.206
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -234.695675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.695675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.728564 (E_RNA)
where:
Base-Base interactions energy: -141.368
where: short stacking energy: -78.939
Base-Backbone interact. energy: 1.013
local terms energy: -94.373658
where:
bonds (distance) C4'-P energy: -16.601
bonds (distance) P-C4' energy: -23.638
flat angles C4'-P-C4' energy: -26.133
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: -19.564
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: 7, replica: 1
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -237.970988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.970988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.989365 (E_RNA)
where:
Base-Base interactions energy: -150.913
where: short stacking energy: -78.073
Base-Backbone interact. energy: -0.122
local terms energy: -86.954266
where:
bonds (distance) C4'-P energy: -20.289
bonds (distance) P-C4' energy: -18.286
flat angles C4'-P-C4' energy: -18.538
flat angles P-C4'-P energy: -14.302
tors. eta vs tors. theta energy: -15.540
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: 5
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -208.610177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.610177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.709995 (E_RNA)
where:
Base-Base interactions energy: -129.359
where: short stacking energy: -68.192
Base-Backbone interact. energy: 0.566
local terms energy: -79.917129
where:
bonds (distance) C4'-P energy: -9.982
bonds (distance) P-C4' energy: -20.489
flat angles C4'-P-C4' energy: -17.834
flat angles P-C4'-P energy: -14.684
tors. eta vs tors. theta energy: -16.929
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: 10
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -200.375745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.375745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.423038 (E_RNA)
where:
Base-Base interactions energy: -135.091
where: short stacking energy: -63.377
Base-Backbone interact. energy: 0.698
local terms energy: -66.029717
where:
bonds (distance) C4'-P energy: -22.272
bonds (distance) P-C4' energy: -14.178
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -6.083
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: 10, replica: 7
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -196.718456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.718456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.891589 (E_RNA)
where:
Base-Base interactions energy: -124.014
where: short stacking energy: -60.967
Base-Backbone interact. energy: -0.140
local terms energy: -72.737308
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -17.676
flat angles C4'-P-C4' energy: -19.501
flat angles P-C4'-P energy: -12.206
tors. eta vs tors. theta energy: -8.354
Dist. restrs. and SS energy: 0.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -302.428937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.428937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.906160 (E_RNA)
where:
Base-Base interactions energy: -192.289
where: short stacking energy: -104.866
Base-Backbone interact. energy: -0.206
local terms energy: -111.410488
where:
bonds (distance) C4'-P energy: -23.864
bonds (distance) P-C4' energy: -22.309
flat angles C4'-P-C4' energy: -21.964
flat angles P-C4'-P energy: -15.352
tors. eta vs tors. theta energy: -27.923
Dist. restrs. and SS energy: 1.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -276.584514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.584514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.584545 (E_RNA)
where:
Base-Base interactions energy: -177.335
where: short stacking energy: -96.926
Base-Backbone interact. energy: -0.307
local terms energy: -98.942818
where:
bonds (distance) C4'-P energy: -14.601
bonds (distance) P-C4' energy: -22.858
flat angles C4'-P-C4' energy: -20.773
flat angles P-C4'-P energy: -17.965
tors. eta vs tors. theta energy: -22.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -303.517386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.517386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.559380 (E_RNA)
where:
Base-Base interactions energy: -187.112
where: short stacking energy: -106.076
Base-Backbone interact. energy: -0.074
local terms energy: -116.373239
where:
bonds (distance) C4'-P energy: -22.774
bonds (distance) P-C4' energy: -23.844
flat angles C4'-P-C4' energy: -20.050
flat angles P-C4'-P energy: -16.928
tors. eta vs tors. theta energy: -32.776
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: 2
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -256.591314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.591314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.994675 (E_RNA)
where:
Base-Base interactions energy: -157.806
where: short stacking energy: -89.106
Base-Backbone interact. energy: -0.202
local terms energy: -98.986445
where:
bonds (distance) C4'-P energy: -22.833
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -19.069
flat angles P-C4'-P energy: -14.030
tors. eta vs tors. theta energy: -23.534
Dist. restrs. and SS energy: 0.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -252.478094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.478094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.604351 (E_RNA)
where:
Base-Base interactions energy: -146.334
where: short stacking energy: -79.063
Base-Backbone interact. energy: -0.379
local terms energy: -105.891985
where:
bonds (distance) C4'-P energy: -22.627
bonds (distance) P-C4' energy: -25.139
flat angles C4'-P-C4' energy: -25.226
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -22.611
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: 6
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -222.143156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.143156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.212198 (E_RNA)
where:
Base-Base interactions energy: -139.097
where: short stacking energy: -66.189
Base-Backbone interact. energy: -0.336
local terms energy: -82.780000
where:
bonds (distance) C4'-P energy: -20.428
bonds (distance) P-C4' energy: -23.468
flat angles C4'-P-C4' energy: -19.418
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -9.053
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: 266
Temperature: 1.200000
Total energy: -250.890634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.890634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.208354 (E_RNA)
where:
Base-Base interactions energy: -161.560
where: short stacking energy: -86.081
Base-Backbone interact. energy: -0.123
local terms energy: -90.525054
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -23.122
flat angles C4'-P-C4' energy: -19.807
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -25.761
Dist. restrs. and SS energy: 1.318 (S_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: 266
Temperature: 1.250000
Total energy: -213.643835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.643835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.693414 (E_RNA)
where:
Base-Base interactions energy: -131.195
where: short stacking energy: -68.836
Base-Backbone interact. energy: 2.048
local terms energy: -84.545797
where:
bonds (distance) C4'-P energy: -19.166
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -23.644
flat angles P-C4'-P energy: -11.686
tors. eta vs tors. theta energy: -13.322
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: 266
Temperature: 1.300000
Total energy: -204.898413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.898413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.951049 (E_RNA)
where:
Base-Base interactions energy: -122.277
where: short stacking energy: -57.461
Base-Backbone interact. energy: -1.063
local terms energy: -81.611348
where:
bonds (distance) C4'-P energy: -22.050
bonds (distance) P-C4' energy: -20.092
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -13.318
tors. eta vs tors. theta energy: -11.890
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: 10, replica: 10
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -212.721634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.721634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.257205 (E_RNA)
where:
Base-Base interactions energy: -131.831
where: short stacking energy: -72.984
Base-Backbone interact. energy: 0.445
local terms energy: -81.871000
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -17.354
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -12.894
tors. eta vs tors. theta energy: -19.538
Dist. restrs. and SS energy: 0.536 (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: 3
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -320.429993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.429993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.609314 (E_RNA)
where:
Base-Base interactions energy: -198.964
where: short stacking energy: -116.739
Base-Backbone interact. energy: -0.005
local terms energy: -122.640404
where:
bonds (distance) C4'-P energy: -25.164
bonds (distance) P-C4' energy: -20.676
flat angles C4'-P-C4' energy: -27.467
flat angles P-C4'-P energy: -15.769
tors. eta vs tors. theta energy: -33.564
Dist. restrs. and SS energy: 1.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -306.769021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.769021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.048670 (E_RNA)
where:
Base-Base interactions energy: -191.993
where: short stacking energy: -106.233
Base-Backbone interact. energy: -1.425
local terms energy: -113.631264
where:
bonds (distance) C4'-P energy: -22.939
bonds (distance) P-C4' energy: -22.222
flat angles C4'-P-C4' energy: -17.376
flat angles P-C4'-P energy: -17.522
tors. eta vs tors. theta energy: -33.572
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: 3, replica: 4
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -283.457391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.457391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.536591 (E_RNA)
where:
Base-Base interactions energy: -175.998
where: short stacking energy: -99.950
Base-Backbone interact. energy: -0.900
local terms energy: -106.638943
where:
bonds (distance) C4'-P energy: -21.064
bonds (distance) P-C4' energy: -22.052
flat angles C4'-P-C4' energy: -23.286
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -29.626
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: 267
Temperature: 1.050000
Total energy: -260.664295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.664295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.681841 (E_RNA)
where:
Base-Base interactions energy: -167.505
where: short stacking energy: -91.034
Base-Backbone interact. energy: -0.427
local terms energy: -92.749956
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -21.895
flat angles C4'-P-C4' energy: -22.959
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -19.751
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: 5, replica: 2
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -236.041107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.041107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.435494 (E_RNA)
where:
Base-Base interactions energy: -144.395
where: short stacking energy: -80.455
Base-Backbone interact. energy: -0.167
local terms energy: -91.873623
where:
bonds (distance) C4'-P energy: -24.534
bonds (distance) P-C4' energy: -21.002
flat angles C4'-P-C4' energy: -18.208
flat angles P-C4'-P energy: -13.638
tors. eta vs tors. theta energy: -14.492
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: 1
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -226.616274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.616274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.957725 (E_RNA)
where:
Base-Base interactions energy: -139.097
where: short stacking energy: -71.794
Base-Backbone interact. energy: -0.295
local terms energy: -87.565337
where:
bonds (distance) C4'-P energy: -16.254
bonds (distance) P-C4' energy: -23.209
flat angles C4'-P-C4' energy: -19.821
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -16.263
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: 7, replica: 6
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -227.922524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.922524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.945515 (E_RNA)
where:
Base-Base interactions energy: -142.842
where: short stacking energy: -71.967
Base-Backbone interact. energy: -0.347
local terms energy: -84.756611
where:
bonds (distance) C4'-P energy: -14.986
bonds (distance) P-C4' energy: -19.154
flat angles C4'-P-C4' energy: -23.082
flat angles P-C4'-P energy: -11.280
tors. eta vs tors. theta energy: -16.255
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: 7
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -222.498258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.498258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.421796 (E_RNA)
where:
Base-Base interactions energy: -140.738
where: short stacking energy: -66.421
Base-Backbone interact. energy: -0.718
local terms energy: -82.965547
where:
bonds (distance) C4'-P energy: -17.030
bonds (distance) P-C4' energy: -20.521
flat angles C4'-P-C4' energy: -17.268
flat angles P-C4'-P energy: -13.256
tors. eta vs tors. theta energy: -14.890
Dist. restrs. and SS energy: 1.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -211.824128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.824128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.992585 (E_RNA)
where:
Base-Base interactions energy: -136.881
where: short stacking energy: -56.758
Base-Backbone interact. energy: -0.424
local terms energy: -76.687316
where:
bonds (distance) C4'-P energy: -17.111
bonds (distance) P-C4' energy: -22.443
flat angles C4'-P-C4' energy: -18.054
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -8.464
Dist. restrs. and SS energy: 2.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -194.873949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.873949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.954688 (E_RNA)
where:
Base-Base interactions energy: -129.602
where: short stacking energy: -64.790
Base-Backbone interact. energy: -0.137
local terms energy: -65.216468
where:
bonds (distance) C4'-P energy: -17.363
bonds (distance) P-C4' energy: -8.915
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -13.464
tors. eta vs tors. theta energy: -10.007
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: 1, replica: 3
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -303.659818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.659818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.455525 (E_RNA)
where:
Base-Base interactions energy: -190.293
where: short stacking energy: -107.295
Base-Backbone interact. energy: 1.315
local terms energy: -115.477544
where:
bonds (distance) C4'-P energy: -24.534
bonds (distance) P-C4' energy: -22.581
flat angles C4'-P-C4' energy: -18.433
flat angles P-C4'-P energy: -20.004
tors. eta vs tors. theta energy: -29.927
Dist. restrs. and SS energy: 0.796 (S_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: 268
Temperature: 0.950000
Total energy: -311.557603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.557603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.665174 (E_RNA)
where:
Base-Base interactions energy: -195.011
where: short stacking energy: -108.920
Base-Backbone interact. energy: -0.001
local terms energy: -117.653407
where:
bonds (distance) C4'-P energy: -24.741
bonds (distance) P-C4' energy: -20.970
flat angles C4'-P-C4' energy: -21.130
flat angles P-C4'-P energy: -17.817
tors. eta vs tors. theta energy: -32.995
Dist. restrs. and SS energy: 1.108 (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: 4
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -266.743196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.743196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.844606 (E_RNA)
where:
Base-Base interactions energy: -165.367
where: short stacking energy: -91.796
Base-Backbone interact. energy: -0.207
local terms energy: -101.270897
where:
bonds (distance) C4'-P energy: -18.327
bonds (distance) P-C4' energy: -22.644
flat angles C4'-P-C4' energy: -20.555
flat angles P-C4'-P energy: -17.220
tors. eta vs tors. theta energy: -22.524
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: 8
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -277.325269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.325269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.326279 (E_RNA)
where:
Base-Base interactions energy: -167.497
where: short stacking energy: -95.161
Base-Backbone interact. energy: -0.940
local terms energy: -108.890153
where:
bonds (distance) C4'-P energy: -22.804
bonds (distance) P-C4' energy: -23.601
flat angles C4'-P-C4' energy: -23.769
flat angles P-C4'-P energy: -12.920
tors. eta vs tors. theta energy: -25.795
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -224.097894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.097894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.097894 (E_RNA)
where:
Base-Base interactions energy: -127.920
where: short stacking energy: -66.808
Base-Backbone interact. energy: -0.264
local terms energy: -95.913806
where:
bonds (distance) C4'-P energy: -22.117
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -23.431
flat angles P-C4'-P energy: -17.866
tors. eta vs tors. theta energy: -13.468
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -228.293110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.293110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.393001 (E_RNA)
where:
Base-Base interactions energy: -144.314
where: short stacking energy: -74.853
Base-Backbone interact. energy: -0.156
local terms energy: -83.923361
where:
bonds (distance) C4'-P energy: -18.928
bonds (distance) P-C4' energy: -20.174
flat angles C4'-P-C4' energy: -20.291
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -14.603
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: 6
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -215.458370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.458370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.704171 (E_RNA)
where:
Base-Base interactions energy: -131.875
where: short stacking energy: -62.714
Base-Backbone interact. energy: -0.218
local terms energy: -83.610500
where:
bonds (distance) C4'-P energy: -16.817
bonds (distance) P-C4' energy: -21.352
flat angles C4'-P-C4' energy: -21.579
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: -13.319
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: 7
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -225.808787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.808787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.987556 (E_RNA)
where:
Base-Base interactions energy: -131.603
where: short stacking energy: -61.941
Base-Backbone interact. energy: -0.184
local terms energy: -95.200085
where:
bonds (distance) C4'-P energy: -23.031
bonds (distance) P-C4' energy: -24.629
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -14.505
tors. eta vs tors. theta energy: -18.913
Dist. restrs. and SS energy: 1.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -212.133774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.133774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.315505 (E_RNA)
where:
Base-Base interactions energy: -128.414
where: short stacking energy: -63.391
Base-Backbone interact. energy: -0.177
local terms energy: -83.724656
where:
bonds (distance) C4'-P energy: -22.650
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -18.023
flat angles P-C4'-P energy: -14.059
tors. eta vs tors. theta energy: -13.265
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: 10
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -205.209802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.209802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.222597 (E_RNA)
where:
Base-Base interactions energy: -120.360
where: short stacking energy: -60.451
Base-Backbone interact. energy: -0.929
local terms energy: -83.933898
where:
bonds (distance) C4'-P energy: -23.665
bonds (distance) P-C4' energy: -23.387
flat angles C4'-P-C4' energy: -17.564
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -12.334
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: 3
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -296.321634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.321634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.931846 (E_RNA)
where:
Base-Base interactions energy: -185.747
where: short stacking energy: -108.672
Base-Backbone interact. energy: -0.004
local terms energy: -112.180241
where:
bonds (distance) C4'-P energy: -23.648
bonds (distance) P-C4' energy: -20.859
flat angles C4'-P-C4' energy: -24.785
flat angles P-C4'-P energy: -14.126
tors. eta vs tors. theta energy: -28.762
Dist. restrs. and SS energy: 1.610 (S_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: 269
Temperature: 0.950000
Total energy: -295.868871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.868871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.212226 (E_RNA)
where:
Base-Base interactions energy: -188.134
where: short stacking energy: -103.156
Base-Backbone interact. energy: 0.182
local terms energy: -109.260313
where:
bonds (distance) C4'-P energy: -23.436
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -22.456
flat angles P-C4'-P energy: -16.202
tors. eta vs tors. theta energy: -30.113
Dist. restrs. and SS energy: 1.343 (S_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: 269
Temperature: 1.000000
Total energy: -275.477990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.477990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.477990 (E_RNA)
where:
Base-Base interactions energy: -170.082
where: short stacking energy: -102.838
Base-Backbone interact. energy: -0.691
local terms energy: -104.705552
where:
bonds (distance) C4'-P energy: -16.047
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -24.105
flat angles P-C4'-P energy: -13.734
tors. eta vs tors. theta energy: -31.987
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: 4, replica: 8
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -281.506367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.506367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.551903 (E_RNA)
where:
Base-Base interactions energy: -175.104
where: short stacking energy: -101.130
Base-Backbone interact. energy: -2.743
local terms energy: -103.704745
where:
bonds (distance) C4'-P energy: -16.312
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -22.747
flat angles P-C4'-P energy: -17.868
tors. eta vs tors. theta energy: -32.496
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: 1
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -243.526393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.526393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.548633 (E_RNA)
where:
Base-Base interactions energy: -146.736
where: short stacking energy: -88.962
Base-Backbone interact. energy: -0.159
local terms energy: -96.653507
where:
bonds (distance) C4'-P energy: -19.301
bonds (distance) P-C4' energy: -21.450
flat angles C4'-P-C4' energy: -22.393
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: -25.438
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: 2
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -224.494884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.494884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.522906 (E_RNA)
where:
Base-Base interactions energy: -131.712
where: short stacking energy: -68.054
Base-Backbone interact. energy: -0.081
local terms energy: -92.729693
where:
bonds (distance) C4'-P energy: -18.505
bonds (distance) P-C4' energy: -19.300
flat angles C4'-P-C4' energy: -24.170
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -17.062
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: 6
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -227.040927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.040927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.110924 (E_RNA)
where:
Base-Base interactions energy: -133.463
where: short stacking energy: -68.232
Base-Backbone interact. energy: -0.712
local terms energy: -92.936334
where:
bonds (distance) C4'-P energy: -24.604
bonds (distance) P-C4' energy: -17.618
flat angles C4'-P-C4' energy: -17.475
flat angles P-C4'-P energy: -13.712
tors. eta vs tors. theta energy: -19.527
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: 5
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -226.677624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.677624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.350352 (E_RNA)
where:
Base-Base interactions energy: -131.173
where: short stacking energy: -70.104
Base-Backbone interact. energy: -0.167
local terms energy: -97.010453
where:
bonds (distance) C4'-P energy: -24.207
bonds (distance) P-C4' energy: -19.248
flat angles C4'-P-C4' energy: -25.867
flat angles P-C4'-P energy: -14.438
tors. eta vs tors. theta energy: -13.250
Dist. restrs. and SS energy: 1.673 (S_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: 269
Temperature: 1.300000
Total energy: -227.438618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.438618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.844699 (E_RNA)
where:
Base-Base interactions energy: -141.649
where: short stacking energy: -72.116
Base-Backbone interact. energy: -0.107
local terms energy: -88.088538
where:
bonds (distance) C4'-P energy: -17.813
bonds (distance) P-C4' energy: -18.284
flat angles C4'-P-C4' energy: -17.773
flat angles P-C4'-P energy: -13.472
tors. eta vs tors. theta energy: -20.746
Dist. restrs. and SS energy: 2.406 (S_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: 269
Temperature: 1.350000
Total energy: -206.903901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.903901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.304488 (E_RNA)
where:
Base-Base interactions energy: -125.527
where: short stacking energy: -58.039
Base-Backbone interact. energy: -0.958
local terms energy: -81.819166
where:
bonds (distance) C4'-P energy: -16.581
bonds (distance) P-C4' energy: -20.731
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -16.371
Dist. restrs. and SS energy: 1.401 (S_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: 270
Temperature: 0.900000
Total energy: -303.576295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.576295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.160049 (E_RNA)
where:
Base-Base interactions energy: -184.989
where: short stacking energy: -100.472
Base-Backbone interact. energy: 0.339
local terms energy: -120.509714
where:
bonds (distance) C4'-P energy: -23.862
bonds (distance) P-C4' energy: -24.148
flat angles C4'-P-C4' energy: -25.424
flat angles P-C4'-P energy: -18.018
tors. eta vs tors. theta energy: -29.057
Dist. restrs. and SS energy: 1.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -286.874361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.874361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.743810 (E_RNA)
where:
Base-Base interactions energy: -179.805
where: short stacking energy: -91.445
Base-Backbone interact. energy: -0.057
local terms energy: -107.881959
where:
bonds (distance) C4'-P energy: -21.603
bonds (distance) P-C4' energy: -19.457
flat angles C4'-P-C4' energy: -22.025
flat angles P-C4'-P energy: -17.867
tors. eta vs tors. theta energy: -26.930
Dist. restrs. and SS energy: 0.869 (S_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: 270
Temperature: 1.000000
Total energy: -278.132506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.132506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.453991 (E_RNA)
where:
Base-Base interactions energy: -175.700
where: short stacking energy: -98.125
Base-Backbone interact. energy: 0.724
local terms energy: -103.478160
where:
bonds (distance) C4'-P energy: -19.523
bonds (distance) P-C4' energy: -19.913
flat angles C4'-P-C4' energy: -17.657
flat angles P-C4'-P energy: -15.516
tors. eta vs tors. theta energy: -30.869
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: 4, replica: 9
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -248.086310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.086310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.138144 (E_RNA)
where:
Base-Base interactions energy: -150.259
where: short stacking energy: -79.193
Base-Backbone interact. energy: -0.188
local terms energy: -97.691158
where:
bonds (distance) C4'-P energy: -21.384
bonds (distance) P-C4' energy: -18.799
flat angles C4'-P-C4' energy: -18.810
flat angles P-C4'-P energy: -15.305
tors. eta vs tors. theta energy: -23.393
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -237.070239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.070239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.153619 (E_RNA)
where:
Base-Base interactions energy: -152.555
where: short stacking energy: -80.069
Base-Backbone interact. energy: -0.120
local terms energy: -84.478928
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -21.029
flat angles C4'-P-C4' energy: -16.944
flat angles P-C4'-P energy: -12.769
tors. eta vs tors. theta energy: -18.570
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -237.236457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.236457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.252929 (E_RNA)
where:
Base-Base interactions energy: -146.133
where: short stacking energy: -83.272
Base-Backbone interact. energy: -0.582
local terms energy: -90.537949
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -18.906
flat angles C4'-P-C4' energy: -21.578
flat angles P-C4'-P energy: -13.676
tors. eta vs tors. theta energy: -22.705
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: 5
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -206.884136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.884136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.954088 (E_RNA)
where:
Base-Base interactions energy: -118.792
where: short stacking energy: -53.297
Base-Backbone interact. energy: -0.200
local terms energy: -87.961463
where:
bonds (distance) C4'-P energy: -25.031
bonds (distance) P-C4' energy: -22.792
flat angles C4'-P-C4' energy: -16.340
flat angles P-C4'-P energy: -14.200
tors. eta vs tors. theta energy: -9.598
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: 8, replica: 6
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -233.802282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.802282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.803342 (E_RNA)
where:
Base-Base interactions energy: -134.166
where: short stacking energy: -66.675
Base-Backbone interact. energy: -0.261
local terms energy: -99.375849
where:
bonds (distance) C4'-P energy: -23.458
bonds (distance) P-C4' energy: -18.764
flat angles C4'-P-C4' energy: -23.818
flat angles P-C4'-P energy: -15.128
tors. eta vs tors. theta energy: -18.207
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: 7
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -226.901032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.901032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.937642 (E_RNA)
where:
Base-Base interactions energy: -142.484
where: short stacking energy: -77.317
Base-Backbone interact. energy: -0.109
local terms energy: -84.344524
where:
bonds (distance) C4'-P energy: -18.932
bonds (distance) P-C4' energy: -17.253
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -7.701
tors. eta vs tors. theta energy: -24.327
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: 10
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -201.544778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.544778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.559170 (E_RNA)
where:
Base-Base interactions energy: -126.836
where: short stacking energy: -59.115
Base-Backbone interact. energy: -0.121
local terms energy: -74.602076
where:
bonds (distance) C4'-P energy: -18.590
bonds (distance) P-C4' energy: -19.712
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -12.458
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: 4
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -308.303081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.303081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.363870 (E_RNA)
where:
Base-Base interactions energy: -194.573
where: short stacking energy: -112.839
Base-Backbone interact. energy: -0.245
local terms energy: -113.546315
where:
bonds (distance) C4'-P energy: -18.969
bonds (distance) P-C4' energy: -22.317
flat angles C4'-P-C4' energy: -26.933
flat angles P-C4'-P energy: -14.162
tors. eta vs tors. theta energy: -31.166
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: 3
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -270.343972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.343972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.355776 (E_RNA)
where:
Base-Base interactions energy: -167.443
where: short stacking energy: -92.217
Base-Backbone interact. energy: -0.009
local terms energy: -102.903284
where:
bonds (distance) C4'-P energy: -18.559
bonds (distance) P-C4' energy: -22.069
flat angles C4'-P-C4' energy: -22.847
flat angles P-C4'-P energy: -14.635
tors. eta vs tors. theta energy: -24.793
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: 8
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -283.975851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.975851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.045650 (E_RNA)
where:
Base-Base interactions energy: -180.086
where: short stacking energy: -104.883
Base-Backbone interact. energy: -0.028
local terms energy: -103.931937
where:
bonds (distance) C4'-P energy: -18.979
bonds (distance) P-C4' energy: -19.508
flat angles C4'-P-C4' energy: -21.771
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -33.447
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: 2
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -255.910032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.910032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.910032 (E_RNA)
where:
Base-Base interactions energy: -155.166
where: short stacking energy: -79.525
Base-Backbone interact. energy: -0.261
local terms energy: -100.482485
where:
bonds (distance) C4'-P energy: -22.840
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -25.416
flat angles P-C4'-P energy: -15.948
tors. eta vs tors. theta energy: -20.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -230.264632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.264632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.487654 (E_RNA)
where:
Base-Base interactions energy: -144.282
where: short stacking energy: -72.584
Base-Backbone interact. energy: -0.548
local terms energy: -85.657594
where:
bonds (distance) C4'-P energy: -19.789
bonds (distance) P-C4' energy: -20.960
flat angles C4'-P-C4' energy: -22.525
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -13.787
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: 6, replica: 1
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -224.885819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.885819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.953794 (E_RNA)
where:
Base-Base interactions energy: -139.836
where: short stacking energy: -64.844
Base-Backbone interact. energy: 0.103
local terms energy: -85.221210
where:
bonds (distance) C4'-P energy: -18.012
bonds (distance) P-C4' energy: -25.837
flat angles C4'-P-C4' energy: -18.026
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -12.058
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -213.270095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.270095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.467717 (E_RNA)
where:
Base-Base interactions energy: -124.249
where: short stacking energy: -65.136
Base-Backbone interact. energy: -0.214
local terms energy: -89.004527
where:
bonds (distance) C4'-P energy: -17.885
bonds (distance) P-C4' energy: -18.593
flat angles C4'-P-C4' energy: -22.365
flat angles P-C4'-P energy: -13.478
tors. eta vs tors. theta energy: -16.684
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: 8, replica: 7
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -227.535362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.535362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.607631 (E_RNA)
where:
Base-Base interactions energy: -134.230
where: short stacking energy: -70.406
Base-Backbone interact. energy: -0.995
local terms energy: -92.382638
where:
bonds (distance) C4'-P energy: -22.001
bonds (distance) P-C4' energy: -19.516
flat angles C4'-P-C4' energy: -20.386
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -18.304
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: 6
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -206.103943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.103943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.358168 (E_RNA)
where:
Base-Base interactions energy: -128.136
where: short stacking energy: -63.715
Base-Backbone interact. energy: -0.122
local terms energy: -78.100687
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -18.554
flat angles C4'-P-C4' energy: -21.683
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -14.767
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: 10
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -210.747346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.747346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.850658 (E_RNA)
where:
Base-Base interactions energy: -130.457
where: short stacking energy: -65.149
Base-Backbone interact. energy: -0.059
local terms energy: -82.334842
where:
bonds (distance) C4'-P energy: -18.441
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -21.295
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -15.793
Dist. restrs. and SS energy: 2.103 (S_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: 272
Temperature: 0.900000
Total energy: -307.826533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.826533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.363047 (E_RNA)
where:
Base-Base interactions energy: -186.701
where: short stacking energy: -115.604
Base-Backbone interact. energy: -0.022
local terms energy: -121.639937
where:
bonds (distance) C4'-P energy: -25.378
bonds (distance) P-C4' energy: -22.638
flat angles C4'-P-C4' energy: -24.985
flat angles P-C4'-P energy: -19.117
tors. eta vs tors. theta energy: -29.522
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: 2, replica: 3
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -261.188753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.188753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.293306 (E_RNA)
where:
Base-Base interactions energy: -163.303
where: short stacking energy: -95.284
Base-Backbone interact. energy: -0.029
local terms energy: -97.962241
where:
bonds (distance) C4'-P energy: -17.533
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -19.645
flat angles P-C4'-P energy: -14.447
tors. eta vs tors. theta energy: -28.084
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -288.524313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.524313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.524313 (E_RNA)
where:
Base-Base interactions energy: -178.197
where: short stacking energy: -103.005
Base-Backbone interact. energy: -0.126
local terms energy: -110.202027
where:
bonds (distance) C4'-P energy: -23.134
bonds (distance) P-C4' energy: -22.321
flat angles C4'-P-C4' energy: -16.127
flat angles P-C4'-P energy: -19.167
tors. eta vs tors. theta energy: -29.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -258.445724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.445724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.446794 (E_RNA)
where:
Base-Base interactions energy: -155.725
where: short stacking energy: -84.608
Base-Backbone interact. energy: -0.210
local terms energy: -102.511351
where:
bonds (distance) C4'-P energy: -24.804
bonds (distance) P-C4' energy: -24.300
flat angles C4'-P-C4' energy: -19.285
flat angles P-C4'-P energy: -13.443
tors. eta vs tors. theta energy: -20.679
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -271.457233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.457233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.533402 (E_RNA)
where:
Base-Base interactions energy: -154.558
where: short stacking energy: -91.589
Base-Backbone interact. energy: -0.041
local terms energy: -116.933942
where:
bonds (distance) C4'-P energy: -21.685
bonds (distance) P-C4' energy: -23.035
flat angles C4'-P-C4' energy: -24.270
flat angles P-C4'-P energy: -16.134
tors. eta vs tors. theta energy: -31.810
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: 9
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -222.712214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.712214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.774293 (E_RNA)
where:
Base-Base interactions energy: -135.179
where: short stacking energy: -67.840
Base-Backbone interact. energy: -0.051
local terms energy: -87.544179
where:
bonds (distance) C4'-P energy: -21.721
bonds (distance) P-C4' energy: -16.965
flat angles C4'-P-C4' energy: -18.188
flat angles P-C4'-P energy: -15.746
tors. eta vs tors. theta energy: -14.925
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: 7
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -214.494086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.494086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.510186 (E_RNA)
where:
Base-Base interactions energy: -136.071
where: short stacking energy: -68.029
Base-Backbone interact. energy: -0.591
local terms energy: -77.848279
where:
bonds (distance) C4'-P energy: -20.129
bonds (distance) P-C4' energy: -19.158
flat angles C4'-P-C4' energy: -19.583
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -8.344
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: 272
Temperature: 1.250000
Total energy: -216.447625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.447625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.110583 (E_RNA)
where:
Base-Base interactions energy: -134.366
where: short stacking energy: -62.142
Base-Backbone interact. energy: -0.071
local terms energy: -83.672896
where:
bonds (distance) C4'-P energy: -19.473
bonds (distance) P-C4' energy: -19.662
flat angles C4'-P-C4' energy: -18.891
flat angles P-C4'-P energy: -12.278
tors. eta vs tors. theta energy: -13.368
Dist. restrs. and SS energy: 1.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -207.139643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.139643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.561438 (E_RNA)
where:
Base-Base interactions energy: -138.565
where: short stacking energy: -63.128
Base-Backbone interact. energy: 0.776
local terms energy: -69.772509
where:
bonds (distance) C4'-P energy: -25.444
bonds (distance) P-C4' energy: -11.409
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -8.850
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: 6
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -188.018810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.018810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.029228 (E_RNA)
where:
Base-Base interactions energy: -110.468
where: short stacking energy: -49.599
Base-Backbone interact. energy: -0.823
local terms energy: -76.738107
where:
bonds (distance) C4'-P energy: -21.738
bonds (distance) P-C4' energy: -21.687
flat angles C4'-P-C4' energy: -11.798
flat angles P-C4'-P energy: -14.476
tors. eta vs tors. theta energy: -7.039
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: 1, replica: 4
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -299.533327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.533327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.571168 (E_RNA)
where:
Base-Base interactions energy: -183.829
where: short stacking energy: -108.780
Base-Backbone interact. energy: -0.431
local terms energy: -115.310884
where:
bonds (distance) C4'-P energy: -22.356
bonds (distance) P-C4' energy: -21.953
flat angles C4'-P-C4' energy: -23.652
flat angles P-C4'-P energy: -18.539
tors. eta vs tors. theta energy: -28.812
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: 3
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -291.267864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.267864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.395097 (E_RNA)
where:
Base-Base interactions energy: -173.543
where: short stacking energy: -105.837
Base-Backbone interact. energy: -0.192
local terms energy: -117.660129
where:
bonds (distance) C4'-P energy: -19.076
bonds (distance) P-C4' energy: -21.997
flat angles C4'-P-C4' energy: -24.355
flat angles P-C4'-P energy: -20.126
tors. eta vs tors. theta energy: -32.106
Dist. restrs. and SS energy: 0.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -268.226575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.226575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.308492 (E_RNA)
where:
Base-Base interactions energy: -161.993
where: short stacking energy: -86.524
Base-Backbone interact. energy: -0.174
local terms energy: -106.140639
where:
bonds (distance) C4'-P energy: -23.019
bonds (distance) P-C4' energy: -22.308
flat angles C4'-P-C4' energy: -21.301
flat angles P-C4'-P energy: -13.688
tors. eta vs tors. theta energy: -25.825
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: 1
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -276.211711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.211711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.229728 (E_RNA)
where:
Base-Base interactions energy: -162.001
where: short stacking energy: -82.643
Base-Backbone interact. energy: -0.655
local terms energy: -113.574399
where:
bonds (distance) C4'-P energy: -17.884
bonds (distance) P-C4' energy: -20.478
flat angles C4'-P-C4' energy: -28.129
flat angles P-C4'-P energy: -18.491
tors. eta vs tors. theta energy: -28.592
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: 2
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -253.309448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.309448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.334843 (E_RNA)
where:
Base-Base interactions energy: -145.579
where: short stacking energy: -79.980
Base-Backbone interact. energy: -0.424
local terms energy: -107.331732
where:
bonds (distance) C4'-P energy: -21.354
bonds (distance) P-C4' energy: -21.922
flat angles C4'-P-C4' energy: -23.467
flat angles P-C4'-P energy: -16.877
tors. eta vs tors. theta energy: -23.712
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: 7
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -224.271088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.271088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.271088 (E_RNA)
where:
Base-Base interactions energy: -136.793
where: short stacking energy: -77.007
Base-Backbone interact. energy: -0.123
local terms energy: -87.354894
where:
bonds (distance) C4'-P energy: -23.784
bonds (distance) P-C4' energy: -22.301
flat angles C4'-P-C4' energy: -10.377
flat angles P-C4'-P energy: -13.211
tors. eta vs tors. theta energy: -17.683
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -227.410476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.410476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.410476 (E_RNA)
where:
Base-Base interactions energy: -143.292
where: short stacking energy: -71.333
Base-Backbone interact. energy: -0.057
local terms energy: -84.061509
where:
bonds (distance) C4'-P energy: -18.271
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -20.145
flat angles P-C4'-P energy: -14.387
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: 8, replica: 10
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -214.758368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.758368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.520493 (E_RNA)
where:
Base-Base interactions energy: -139.719
where: short stacking energy: -73.696
Base-Backbone interact. energy: -0.203
local terms energy: -76.599237
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -19.699
flat angles C4'-P-C4' energy: -19.044
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -14.928
Dist. restrs. and SS energy: 1.762 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -212.027267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.027267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.067556 (E_RNA)
where:
Base-Base interactions energy: -126.928
where: short stacking energy: -67.181
Base-Backbone interact. energy: -0.117
local terms energy: -85.021631
where:
bonds (distance) C4'-P energy: -17.971
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -23.984
flat angles P-C4'-P energy: -6.164
tors. eta vs tors. theta energy: -19.137
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: 6
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -204.260453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.260453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.427318 (E_RNA)
where:
Base-Base interactions energy: -119.981
where: short stacking energy: -56.515
Base-Backbone interact. energy: -0.134
local terms energy: -84.312648
where:
bonds (distance) C4'-P energy: -17.492
bonds (distance) P-C4' energy: -21.276
flat angles C4'-P-C4' energy: -19.383
flat angles P-C4'-P energy: -14.113
tors. eta vs tors. theta energy: -12.048
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: 1, replica: 4
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -312.147204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.147204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.148792 (E_RNA)
where:
Base-Base interactions energy: -197.547
where: short stacking energy: -122.923
Base-Backbone interact. energy: -0.716
local terms energy: -113.885967
where:
bonds (distance) C4'-P energy: -18.176
bonds (distance) P-C4' energy: -21.505
flat angles C4'-P-C4' energy: -24.750
flat angles P-C4'-P energy: -16.980
tors. eta vs tors. theta energy: -32.475
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -294.474389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.474389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.973939 (E_RNA)
where:
Base-Base interactions energy: -182.807
where: short stacking energy: -106.826
Base-Backbone interact. energy: -0.225
local terms energy: -112.941710
where:
bonds (distance) C4'-P energy: -23.416
bonds (distance) P-C4' energy: -20.281
flat angles C4'-P-C4' energy: -22.393
flat angles P-C4'-P energy: -18.287
tors. eta vs tors. theta energy: -28.564
Dist. restrs. and SS energy: 1.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -278.080177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.080177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.421835 (E_RNA)
where:
Base-Base interactions energy: -164.104
where: short stacking energy: -94.541
Base-Backbone interact. energy: -0.062
local terms energy: -114.255466
where:
bonds (distance) C4'-P energy: -24.943
bonds (distance) P-C4' energy: -24.300
flat angles C4'-P-C4' energy: -21.248
flat angles P-C4'-P energy: -18.493
tors. eta vs tors. theta energy: -25.271
Dist. restrs. and SS energy: 0.342 (S_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: 274
Temperature: 1.050000
Total energy: -244.524053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.524053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.524053 (E_RNA)
where:
Base-Base interactions energy: -152.693
where: short stacking energy: -81.294
Base-Backbone interact. energy: -0.324
local terms energy: -91.507813
where:
bonds (distance) C4'-P energy: -10.402
bonds (distance) P-C4' energy: -23.467
flat angles C4'-P-C4' energy: -27.438
flat angles P-C4'-P energy: -14.292
tors. eta vs tors. theta energy: -15.908
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: 5, replica: 7
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -238.451502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.451502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.718839 (E_RNA)
where:
Base-Base interactions energy: -136.512
where: short stacking energy: -68.150
Base-Backbone interact. energy: -0.046
local terms energy: -102.160210
where:
bonds (distance) C4'-P energy: -20.005
bonds (distance) P-C4' energy: -22.154
flat angles C4'-P-C4' energy: -25.039
flat angles P-C4'-P energy: -15.274
tors. eta vs tors. theta energy: -19.688
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: 6, replica: 2
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -232.460523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.460523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.494595 (E_RNA)
where:
Base-Base interactions energy: -137.694
where: short stacking energy: -66.908
Base-Backbone interact. energy: -0.308
local terms energy: -94.492786
where:
bonds (distance) C4'-P energy: -20.637
bonds (distance) P-C4' energy: -24.032
flat angles C4'-P-C4' energy: -23.189
flat angles P-C4'-P energy: -11.950
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: 7, replica: 10
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -232.498000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.498000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.621966 (E_RNA)
where:
Base-Base interactions energy: -140.367
where: short stacking energy: -69.564
Base-Backbone interact. energy: -0.394
local terms energy: -91.861339
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -20.030
flat angles C4'-P-C4' energy: -17.269
flat angles P-C4'-P energy: -17.120
tors. eta vs tors. theta energy: -20.139
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: 9
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -210.788765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.788765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.901267 (E_RNA)
where:
Base-Base interactions energy: -127.028
where: short stacking energy: -66.940
Base-Backbone interact. energy: 0.686
local terms energy: -84.559601
where:
bonds (distance) C4'-P energy: -22.539
bonds (distance) P-C4' energy: -20.028
flat angles C4'-P-C4' energy: -14.068
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -19.438
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: 6
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -201.691254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.691254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.752984 (E_RNA)
where:
Base-Base interactions energy: -122.477
where: short stacking energy: -56.492
Base-Backbone interact. energy: -0.041
local terms energy: -79.235318
where:
bonds (distance) C4'-P energy: -16.908
bonds (distance) P-C4' energy: -25.313
flat angles C4'-P-C4' energy: -18.840
flat angles P-C4'-P energy: -6.430
tors. eta vs tors. theta energy: -11.745
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: 5
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -205.233850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.233850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.384433 (E_RNA)
where:
Base-Base interactions energy: -123.446
where: short stacking energy: -64.271
Base-Backbone interact. energy: -0.368
local terms energy: -81.569546
where:
bonds (distance) C4'-P energy: -11.518
bonds (distance) P-C4' energy: -18.024
flat angles C4'-P-C4' energy: -19.402
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -22.464
Dist. restrs. and SS energy: 0.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -308.277731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.277731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.277731 (E_RNA)
where:
Base-Base interactions energy: -185.994
where: short stacking energy: -109.912
Base-Backbone interact. energy: -0.211
local terms energy: -122.072305
where:
bonds (distance) C4'-P energy: -23.825
bonds (distance) P-C4' energy: -24.806
flat angles C4'-P-C4' energy: -23.573
flat angles P-C4'-P energy: -19.293
tors. eta vs tors. theta energy: -30.575
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: 2, replica: 1
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -274.526318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.526318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.437968 (E_RNA)
where:
Base-Base interactions energy: -172.377
where: short stacking energy: -92.801
Base-Backbone interact. energy: -0.074
local terms energy: -103.986453
where:
bonds (distance) C4'-P energy: -21.748
bonds (distance) P-C4' energy: -24.726
flat angles C4'-P-C4' energy: -23.438
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -22.572
Dist. restrs. and SS energy: 1.912 (S_DIST_RNA)
chem. 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: -268.698054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.698054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.912634 (E_RNA)
where:
Base-Base interactions energy: -167.106
where: short stacking energy: -87.421
Base-Backbone interact. energy: -0.102
local terms energy: -102.704483
where:
bonds (distance) C4'-P energy: -19.779
bonds (distance) P-C4' energy: -20.355
flat angles C4'-P-C4' energy: -24.482
flat angles P-C4'-P energy: -14.423
tors. eta vs tors. theta energy: -23.666
Dist. restrs. and SS energy: 1.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -243.492487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.492487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.583375 (E_RNA)
where:
Base-Base interactions energy: -147.017
where: short stacking energy: -77.002
Base-Backbone interact. energy: -0.984
local terms energy: -95.581974
where:
bonds (distance) C4'-P energy: -18.099
bonds (distance) P-C4' energy: -22.268
flat angles C4'-P-C4' energy: -21.339
flat angles P-C4'-P energy: -18.474
tors. eta vs tors. theta energy: -15.401
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: 8
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -249.499204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.499204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.597281 (E_RNA)
where:
Base-Base interactions energy: -145.579
where: short stacking energy: -74.630
Base-Backbone interact. energy: -0.310
local terms energy: -103.707666
where:
bonds (distance) C4'-P energy: -19.328
bonds (distance) P-C4' energy: -27.570
flat angles C4'-P-C4' energy: -24.574
flat angles P-C4'-P energy: -13.248
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: 6, replica: 10
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -244.282130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.282130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.282130 (E_RNA)
where:
Base-Base interactions energy: -152.555
where: short stacking energy: -87.560
Base-Backbone interact. energy: 0.753
local terms energy: -92.480796
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -19.466
flat angles C4'-P-C4' energy: -21.375
flat angles P-C4'-P energy: -15.315
tors. eta vs tors. theta energy: -19.304
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -221.302597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.302597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.512612 (E_RNA)
where:
Base-Base interactions energy: -126.607
where: short stacking energy: -67.456
Base-Backbone interact. energy: -0.834
local terms energy: -94.071189
where:
bonds (distance) C4'-P energy: -18.660
bonds (distance) P-C4' energy: -25.212
flat angles C4'-P-C4' energy: -20.366
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -20.144
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: 9
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -219.670281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.670281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.804630 (E_RNA)
where:
Base-Base interactions energy: -142.022
where: short stacking energy: -74.022
Base-Backbone interact. energy: 4.759
local terms energy: -82.541276
where:
bonds (distance) C4'-P energy: -9.912
bonds (distance) P-C4' energy: -24.899
flat angles C4'-P-C4' energy: -23.414
flat angles P-C4'-P energy: -7.644
tors. eta vs tors. theta energy: -16.672
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: 6
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -212.307096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.307096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.436650 (E_RNA)
where:
Base-Base interactions energy: -130.261
where: short stacking energy: -64.683
Base-Backbone interact. energy: -0.238
local terms energy: -81.937171
where:
bonds (distance) C4'-P energy: -18.978
bonds (distance) P-C4' energy: -19.330
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -13.184
tors. eta vs tors. theta energy: -15.849
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -188.862667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.862667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.982130 (E_RNA)
where:
Base-Base interactions energy: -108.811
where: short stacking energy: -46.993
Base-Backbone interact. energy: -0.497
local terms energy: -79.673751
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -25.427
flat angles C4'-P-C4' energy: -21.225
flat angles P-C4'-P energy: -15.404
tors. eta vs tors. theta energy: -3.793
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: 4
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -312.885931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.885931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.889136 (E_RNA)
where:
Base-Base interactions energy: -189.194
where: short stacking energy: -113.599
Base-Backbone interact. energy: -0.026
local terms energy: -123.669551
where:
bonds (distance) C4'-P energy: -19.835
bonds (distance) P-C4' energy: -23.714
flat angles C4'-P-C4' energy: -25.565
flat angles P-C4'-P energy: -19.705
tors. eta vs tors. theta energy: -34.850
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: 276
Temperature: 0.950000
Total energy: -282.256091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.256091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.584225 (E_RNA)
where:
Base-Base interactions energy: -173.594
where: short stacking energy: -84.060
Base-Backbone interact. energy: -0.076
local terms energy: -108.914283
where:
bonds (distance) C4'-P energy: -25.226
bonds (distance) P-C4' energy: -22.013
flat angles C4'-P-C4' energy: -22.246
flat angles P-C4'-P energy: -15.096
tors. eta vs tors. theta energy: -24.333
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: 3, replica: 3
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -293.952838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.952838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.531511 (E_RNA)
where:
Base-Base interactions energy: -185.328
where: short stacking energy: -97.165
Base-Backbone interact. energy: -0.683
local terms energy: -108.520247
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -20.846
flat angles C4'-P-C4' energy: -22.961
flat angles P-C4'-P energy: -13.917
tors. eta vs tors. theta energy: -34.318
Dist. restrs. and SS energy: 0.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -255.704545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.704545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.817678 (E_RNA)
where:
Base-Base interactions energy: -156.632
where: short stacking energy: -87.032
Base-Backbone interact. energy: -0.316
local terms energy: -98.870019
where:
bonds (distance) C4'-P energy: -20.514
bonds (distance) P-C4' energy: -17.525
flat angles C4'-P-C4' energy: -24.579
flat angles P-C4'-P energy: -11.961
tors. eta vs tors. theta energy: -24.292
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -237.807661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.807661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.939684 (E_RNA)
where:
Base-Base interactions energy: -136.164
where: short stacking energy: -71.188
Base-Backbone interact. energy: -0.134
local terms energy: -101.642112
where:
bonds (distance) C4'-P energy: -26.288
bonds (distance) P-C4' energy: -24.801
flat angles C4'-P-C4' energy: -16.737
flat angles P-C4'-P energy: -15.255
tors. eta vs tors. theta energy: -18.561
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -239.415489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.415489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.429873 (E_RNA)
where:
Base-Base interactions energy: -138.243
where: short stacking energy: -71.003
Base-Backbone interact. energy: -0.154
local terms energy: -101.032984
where:
bonds (distance) C4'-P energy: -23.327
bonds (distance) P-C4' energy: -21.686
flat angles C4'-P-C4' energy: -20.641
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -24.008
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -229.377721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.377721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.394423 (E_RNA)
where:
Base-Base interactions energy: -139.710
where: short stacking energy: -70.351
Base-Backbone interact. energy: -0.084
local terms energy: -89.600945
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -25.625
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -14.303
tors. eta vs tors. theta energy: -17.479
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: 2
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -222.303422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.303422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.369872 (E_RNA)
where:
Base-Base interactions energy: -128.830
where: short stacking energy: -71.559
Base-Backbone interact. energy: -0.130
local terms energy: -93.409973
where:
bonds (distance) C4'-P energy: -19.023
bonds (distance) P-C4' energy: -20.434
flat angles C4'-P-C4' energy: -23.869
flat angles P-C4'-P energy: -13.395
tors. eta vs tors. theta energy: -16.690
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: 5
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -209.553855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.553855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.814032 (E_RNA)
where:
Base-Base interactions energy: -124.283
where: short stacking energy: -67.306
Base-Backbone interact. energy: -0.139
local terms energy: -85.392354
where:
bonds (distance) C4'-P energy: -15.901
bonds (distance) P-C4' energy: -17.655
flat angles C4'-P-C4' energy: -17.631
flat angles P-C4'-P energy: -16.108
tors. eta vs tors. theta energy: -18.097
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: 10, replica: 6
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -220.105867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.105867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.058333 (E_RNA)
where:
Base-Base interactions energy: -139.436
where: short stacking energy: -68.423
Base-Backbone interact. energy: -0.057
local terms energy: -82.566171
where:
bonds (distance) C4'-P energy: -16.389
bonds (distance) P-C4' energy: -21.006
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -17.970
Dist. restrs. and SS energy: 1.952 (S_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: 277
Temperature: 0.900000
Total energy: -301.222943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.222943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.362884 (E_RNA)
where:
Base-Base interactions energy: -190.179
where: short stacking energy: -109.100
Base-Backbone interact. energy: -0.052
local terms energy: -111.131822
where:
bonds (distance) C4'-P energy: -26.678
bonds (distance) P-C4' energy: -19.962
flat angles C4'-P-C4' energy: -22.301
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -31.152
Dist. restrs. and SS energy: 0.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -275.394555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.394555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.829894 (E_RNA)
where:
Base-Base interactions energy: -171.590
where: short stacking energy: -92.204
Base-Backbone interact. energy: -0.277
local terms energy: -104.962469
where:
bonds (distance) C4'-P energy: -19.110
bonds (distance) P-C4' energy: -23.029
flat angles C4'-P-C4' energy: -19.702
flat angles P-C4'-P energy: -16.329
tors. eta vs tors. theta energy: -26.792
Dist. restrs. and SS energy: 1.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -280.142946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.142946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.342196 (E_RNA)
where:
Base-Base interactions energy: -175.008
where: short stacking energy: -86.627
Base-Backbone interact. energy: -0.044
local terms energy: -106.289454
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -23.239
flat angles C4'-P-C4' energy: -24.603
flat angles P-C4'-P energy: -21.069
tors. eta vs tors. theta energy: -21.909
Dist. restrs. and SS energy: 1.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -239.948617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.948617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.428304 (E_RNA)
where:
Base-Base interactions energy: -136.383
where: short stacking energy: -64.543
Base-Backbone interact. energy: -0.572
local terms energy: -103.472979
where:
bonds (distance) C4'-P energy: -24.377
bonds (distance) P-C4' energy: -24.224
flat angles C4'-P-C4' energy: -23.367
flat angles P-C4'-P energy: -12.821
tors. eta vs tors. theta energy: -18.684
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: 5, replica: 7
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -250.430291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.430291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.446176 (E_RNA)
where:
Base-Base interactions energy: -146.396
where: short stacking energy: -72.862
Base-Backbone interact. energy: -1.246
local terms energy: -103.803868
where:
bonds (distance) C4'-P energy: -19.131
bonds (distance) P-C4' energy: -24.025
flat angles C4'-P-C4' energy: -21.904
flat angles P-C4'-P energy: -13.876
tors. eta vs tors. theta energy: -24.868
Dist. restrs. and SS energy: 1.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -233.381994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.381994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.456793 (E_RNA)
where:
Base-Base interactions energy: -146.416
where: short stacking energy: -81.994
Base-Backbone interact. energy: -0.098
local terms energy: -86.942635
where:
bonds (distance) C4'-P energy: -20.488
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -18.652
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -18.494
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: 277
Temperature: 1.200000
Total energy: -217.909575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.909575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.203992 (E_RNA)
where:
Base-Base interactions energy: -131.888
where: short stacking energy: -70.638
Base-Backbone interact. energy: -0.038
local terms energy: -86.277837
where:
bonds (distance) C4'-P energy: -18.974
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -21.450
flat angles P-C4'-P energy: -13.191
tors. eta vs tors. theta energy: -17.739
Dist. restrs. and SS energy: 0.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -222.253392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.253392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.417893 (E_RNA)
where:
Base-Base interactions energy: -139.855
where: short stacking energy: -59.845
Base-Backbone interact. energy: -0.289
local terms energy: -84.273558
where:
bonds (distance) C4'-P energy: -21.628
bonds (distance) P-C4' energy: -17.332
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -12.597
tors. eta vs tors. theta energy: -15.306
Dist. restrs. and SS energy: 2.165 (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: 277
Temperature: 1.300000
Total energy: -210.015087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.015087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.340154 (E_RNA)
where:
Base-Base interactions energy: -127.085
where: short stacking energy: -61.515
Base-Backbone interact. energy: -0.107
local terms energy: -84.148295
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -20.953
flat angles C4'-P-C4' energy: -21.242
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -16.745
Dist. restrs. and SS energy: 1.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -222.210199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.210199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.543930 (E_RNA)
where:
Base-Base interactions energy: -137.089
where: short stacking energy: -74.639
Base-Backbone interact. energy: -0.194
local terms energy: -85.260732
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -20.196
flat angles C4'-P-C4' energy: -18.176
flat angles P-C4'-P energy: -13.482
tors. eta vs tors. theta energy: -17.637
Dist. restrs. and SS energy: 0.334 (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: 3
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -304.580029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.580029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.580029 (E_RNA)
where:
Base-Base interactions energy: -187.189
where: short stacking energy: -110.580
Base-Backbone interact. energy: -0.128
local terms energy: -117.263203
where:
bonds (distance) C4'-P energy: -22.208
bonds (distance) P-C4' energy: -24.401
flat angles C4'-P-C4' energy: -23.502
flat angles P-C4'-P energy: -15.893
tors. eta vs tors. theta energy: -31.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -283.099984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.099984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.181047 (E_RNA)
where:
Base-Base interactions energy: -172.173
where: short stacking energy: -101.509
Base-Backbone interact. energy: -0.259
local terms energy: -110.749141
where:
bonds (distance) C4'-P energy: -22.650
bonds (distance) P-C4' energy: -21.665
flat angles C4'-P-C4' energy: -22.645
flat angles P-C4'-P energy: -14.947
tors. eta vs tors. theta energy: -28.843
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -276.147675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.147675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.489875 (E_RNA)
where:
Base-Base interactions energy: -167.613
where: short stacking energy: -92.827
Base-Backbone interact. energy: -0.059
local terms energy: -108.817994
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -23.870
flat angles C4'-P-C4' energy: -26.389
flat angles P-C4'-P energy: -14.266
tors. eta vs tors. theta energy: -22.919
Dist. restrs. and SS energy: 0.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -253.781731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.781731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.402688 (E_RNA)
where:
Base-Base interactions energy: -166.430
where: short stacking energy: -80.605
Base-Backbone interact. energy: -0.105
local terms energy: -88.868228
where:
bonds (distance) C4'-P energy: -20.592
bonds (distance) P-C4' energy: -21.271
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -20.871
Dist. restrs. and SS energy: 1.621 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -265.223879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.223879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.224658 (E_RNA)
where:
Base-Base interactions energy: -156.523
where: short stacking energy: -87.140
Base-Backbone interact. energy: -0.088
local terms energy: -108.612900
where:
bonds (distance) C4'-P energy: -18.071
bonds (distance) P-C4' energy: -23.346
flat angles C4'-P-C4' energy: -23.762
flat angles P-C4'-P energy: -16.910
tors. eta vs tors. theta energy: -26.524
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: 278
Temperature: 1.150000
Total energy: -245.954920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.954920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.915699 (E_RNA)
where:
Base-Base interactions energy: -157.711
where: short stacking energy: -82.641
Base-Backbone interact. energy: -0.002
local terms energy: -89.202980
where:
bonds (distance) C4'-P energy: -18.941
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -19.274
flat angles P-C4'-P energy: -17.822
tors. eta vs tors. theta energy: -14.762
Dist. restrs. and SS energy: 0.961 (S_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: 278
Temperature: 1.200000
Total energy: -224.813677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.813677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.944262 (E_RNA)
where:
Base-Base interactions energy: -124.035
where: short stacking energy: -61.013
Base-Backbone interact. energy: -0.057
local terms energy: -100.851906
where:
bonds (distance) C4'-P energy: -21.182
bonds (distance) P-C4' energy: -26.358
flat angles C4'-P-C4' energy: -18.863
flat angles P-C4'-P energy: -18.728
tors. eta vs tors. theta energy: -15.721
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: 8
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -233.458715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.458715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.516149 (E_RNA)
where:
Base-Base interactions energy: -153.528
where: short stacking energy: -72.503
Base-Backbone interact. energy: -0.112
local terms energy: -79.876193
where:
bonds (distance) C4'-P energy: -11.086
bonds (distance) P-C4' energy: -21.213
flat angles C4'-P-C4' energy: -23.064
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -15.947
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: 6
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -210.554842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.554842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.896307 (E_RNA)
where:
Base-Base interactions energy: -122.409
where: short stacking energy: -57.792
Base-Backbone interact. energy: -0.753
local terms energy: -87.734361
where:
bonds (distance) C4'-P energy: -20.604
bonds (distance) P-C4' energy: -21.656
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -17.668
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: 10, replica: 5
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -196.506894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.506894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.830742 (E_RNA)
where:
Base-Base interactions energy: -116.410
where: short stacking energy: -51.676
Base-Backbone interact. energy: -0.502
local terms energy: -79.918560
where:
bonds (distance) C4'-P energy: -20.070
bonds (distance) P-C4' energy: -20.140
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -12.482
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: 1, replica: 3
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -279.984156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.984156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.987312 (E_RNA)
where:
Base-Base interactions energy: -166.194
where: short stacking energy: -92.893
Base-Backbone interact. energy: -0.021
local terms energy: -113.772893
where:
bonds (distance) C4'-P energy: -22.833
bonds (distance) P-C4' energy: -24.814
flat angles C4'-P-C4' energy: -21.594
flat angles P-C4'-P energy: -20.169
tors. eta vs tors. theta energy: -24.362
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: 279
Temperature: 0.950000
Total energy: -295.859524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.859524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.868076 (E_RNA)
where:
Base-Base interactions energy: -181.961
where: short stacking energy: -103.582
Base-Backbone interact. energy: -0.013
local terms energy: -113.894122
where:
bonds (distance) C4'-P energy: -19.110
bonds (distance) P-C4' energy: -19.523
flat angles C4'-P-C4' energy: -24.284
flat angles P-C4'-P energy: -17.247
tors. eta vs tors. theta energy: -33.730
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: 279
Temperature: 1.000000
Total energy: -283.198799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.198799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.445050 (E_RNA)
where:
Base-Base interactions energy: -179.736
where: short stacking energy: -106.687
Base-Backbone interact. energy: -0.053
local terms energy: -103.655269
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -16.503
flat angles C4'-P-C4' energy: -22.446
flat angles P-C4'-P energy: -18.403
tors. eta vs tors. theta energy: -30.144
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: 4, replica: 9
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -232.178832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.178832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.211410 (E_RNA)
where:
Base-Base interactions energy: -151.365
where: short stacking energy: -79.076
Base-Backbone interact. energy: -0.620
local terms energy: -80.225882
where:
bonds (distance) C4'-P energy: -14.680
bonds (distance) P-C4' energy: -20.385
flat angles C4'-P-C4' energy: -20.853
flat angles P-C4'-P energy: -13.106
tors. eta vs tors. theta energy: -11.202
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: 5, replica: 10
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -259.315993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.315993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.432776 (E_RNA)
where:
Base-Base interactions energy: -164.473
where: short stacking energy: -95.673
Base-Backbone interact. energy: -0.042
local terms energy: -94.917808
where:
bonds (distance) C4'-P energy: -20.229
bonds (distance) P-C4' energy: -20.595
flat angles C4'-P-C4' energy: -20.107
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: -24.710
Dist. restrs. and SS energy: 0.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -222.824236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.824236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.912844 (E_RNA)
where:
Base-Base interactions energy: -121.895
where: short stacking energy: -65.566
Base-Backbone interact. energy: -0.095
local terms energy: -100.923125
where:
bonds (distance) C4'-P energy: -21.488
bonds (distance) P-C4' energy: -22.679
flat angles C4'-P-C4' energy: -23.428
flat angles P-C4'-P energy: -17.020
tors. eta vs tors. theta energy: -16.309
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: 7
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -229.258312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.258312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.000948 (E_RNA)
where:
Base-Base interactions energy: -136.718
where: short stacking energy: -70.833
Base-Backbone interact. energy: -0.180
local terms energy: -94.103365
where:
bonds (distance) C4'-P energy: -23.755
bonds (distance) P-C4' energy: -20.097
flat angles C4'-P-C4' energy: -18.837
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -19.514
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: 8, replica: 8
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -213.729837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.729837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.773939 (E_RNA)
where:
Base-Base interactions energy: -135.048
where: short stacking energy: -65.952
Base-Backbone interact. energy: -0.060
local terms energy: -78.665259
where:
bonds (distance) C4'-P energy: -17.089
bonds (distance) P-C4' energy: -23.230
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -12.498
tors. eta vs tors. theta energy: -10.357
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: 6
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -205.278274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.278274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.687160 (E_RNA)
where:
Base-Base interactions energy: -123.103
where: short stacking energy: -69.158
Base-Backbone interact. energy: -0.253
local terms energy: -82.331579
where:
bonds (distance) C4'-P energy: -18.605
bonds (distance) P-C4' energy: -21.361
flat angles C4'-P-C4' energy: -20.765
flat angles P-C4'-P energy: -6.304
tors. eta vs tors. theta energy: -15.296
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: 10, replica: 5
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -180.372638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.372638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.389020 (E_RNA)
where:
Base-Base interactions energy: -109.184
where: short stacking energy: -51.337
Base-Backbone interact. energy: -0.462
local terms energy: -70.742819
where:
bonds (distance) C4'-P energy: -19.027
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -18.235
flat angles P-C4'-P energy: -7.008
tors. eta vs tors. theta energy: -9.932
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: 1
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -316.052040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.052040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.205866 (E_RNA)
where:
Base-Base interactions energy: -199.892
where: short stacking energy: -124.059
Base-Backbone interact. energy: 1.844
local terms energy: -118.157962
where:
bonds (distance) C4'-P energy: -20.437
bonds (distance) P-C4' energy: -24.191
flat angles C4'-P-C4' energy: -22.549
flat angles P-C4'-P energy: -17.252
tors. eta vs tors. theta energy: -33.729
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: 3
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -280.647476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.647476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.859770 (E_RNA)
where:
Base-Base interactions energy: -176.915
where: short stacking energy: -99.467
Base-Backbone interact. energy: -0.106
local terms energy: -103.838136
where:
bonds (distance) C4'-P energy: -19.475
bonds (distance) P-C4' energy: -20.072
flat angles C4'-P-C4' energy: -24.899
flat angles P-C4'-P energy: -14.647
tors. eta vs tors. theta energy: -24.745
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: 3, replica: 4
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -278.538450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.538450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.893816 (E_RNA)
where:
Base-Base interactions energy: -180.751
where: short stacking energy: -87.250
Base-Backbone interact. energy: 0.398
local terms energy: -98.541079
where:
bonds (distance) C4'-P energy: -23.733
bonds (distance) P-C4' energy: -20.245
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -15.047
tors. eta vs tors. theta energy: -24.483
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: 4, replica: 9
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -260.480155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.480155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.132977 (E_RNA)
where:
Base-Base interactions energy: -155.047
where: short stacking energy: -82.000
Base-Backbone interact. energy: -0.055
local terms energy: -107.031094
where:
bonds (distance) C4'-P energy: -21.966
bonds (distance) P-C4' energy: -25.653
flat angles C4'-P-C4' energy: -23.329
flat angles P-C4'-P energy: -13.127
tors. eta vs tors. theta energy: -22.956
Dist. restrs. and SS energy: 1.653 (S_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: 280
Temperature: 1.100000
Total energy: -236.742457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.742457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.851236 (E_RNA)
where:
Base-Base interactions energy: -151.670
where: short stacking energy: -81.819
Base-Backbone interact. energy: -0.302
local terms energy: -84.879164
where:
bonds (distance) C4'-P energy: -14.491
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -20.947
flat angles P-C4'-P energy: -18.010
tors. eta vs tors. theta energy: -12.297
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: 10
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -228.323842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.323842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.688627 (E_RNA)
where:
Base-Base interactions energy: -136.500
where: short stacking energy: -65.585
Base-Backbone interact. energy: -0.043
local terms energy: -92.145013
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -23.864
flat angles C4'-P-C4' energy: -23.656
flat angles P-C4'-P energy: -13.537
tors. eta vs tors. theta energy: -16.340
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: 7, replica: 8
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -212.355442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.355442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.593901 (E_RNA)
where:
Base-Base interactions energy: -125.255
where: short stacking energy: -66.143
Base-Backbone interact. energy: -0.322
local terms energy: -87.017502
where:
bonds (distance) C4'-P energy: -20.761
bonds (distance) P-C4' energy: -18.956
flat angles C4'-P-C4' energy: -22.363
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -13.392
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: 8, replica: 7
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -208.465183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.465183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.470089 (E_RNA)
where:
Base-Base interactions energy: -125.562
where: short stacking energy: -62.496
Base-Backbone interact. energy: -0.555
local terms energy: -82.353699
where:
bonds (distance) C4'-P energy: -23.300
bonds (distance) P-C4' energy: -25.188
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -10.575
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: 280
Temperature: 1.300000
Total energy: -214.410503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.410503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.533116 (E_RNA)
where:
Base-Base interactions energy: -126.862
where: short stacking energy: -66.357
Base-Backbone interact. energy: -0.115
local terms energy: -87.555686
where:
bonds (distance) C4'-P energy: -22.336
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -20.397
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -16.987
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: 6
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -214.329908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.329908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.356516 (E_RNA)
where:
Base-Base interactions energy: -133.547
where: short stacking energy: -64.270
Base-Backbone interact. energy: -0.168
local terms energy: -80.640700
where:
bonds (distance) C4'-P energy: -6.708
bonds (distance) P-C4' energy: -25.388
flat angles C4'-P-C4' energy: -22.276
flat angles P-C4'-P energy: -11.243
tors. eta vs tors. theta energy: -15.026
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: 281
Temperature: 0.900000
Total energy: -321.354497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.354497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.202107 (E_RNA)
where:
Base-Base interactions energy: -208.300
where: short stacking energy: -125.239
Base-Backbone interact. energy: -0.022
local terms energy: -114.880362
where:
bonds (distance) C4'-P energy: -21.586
bonds (distance) P-C4' energy: -16.239
flat angles C4'-P-C4' energy: -23.275
flat angles P-C4'-P energy: -17.618
tors. eta vs tors. theta energy: -36.162
Dist. restrs. and SS energy: 1.848 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -298.848336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.848336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.931938 (E_RNA)
where:
Base-Base interactions energy: -178.272
where: short stacking energy: -108.437
Base-Backbone interact. energy: -0.293
local terms energy: -120.366337
where:
bonds (distance) C4'-P energy: -23.408
bonds (distance) P-C4' energy: -23.299
flat angles C4'-P-C4' energy: -23.712
flat angles P-C4'-P energy: -17.936
tors. eta vs tors. theta energy: -32.011
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: 3
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -270.631657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.631657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.945154 (E_RNA)
where:
Base-Base interactions energy: -171.166
where: short stacking energy: -84.950
Base-Backbone interact. energy: 0.163
local terms energy: -100.942265
where:
bonds (distance) C4'-P energy: -20.401
bonds (distance) P-C4' energy: -19.852
flat angles C4'-P-C4' energy: -24.939
flat angles P-C4'-P energy: -16.602
tors. eta vs tors. theta energy: -19.148
Dist. restrs. and SS energy: 1.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -265.209979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.209979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.660960 (E_RNA)
where:
Base-Base interactions energy: -164.319
where: short stacking energy: -91.573
Base-Backbone interact. energy: 0.307
local terms energy: -101.648588
where:
bonds (distance) C4'-P energy: -18.440
bonds (distance) P-C4' energy: -22.103
flat angles C4'-P-C4' energy: -20.907
flat angles P-C4'-P energy: -16.120
tors. eta vs tors. theta energy: -24.079
Dist. restrs. and SS energy: 0.451 (S_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: 281
Temperature: 1.100000
Total energy: -239.536533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.536533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.594604 (E_RNA)
where:
Base-Base interactions energy: -145.610
where: short stacking energy: -79.335
Base-Backbone interact. energy: -0.130
local terms energy: -93.854377
where:
bonds (distance) C4'-P energy: -25.253
bonds (distance) P-C4' energy: -19.268
flat angles C4'-P-C4' energy: -19.194
flat angles P-C4'-P energy: -14.742
tors. eta vs tors. theta energy: -15.397
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: 281
Temperature: 1.150000
Total energy: -240.431639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.431639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.110296 (E_RNA)
where:
Base-Base interactions energy: -153.176
where: short stacking energy: -76.650
Base-Backbone interact. energy: -0.390
local terms energy: -88.544173
where:
bonds (distance) C4'-P energy: -20.422
bonds (distance) P-C4' energy: -21.321
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -19.589
Dist. restrs. and SS energy: 1.679 (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: 8
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -217.149689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.149689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.218393 (E_RNA)
where:
Base-Base interactions energy: -134.228
where: short stacking energy: -60.336
Base-Backbone interact. energy: -0.224
local terms energy: -82.766774
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -18.986
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -16.554
tors. eta vs tors. theta energy: -16.700
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: 8, replica: 5
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -215.309433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.309433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.333461 (E_RNA)
where:
Base-Base interactions energy: -132.079
where: short stacking energy: -64.950
Base-Backbone interact. energy: -0.146
local terms energy: -83.108367
where:
bonds (distance) C4'-P energy: -17.839
bonds (distance) P-C4' energy: -18.713
flat angles C4'-P-C4' energy: -18.985
flat angles P-C4'-P energy: -14.340
tors. eta vs tors. theta energy: -13.231
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: 7
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -219.087103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.087103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.894290 (E_RNA)
where:
Base-Base interactions energy: -139.728
where: short stacking energy: -69.050
Base-Backbone interact. energy: -0.823
local terms energy: -80.342697
where:
bonds (distance) C4'-P energy: -8.434
bonds (distance) P-C4' energy: -21.293
flat angles C4'-P-C4' energy: -17.730
flat angles P-C4'-P energy: -16.366
tors. eta vs tors. theta energy: -16.521
Dist. restrs. and SS energy: 1.807 (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: 6
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -201.483244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.483244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.723507 (E_RNA)
where:
Base-Base interactions energy: -120.942
where: short stacking energy: -59.907
Base-Backbone interact. energy: 0.955
local terms energy: -81.736750
where:
bonds (distance) C4'-P energy: -13.807
bonds (distance) P-C4' energy: -23.699
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -15.496
tors. eta vs tors. theta energy: -11.920
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: 1, replica: 4
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -290.121127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.121127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.309999 (E_RNA)
where:
Base-Base interactions energy: -179.932
where: short stacking energy: -108.365
Base-Backbone interact. energy: -0.016
local terms energy: -110.361952
where:
bonds (distance) C4'-P energy: -23.277
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -21.770
flat angles P-C4'-P energy: -18.449
tors. eta vs tors. theta energy: -29.775
Dist. restrs. and SS energy: 0.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -314.936817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.936817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.218354 (E_RNA)
where:
Base-Base interactions energy: -191.539
where: short stacking energy: -110.860
Base-Backbone interact. energy: -0.187
local terms energy: -124.493066
where:
bonds (distance) C4'-P energy: -25.303
bonds (distance) P-C4' energy: -21.539
flat angles C4'-P-C4' energy: -22.982
flat angles P-C4'-P energy: -19.157
tors. eta vs tors. theta energy: -35.513
Dist. restrs. and SS energy: 1.282 (S_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: 282
Temperature: 1.000000
Total energy: -273.391884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.391884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.538289 (E_RNA)
where:
Base-Base interactions energy: -166.317
where: short stacking energy: -101.328
Base-Backbone interact. energy: -0.150
local terms energy: -107.071238
where:
bonds (distance) C4'-P energy: -20.480
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -26.197
flat angles P-C4'-P energy: -18.036
tors. eta vs tors. theta energy: -25.445
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: 3
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -264.840828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.840828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.181799 (E_RNA)
where:
Base-Base interactions energy: -173.223
where: short stacking energy: -79.638
Base-Backbone interact. energy: -0.235
local terms energy: -91.723807
where:
bonds (distance) C4'-P energy: -17.729
bonds (distance) P-C4' energy: -16.055
flat angles C4'-P-C4' energy: -20.946
flat angles P-C4'-P energy: -14.636
tors. eta vs tors. theta energy: -22.359
Dist. restrs. and SS energy: 0.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -274.110184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.110184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.211250 (E_RNA)
where:
Base-Base interactions energy: -173.915
where: short stacking energy: -86.331
Base-Backbone interact. energy: -0.124
local terms energy: -100.172005
where:
bonds (distance) C4'-P energy: -21.447
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -22.092
flat angles P-C4'-P energy: -14.886
tors. eta vs tors. theta energy: -24.483
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: 2
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -243.260860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.260860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.322160 (E_RNA)
where:
Base-Base interactions energy: -144.423
where: short stacking energy: -76.660
Base-Backbone interact. energy: -0.255
local terms energy: -98.644675
where:
bonds (distance) C4'-P energy: -21.561
bonds (distance) P-C4' energy: -21.548
flat angles C4'-P-C4' energy: -22.687
flat angles P-C4'-P energy: -17.096
tors. eta vs tors. theta energy: -15.752
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: 5
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -223.993826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.993826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.237307 (E_RNA)
where:
Base-Base interactions energy: -136.901
where: short stacking energy: -75.400
Base-Backbone interact. energy: -0.435
local terms energy: -86.901064
where:
bonds (distance) C4'-P energy: -17.184
bonds (distance) P-C4' energy: -14.710
flat angles C4'-P-C4' energy: -23.054
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -20.006
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: 8
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -221.296255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.296255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.524127 (E_RNA)
where:
Base-Base interactions energy: -128.131
where: short stacking energy: -71.532
Base-Backbone interact. energy: -0.096
local terms energy: -93.297443
where:
bonds (distance) C4'-P energy: -18.695
bonds (distance) P-C4' energy: -22.644
flat angles C4'-P-C4' energy: -21.065
flat angles P-C4'-P energy: -13.869
tors. eta vs tors. theta energy: -17.024
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: 6
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -208.202222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.202222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.522946 (E_RNA)
where:
Base-Base interactions energy: -128.345
where: short stacking energy: -63.114
Base-Backbone interact. energy: -0.723
local terms energy: -81.455012
where:
bonds (distance) C4'-P energy: -19.625
bonds (distance) P-C4' energy: -17.966
flat angles C4'-P-C4' energy: -18.758
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -13.436
Dist. restrs. and SS energy: 2.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -214.538040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.538040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.855280 (E_RNA)
where:
Base-Base interactions energy: -127.976
where: short stacking energy: -62.980
Base-Backbone interact. energy: -0.356
local terms energy: -86.523392
where:
bonds (distance) C4'-P energy: -19.197
bonds (distance) P-C4' energy: -18.338
flat angles C4'-P-C4' energy: -17.619
flat angles P-C4'-P energy: -14.036
tors. eta vs tors. theta energy: -17.335
Dist. restrs. and SS energy: 0.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -281.501187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.501187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.505828 (E_RNA)
where:
Base-Base interactions energy: -172.682
where: short stacking energy: -100.172
Base-Backbone interact. energy: -0.175
local terms energy: -108.649039
where:
bonds (distance) C4'-P energy: -19.845
bonds (distance) P-C4' energy: -23.974
flat angles C4'-P-C4' energy: -21.292
flat angles P-C4'-P energy: -15.794
tors. eta vs tors. theta energy: -27.743
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: 283
Temperature: 0.950000
Total energy: -274.112851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.112851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.263229 (E_RNA)
where:
Base-Base interactions energy: -162.260
where: short stacking energy: -94.044
Base-Backbone interact. energy: -0.000
local terms energy: -112.002980
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -24.874
flat angles C4'-P-C4' energy: -25.021
flat angles P-C4'-P energy: -17.257
tors. eta vs tors. theta energy: -28.634
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: 3, replica: 1
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -310.860261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.860261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.484950 (E_RNA)
where:
Base-Base interactions energy: -186.643
where: short stacking energy: -112.559
Base-Backbone interact. energy: -2.683
local terms energy: -123.158281
where:
bonds (distance) C4'-P energy: -21.006
bonds (distance) P-C4' energy: -23.501
flat angles C4'-P-C4' energy: -24.002
flat angles P-C4'-P energy: -17.869
tors. eta vs tors. theta energy: -36.780
Dist. restrs. and SS energy: 1.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -268.052701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.052701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.115573 (E_RNA)
where:
Base-Base interactions energy: -162.164
where: short stacking energy: -89.844
Base-Backbone interact. energy: 0.629
local terms energy: -106.580396
where:
bonds (distance) C4'-P energy: -24.580
bonds (distance) P-C4' energy: -18.313
flat angles C4'-P-C4' energy: -23.731
flat angles P-C4'-P energy: -13.259
tors. eta vs tors. theta energy: -26.696
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: 10
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -255.898827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.898827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.950747 (E_RNA)
where:
Base-Base interactions energy: -153.887
where: short stacking energy: -84.172
Base-Backbone interact. energy: -0.487
local terms energy: -101.576974
where:
bonds (distance) C4'-P energy: -19.981
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -19.939
flat angles P-C4'-P energy: -19.643
tors. eta vs tors. theta energy: -24.038
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: 2
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -246.416117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.416117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.193512 (E_RNA)
where:
Base-Base interactions energy: -150.402
where: short stacking energy: -78.136
Base-Backbone interact. energy: -0.002
local terms energy: -97.789993
where:
bonds (distance) C4'-P energy: -18.403
bonds (distance) P-C4' energy: -23.058
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -13.180
tors. eta vs tors. theta energy: -25.939
Dist. restrs. and SS energy: 1.777 (S_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: 283
Temperature: 1.200000
Total energy: -204.964915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.964915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.060070 (E_RNA)
where:
Base-Base interactions energy: -124.599
where: short stacking energy: -59.209
Base-Backbone interact. energy: -0.702
local terms energy: -79.758926
where:
bonds (distance) C4'-P energy: -24.436
bonds (distance) P-C4' energy: -19.411
flat angles C4'-P-C4' energy: -18.997
flat angles P-C4'-P energy: -4.560
tors. eta vs tors. theta energy: -12.355
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: 283
Temperature: 1.250000
Total energy: -215.286436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.286436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.460495 (E_RNA)
where:
Base-Base interactions energy: -132.754
where: short stacking energy: -68.621
Base-Backbone interact. energy: -0.045
local terms energy: -82.661696
where:
bonds (distance) C4'-P energy: -19.024
bonds (distance) P-C4' energy: -19.948
flat angles C4'-P-C4' energy: -23.209
flat angles P-C4'-P energy: -5.965
tors. eta vs tors. theta energy: -14.516
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -212.991715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.991715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.101684 (E_RNA)
where:
Base-Base interactions energy: -124.780
where: short stacking energy: -61.633
Base-Backbone interact. energy: -0.356
local terms energy: -87.966437
where:
bonds (distance) C4'-P energy: -18.667
bonds (distance) P-C4' energy: -24.592
flat angles C4'-P-C4' energy: -19.908
flat angles P-C4'-P energy: -14.980
tors. eta vs tors. theta energy: -9.819
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: 10, replica: 7
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -198.742406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.742406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.799260 (E_RNA)
where:
Base-Base interactions energy: -117.217
where: short stacking energy: -50.504
Base-Backbone interact. energy: -0.133
local terms energy: -81.449962
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -21.122
flat angles C4'-P-C4' energy: -20.843
flat angles P-C4'-P energy: -18.131
tors. eta vs tors. theta energy: -5.210
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: 4
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -292.957576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.957576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.005520 (E_RNA)
where:
Base-Base interactions energy: -178.168
where: short stacking energy: -107.621
Base-Backbone interact. energy: -1.013
local terms energy: -113.825385
where:
bonds (distance) C4'-P energy: -24.533
bonds (distance) P-C4' energy: -22.288
flat angles C4'-P-C4' energy: -21.503
flat angles P-C4'-P energy: -16.691
tors. eta vs tors. theta energy: -28.811
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -271.253889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.253889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.290426 (E_RNA)
where:
Base-Base interactions energy: -159.772
where: short stacking energy: -92.658
Base-Backbone interact. energy: -0.009
local terms energy: -111.508557
where:
bonds (distance) C4'-P energy: -20.318
bonds (distance) P-C4' energy: -21.957
flat angles C4'-P-C4' energy: -25.273
flat angles P-C4'-P energy: -21.023
tors. eta vs tors. theta energy: -22.937
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: 1
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -271.168235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.168235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.302496 (E_RNA)
where:
Base-Base interactions energy: -161.735
where: short stacking energy: -92.412
Base-Backbone interact. energy: -0.827
local terms energy: -108.740178
where:
bonds (distance) C4'-P energy: -18.786
bonds (distance) P-C4' energy: -24.836
flat angles C4'-P-C4' energy: -24.446
flat angles P-C4'-P energy: -16.007
tors. eta vs tors. theta energy: -24.666
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -265.517988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.517988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.861258 (E_RNA)
where:
Base-Base interactions energy: -165.355
where: short stacking energy: -89.199
Base-Backbone interact. energy: -0.168
local terms energy: -100.337743
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -19.798
flat angles C4'-P-C4' energy: -24.846
flat angles P-C4'-P energy: -16.880
tors. eta vs tors. theta energy: -22.070
Dist. restrs. and SS energy: 0.343 (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: 2
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -254.595403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.595403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.776729 (E_RNA)
where:
Base-Base interactions energy: -167.007
where: short stacking energy: -76.250
Base-Backbone interact. energy: -0.075
local terms energy: -87.695615
where:
bonds (distance) C4'-P energy: -18.419
bonds (distance) P-C4' energy: -13.977
flat angles C4'-P-C4' energy: -22.213
flat angles P-C4'-P energy: -15.328
tors. eta vs tors. theta energy: -17.758
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: 10
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -239.465863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.465863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.558500 (E_RNA)
where:
Base-Base interactions energy: -148.888
where: short stacking energy: -81.816
Base-Backbone interact. energy: -0.269
local terms energy: -90.400773
where:
bonds (distance) C4'-P energy: -20.668
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -21.560
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -20.896
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: 284
Temperature: 1.200000
Total energy: -230.887069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.887069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.929766 (E_RNA)
where:
Base-Base interactions energy: -146.237
where: short stacking energy: -64.633
Base-Backbone interact. energy: -0.290
local terms energy: -84.402603
where:
bonds (distance) C4'-P energy: -21.438
bonds (distance) P-C4' energy: -19.633
flat angles C4'-P-C4' energy: -19.737
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -12.848
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: 8
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -221.314980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.314980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.447799 (E_RNA)
where:
Base-Base interactions energy: -127.443
where: short stacking energy: -62.006
Base-Backbone interact. energy: 1.537
local terms energy: -96.541536
where:
bonds (distance) C4'-P energy: -21.574
bonds (distance) P-C4' energy: -21.017
flat angles C4'-P-C4' energy: -24.958
flat angles P-C4'-P energy: -12.725
tors. eta vs tors. theta energy: -16.268
Dist. restrs. and SS energy: 1.133 (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: 7
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -214.429280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.429280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.555877 (E_RNA)
where:
Base-Base interactions energy: -125.547
where: short stacking energy: -68.416
Base-Backbone interact. energy: -0.185
local terms energy: -88.824081
where:
bonds (distance) C4'-P energy: -21.963
bonds (distance) P-C4' energy: -18.724
flat angles C4'-P-C4' energy: -23.021
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -12.971
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: 284
Temperature: 1.350000
Total energy: -204.403986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.403986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.561211 (E_RNA)
where:
Base-Base interactions energy: -119.239
where: short stacking energy: -62.563
Base-Backbone interact. energy: 0.039
local terms energy: -85.361153
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -21.686
flat angles C4'-P-C4' energy: -19.279
flat angles P-C4'-P energy: -13.324
tors. eta vs tors. theta energy: -15.404
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: 4
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -289.181747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.181747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.217454 (E_RNA)
where:
Base-Base interactions energy: -176.799
where: short stacking energy: -104.267
Base-Backbone interact. energy: -2.570
local terms energy: -109.848076
where:
bonds (distance) C4'-P energy: -21.967
bonds (distance) P-C4' energy: -19.518
flat angles C4'-P-C4' energy: -22.958
flat angles P-C4'-P energy: -14.053
tors. eta vs tors. theta energy: -31.352
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: 1
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -293.905141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.905141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.958693 (E_RNA)
where:
Base-Base interactions energy: -176.394
where: short stacking energy: -101.772
Base-Backbone interact. energy: -0.001
local terms energy: -117.564294
where:
bonds (distance) C4'-P energy: -18.485
bonds (distance) P-C4' energy: -24.328
flat angles C4'-P-C4' energy: -23.262
flat angles P-C4'-P energy: -17.950
tors. eta vs tors. theta energy: -33.539
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: 9
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -272.450959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.450959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.624041 (E_RNA)
where:
Base-Base interactions energy: -162.623
where: short stacking energy: -98.113
Base-Backbone interact. energy: -0.067
local terms energy: -109.933864
where:
bonds (distance) C4'-P energy: -18.716
bonds (distance) P-C4' energy: -25.904
flat angles C4'-P-C4' energy: -21.956
flat angles P-C4'-P energy: -16.293
tors. eta vs tors. theta energy: -27.066
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: 3
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -276.729226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.729226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.663778 (E_RNA)
where:
Base-Base interactions energy: -171.081
where: short stacking energy: -98.027
Base-Backbone interact. energy: -0.239
local terms energy: -106.343617
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -25.946
flat angles C4'-P-C4' energy: -21.762
flat angles P-C4'-P energy: -14.703
tors. eta vs tors. theta energy: -30.381
Dist. restrs. and SS energy: 0.935 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -246.343275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.343275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.642636 (E_RNA)
where:
Base-Base interactions energy: -149.513
where: short stacking energy: -84.147
Base-Backbone interact. energy: -0.067
local terms energy: -97.062611
where:
bonds (distance) C4'-P energy: -20.961
bonds (distance) P-C4' energy: -19.801
flat angles C4'-P-C4' energy: -25.365
flat angles P-C4'-P energy: -11.915
tors. eta vs tors. theta energy: -19.021
Dist. restrs. and SS energy: 0.299 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -256.021144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.021144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.254386 (E_RNA)
where:
Base-Base interactions energy: -152.010
where: short stacking energy: -85.091
Base-Backbone interact. energy: -0.008
local terms energy: -104.236859
where:
bonds (distance) C4'-P energy: -17.567
bonds (distance) P-C4' energy: -24.387
flat angles C4'-P-C4' energy: -17.683
flat angles P-C4'-P energy: -15.597
tors. eta vs tors. theta energy: -29.003
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: 7, replica: 10
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -240.116601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.116601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.116147 (E_RNA)
where:
Base-Base interactions energy: -148.098
where: short stacking energy: -71.945
Base-Backbone interact. energy: -0.173
local terms energy: -92.844720
where:
bonds (distance) C4'-P energy: -19.826
bonds (distance) P-C4' energy: -16.546
flat angles C4'-P-C4' energy: -21.061
flat angles P-C4'-P energy: -12.969
tors. eta vs tors. theta energy: -22.443
Dist. restrs. and SS energy: 1.000 (S_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: 285
Temperature: 1.250000
Total energy: -229.736778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.736778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.564882 (E_RNA)
where:
Base-Base interactions energy: -148.182
where: short stacking energy: -71.804
Base-Backbone interact. energy: -0.090
local terms energy: -83.292655
where:
bonds (distance) C4'-P energy: -23.739
bonds (distance) P-C4' energy: -17.801
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -14.298
tors. eta vs tors. theta energy: -13.510
Dist. restrs. and SS energy: 1.828 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -199.685981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.685981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.899423 (E_RNA)
where:
Base-Base interactions energy: -126.442
where: short stacking energy: -57.321
Base-Backbone interact. energy: 1.073
local terms energy: -74.530606
where:
bonds (distance) C4'-P energy: -21.378
bonds (distance) P-C4' energy: -17.459
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -7.455
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: 10, replica: 6
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -191.140742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.140742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.140742 (E_RNA)
where:
Base-Base interactions energy: -105.456
where: short stacking energy: -51.269
Base-Backbone interact. energy: -0.150
local terms energy: -85.534303
where:
bonds (distance) C4'-P energy: -24.156
bonds (distance) P-C4' energy: -22.893
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -17.477
tors. eta vs tors. theta energy: -7.866
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -282.933349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.933349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.933349 (E_RNA)
where:
Base-Base interactions energy: -165.367
where: short stacking energy: -98.578
Base-Backbone interact. energy: -0.035
local terms energy: -117.531619
where:
bonds (distance) C4'-P energy: -21.864
bonds (distance) P-C4' energy: -26.160
flat angles C4'-P-C4' energy: -26.212
flat angles P-C4'-P energy: -18.150
tors. eta vs tors. theta energy: -25.146
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: 4
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -283.314741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.314741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.334359 (E_RNA)
where:
Base-Base interactions energy: -177.314
where: short stacking energy: -99.647
Base-Backbone interact. energy: -2.264
local terms energy: -103.756580
where:
bonds (distance) C4'-P energy: -17.595
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -21.871
flat angles P-C4'-P energy: -18.908
tors. eta vs tors. theta energy: -28.861
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -267.766978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.766978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.794927 (E_RNA)
where:
Base-Base interactions energy: -160.606
where: short stacking energy: -87.764
Base-Backbone interact. energy: -0.194
local terms energy: -106.994436
where:
bonds (distance) C4'-P energy: -23.527
bonds (distance) P-C4' energy: -23.267
flat angles C4'-P-C4' energy: -25.408
flat angles P-C4'-P energy: -14.600
tors. eta vs tors. theta energy: -20.192
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: 9
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -255.322006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.322006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.373087 (E_RNA)
where:
Base-Base interactions energy: -152.484
where: short stacking energy: -92.160
Base-Backbone interact. energy: -0.203
local terms energy: -102.686821
where:
bonds (distance) C4'-P energy: -24.378
bonds (distance) P-C4' energy: -20.325
flat angles C4'-P-C4' energy: -22.448
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: -22.530
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: 5
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -264.513727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.513727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.848908 (E_RNA)
where:
Base-Base interactions energy: -157.490
where: short stacking energy: -93.959
Base-Backbone interact. energy: -1.775
local terms energy: -105.583253
where:
bonds (distance) C4'-P energy: -24.809
bonds (distance) P-C4' energy: -22.511
flat angles C4'-P-C4' energy: -22.298
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: -27.153
Dist. restrs. and SS energy: 0.335 (S_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: 286
Temperature: 1.150000
Total energy: -232.876689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.876689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.982780 (E_RNA)
where:
Base-Base interactions energy: -139.742
where: short stacking energy: -73.909
Base-Backbone interact. energy: -0.278
local terms energy: -92.962580
where:
bonds (distance) C4'-P energy: -20.507
bonds (distance) P-C4' energy: -26.239
flat angles C4'-P-C4' energy: -21.938
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -13.894
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: 286
Temperature: 1.200000
Total energy: -243.483613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.483613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.528799 (E_RNA)
where:
Base-Base interactions energy: -149.867
where: short stacking energy: -84.015
Base-Backbone interact. energy: -0.012
local terms energy: -93.649368
where:
bonds (distance) C4'-P energy: -18.673
bonds (distance) P-C4' energy: -20.884
flat angles C4'-P-C4' energy: -19.088
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -23.195
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: 7
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -215.814030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.814030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.886219 (E_RNA)
where:
Base-Base interactions energy: -133.629
where: short stacking energy: -62.189
Base-Backbone interact. energy: -0.112
local terms energy: -82.145197
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -22.720
flat angles C4'-P-C4' energy: -18.718
flat angles P-C4'-P energy: -7.984
tors. eta vs tors. theta energy: -15.859
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: 6
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -212.794525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.794525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.849271 (E_RNA)
where:
Base-Base interactions energy: -119.103
where: short stacking energy: -61.486
Base-Backbone interact. energy: -0.239
local terms energy: -93.506634
where:
bonds (distance) C4'-P energy: -21.181
bonds (distance) P-C4' energy: -22.286
flat angles C4'-P-C4' energy: -24.678
flat angles P-C4'-P energy: -17.081
tors. eta vs tors. theta energy: -8.281
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -191.163475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.163475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.227993 (E_RNA)
where:
Base-Base interactions energy: -100.257
where: short stacking energy: -46.261
Base-Backbone interact. energy: -0.427
local terms energy: -90.543691
where:
bonds (distance) C4'-P energy: -23.466
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -19.560
flat angles P-C4'-P energy: -18.207
tors. eta vs tors. theta energy: -12.016
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: 1, replica: 1
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -281.661602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.661602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.775329 (E_RNA)
where:
Base-Base interactions energy: -166.532
where: short stacking energy: -91.680
Base-Backbone interact. energy: -0.121
local terms energy: -115.122801
where:
bonds (distance) C4'-P energy: -22.775
bonds (distance) P-C4' energy: -24.902
flat angles C4'-P-C4' energy: -24.862
flat angles P-C4'-P energy: -18.213
tors. eta vs tors. theta energy: -24.371
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: 2, replica: 4
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -279.420487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.420487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.798341 (E_RNA)
where:
Base-Base interactions energy: -173.231
where: short stacking energy: -94.613
Base-Backbone interact. energy: -0.244
local terms energy: -106.323794
where:
bonds (distance) C4'-P energy: -21.561
bonds (distance) P-C4' energy: -23.325
flat angles C4'-P-C4' energy: -20.270
flat angles P-C4'-P energy: -18.010
tors. eta vs tors. theta energy: -23.158
Dist. restrs. and SS energy: 0.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -255.813337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.813337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.384787 (E_RNA)
where:
Base-Base interactions energy: -159.641
where: short stacking energy: -80.675
Base-Backbone interact. energy: -0.402
local terms energy: -97.341818
where:
bonds (distance) C4'-P energy: -19.836
bonds (distance) P-C4' energy: -23.375
flat angles C4'-P-C4' energy: -23.660
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -19.332
Dist. restrs. and SS energy: 1.571 (S_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: 287
Temperature: 1.050000
Total energy: -247.024564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.024564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.024564 (E_RNA)
where:
Base-Base interactions energy: -150.343
where: short stacking energy: -76.205
Base-Backbone interact. energy: -0.425
local terms energy: -96.256468
where:
bonds (distance) C4'-P energy: -20.081
bonds (distance) P-C4' energy: -19.570
flat angles C4'-P-C4' energy: -23.382
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -22.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -250.575799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.575799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.792691 (E_RNA)
where:
Base-Base interactions energy: -146.423
where: short stacking energy: -86.244
Base-Backbone interact. energy: -0.030
local terms energy: -104.339577
where:
bonds (distance) C4'-P energy: -16.700
bonds (distance) P-C4' energy: -22.457
flat angles C4'-P-C4' energy: -20.575
flat angles P-C4'-P energy: -18.215
tors. eta vs tors. theta energy: -26.393
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: 10
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -234.992505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.992505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.255783 (E_RNA)
where:
Base-Base interactions energy: -141.492
where: short stacking energy: -78.370
Base-Backbone interact. energy: -0.249
local terms energy: -93.514422
where:
bonds (distance) C4'-P energy: -17.354
bonds (distance) P-C4' energy: -22.938
flat angles C4'-P-C4' energy: -21.688
flat angles P-C4'-P energy: -13.238
tors. eta vs tors. theta energy: -18.296
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: 287
Temperature: 1.200000
Total energy: -214.426361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.426361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.849454 (E_RNA)
where:
Base-Base interactions energy: -141.375
where: short stacking energy: -66.087
Base-Backbone interact. energy: -0.454
local terms energy: -75.020893
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -20.212
flat angles C4'-P-C4' energy: -18.677
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -9.177
Dist. restrs. and SS energy: 2.423 (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: 6
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -207.994336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.994336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.050290 (E_RNA)
where:
Base-Base interactions energy: -121.202
where: short stacking energy: -56.985
Base-Backbone interact. energy: 0.222
local terms energy: -87.070199
where:
bonds (distance) C4'-P energy: -22.493
bonds (distance) P-C4' energy: -20.338
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -14.740
tors. eta vs tors. theta energy: -15.533
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: 7
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -216.654711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.654711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.669361 (E_RNA)
where:
Base-Base interactions energy: -126.752
where: short stacking energy: -63.858
Base-Backbone interact. energy: -0.338
local terms energy: -89.580112
where:
bonds (distance) C4'-P energy: -22.108
bonds (distance) P-C4' energy: -22.331
flat angles C4'-P-C4' energy: -17.351
flat angles P-C4'-P energy: -12.909
tors. eta vs tors. theta energy: -14.881
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: 287
Temperature: 1.350000
Total energy: -199.830779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.830779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.055026 (E_RNA)
where:
Base-Base interactions energy: -119.704
where: short stacking energy: -64.240
Base-Backbone interact. energy: -1.330
local terms energy: -79.021152
where:
bonds (distance) C4'-P energy: -19.494
bonds (distance) P-C4' energy: -14.739
flat angles C4'-P-C4' energy: -17.686
flat angles P-C4'-P energy: -12.969
tors. eta vs tors. theta energy: -14.133
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: 1, replica: 4
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -296.735091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.735091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.819014 (E_RNA)
where:
Base-Base interactions energy: -179.313
where: short stacking energy: -100.672
Base-Backbone interact. energy: -0.184
local terms energy: -117.321595
where:
bonds (distance) C4'-P energy: -20.473
bonds (distance) P-C4' energy: -23.141
flat angles C4'-P-C4' energy: -26.039
flat angles P-C4'-P energy: -17.924
tors. eta vs tors. theta energy: -29.745
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: 1
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -260.051200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.051200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.051200 (E_RNA)
where:
Base-Base interactions energy: -159.610
where: short stacking energy: -88.427
Base-Backbone interact. energy: -0.386
local terms energy: -100.055556
where:
bonds (distance) C4'-P energy: -18.087
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -24.299
flat angles P-C4'-P energy: -19.400
tors. eta vs tors. theta energy: -21.680
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -262.536135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.536135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.698411 (E_RNA)
where:
Base-Base interactions energy: -166.078
where: short stacking energy: -86.880
Base-Backbone interact. energy: -0.182
local terms energy: -96.438894
where:
bonds (distance) C4'-P energy: -18.577
bonds (distance) P-C4' energy: -24.287
flat angles C4'-P-C4' energy: -17.892
flat angles P-C4'-P energy: -13.782
tors. eta vs tors. theta energy: -21.901
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: 9
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -244.056859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.056859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.174613 (E_RNA)
where:
Base-Base interactions energy: -144.182
where: short stacking energy: -74.215
Base-Backbone interact. energy: -0.327
local terms energy: -99.666209
where:
bonds (distance) C4'-P energy: -22.572
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -22.010
flat angles P-C4'-P energy: -18.825
tors. eta vs tors. theta energy: -18.599
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: 5, replica: 10
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -244.145781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.145781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.319355 (E_RNA)
where:
Base-Base interactions energy: -144.740
where: short stacking energy: -72.924
Base-Backbone interact. energy: -0.604
local terms energy: -98.975160
where:
bonds (distance) C4'-P energy: -21.628
bonds (distance) P-C4' energy: -22.184
flat angles C4'-P-C4' energy: -22.993
flat angles P-C4'-P energy: -14.257
tors. eta vs tors. theta energy: -17.913
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -252.003124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.003124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.182495 (E_RNA)
where:
Base-Base interactions energy: -152.127
where: short stacking energy: -74.794
Base-Backbone interact. energy: -0.773
local terms energy: -99.282486
where:
bonds (distance) C4'-P energy: -21.345
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -21.451
flat angles P-C4'-P energy: -17.319
tors. eta vs tors. theta energy: -21.028
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: 6
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -219.082153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.082153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.205071 (E_RNA)
where:
Base-Base interactions energy: -140.964
where: short stacking energy: -74.099
Base-Backbone interact. energy: -0.286
local terms energy: -77.955284
where:
bonds (distance) C4'-P energy: -19.659
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -12.405
tors. eta vs tors. theta energy: -16.658
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: 2
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -217.844122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.844122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.902401 (E_RNA)
where:
Base-Base interactions energy: -143.024
where: short stacking energy: -76.588
Base-Backbone interact. energy: -0.237
local terms energy: -74.641582
where:
bonds (distance) C4'-P energy: -21.801
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -16.316
flat angles P-C4'-P energy: -5.601
tors. eta vs tors. theta energy: -15.816
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: 8
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -206.606527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.606527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.054104 (E_RNA)
where:
Base-Base interactions energy: -126.644
where: short stacking energy: -58.859
Base-Backbone interact. energy: -0.187
local terms energy: -80.222767
where:
bonds (distance) C4'-P energy: -19.628
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -18.885
flat angles P-C4'-P energy: -15.955
tors. eta vs tors. theta energy: -9.962
Dist. restrs. and SS energy: 0.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -209.416435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.416435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.433903 (E_RNA)
where:
Base-Base interactions energy: -130.310
where: short stacking energy: -68.188
Base-Backbone interact. energy: -0.449
local terms energy: -78.675486
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -20.315
flat angles C4'-P-C4' energy: -18.471
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: -15.683
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: 4
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -300.804687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.804687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.957484 (E_RNA)
where:
Base-Base interactions energy: -183.633
where: short stacking energy: -106.130
Base-Backbone interact. energy: -0.017
local terms energy: -117.307275
where:
bonds (distance) C4'-P energy: -25.708
bonds (distance) P-C4' energy: -20.451
flat angles C4'-P-C4' energy: -23.400
flat angles P-C4'-P energy: -18.608
tors. eta vs tors. theta energy: -29.141
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: 2, replica: 3
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -263.324855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.324855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.336783 (E_RNA)
where:
Base-Base interactions energy: -156.263
where: short stacking energy: -90.731
Base-Backbone interact. energy: -0.433
local terms energy: -106.640243
where:
bonds (distance) C4'-P energy: -23.441
bonds (distance) P-C4' energy: -22.326
flat angles C4'-P-C4' energy: -21.709
flat angles P-C4'-P energy: -13.876
tors. eta vs tors. theta energy: -25.288
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: 289
Temperature: 1.000000
Total energy: -266.321274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.321274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.387721 (E_RNA)
where:
Base-Base interactions energy: -165.659
where: short stacking energy: -90.232
Base-Backbone interact. energy: -0.436
local terms energy: -100.292551
where:
bonds (distance) C4'-P energy: -24.525
bonds (distance) P-C4' energy: -19.736
flat angles C4'-P-C4' energy: -21.085
flat angles P-C4'-P energy: -17.724
tors. eta vs tors. theta energy: -17.222
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -251.395939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.395939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.509423 (E_RNA)
where:
Base-Base interactions energy: -155.913
where: short stacking energy: -81.309
Base-Backbone interact. energy: -0.155
local terms energy: -95.441473
where:
bonds (distance) C4'-P energy: -21.540
bonds (distance) P-C4' energy: -22.032
flat angles C4'-P-C4' energy: -20.652
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -19.545
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -237.563298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.563298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.049720 (E_RNA)
where:
Base-Base interactions energy: -143.772
where: short stacking energy: -69.342
Base-Backbone interact. energy: -0.625
local terms energy: -93.653489
where:
bonds (distance) C4'-P energy: -24.521
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -22.981
flat angles P-C4'-P energy: -13.600
tors. eta vs tors. theta energy: -16.843
Dist. restrs. and SS energy: 0.486 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -232.183462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.183462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.194961 (E_RNA)
where:
Base-Base interactions energy: -143.004
where: short stacking energy: -75.982
Base-Backbone interact. energy: -0.199
local terms energy: -88.992048
where:
bonds (distance) C4'-P energy: -16.200
bonds (distance) P-C4' energy: -15.425
flat angles C4'-P-C4' energy: -27.216
flat angles P-C4'-P energy: -13.596
tors. eta vs tors. theta energy: -16.555
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -215.602343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.602343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.707087 (E_RNA)
where:
Base-Base interactions energy: -134.208
where: short stacking energy: -71.733
Base-Backbone interact. energy: -0.464
local terms energy: -81.035155
where:
bonds (distance) C4'-P energy: -10.514
bonds (distance) P-C4' energy: -19.857
flat angles C4'-P-C4' energy: -21.745
flat angles P-C4'-P energy: -14.485
tors. eta vs tors. theta energy: -14.435
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: 2
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -226.964492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.964492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.207667 (E_RNA)
where:
Base-Base interactions energy: -146.726
where: short stacking energy: -75.058
Base-Backbone interact. energy: -0.117
local terms energy: -81.364865
where:
bonds (distance) C4'-P energy: -15.053
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -13.149
tors. eta vs tors. theta energy: -19.210
Dist. restrs. and SS energy: 1.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -213.610969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.610969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.122790 (E_RNA)
where:
Base-Base interactions energy: -128.332
where: short stacking energy: -61.378
Base-Backbone interact. energy: -0.594
local terms energy: -85.196197
where:
bonds (distance) C4'-P energy: -21.226
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -17.758
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -16.023
Dist. restrs. and SS energy: 0.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -206.584623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.584623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.684932 (E_RNA)
where:
Base-Base interactions energy: -129.597
where: short stacking energy: -61.653
Base-Backbone interact. energy: -0.395
local terms energy: -76.692808
where:
bonds (distance) C4'-P energy: -20.884
bonds (distance) P-C4' energy: -20.124
flat angles C4'-P-C4' energy: -19.366
flat angles P-C4'-P energy: -4.832
tors. eta vs tors. theta energy: -11.486
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -289.715516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.715516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.749676 (E_RNA)
where:
Base-Base interactions energy: -177.120
where: short stacking energy: -95.740
Base-Backbone interact. energy: -0.029
local terms energy: -112.600935
where:
bonds (distance) C4'-P energy: -21.276
bonds (distance) P-C4' energy: -23.675
flat angles C4'-P-C4' energy: -22.969
flat angles P-C4'-P energy: -20.131
tors. eta vs tors. theta energy: -24.550
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: 290
Temperature: 0.950000
Total energy: -272.688262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.688262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.095713 (E_RNA)
where:
Base-Base interactions energy: -170.274
where: short stacking energy: -85.940
Base-Backbone interact. energy: -0.185
local terms energy: -104.636648
where:
bonds (distance) C4'-P energy: -15.628
bonds (distance) P-C4' energy: -21.872
flat angles C4'-P-C4' energy: -25.623
flat angles P-C4'-P energy: -18.365
tors. eta vs tors. theta energy: -23.148
Dist. restrs. and SS energy: 2.407 (S_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: -268.447516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.447516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.362192 (E_RNA)
where:
Base-Base interactions energy: -172.863
where: short stacking energy: -88.860
Base-Backbone interact. energy: -0.119
local terms energy: -97.380357
where:
bonds (distance) C4'-P energy: -21.568
bonds (distance) P-C4' energy: -19.361
flat angles C4'-P-C4' energy: -20.920
flat angles P-C4'-P energy: -15.090
tors. eta vs tors. theta energy: -20.441
Dist. restrs. and SS energy: 1.915 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -251.732685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.732685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.035417 (E_RNA)
where:
Base-Base interactions energy: -155.138
where: short stacking energy: -83.490
Base-Backbone interact. energy: -0.657
local terms energy: -96.240164
where:
bonds (distance) C4'-P energy: -18.790
bonds (distance) P-C4' energy: -23.020
flat angles C4'-P-C4' energy: -21.882
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: -20.411
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: 5, replica: 6
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -234.916413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.916413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.966050 (E_RNA)
where:
Base-Base interactions energy: -135.971
where: short stacking energy: -70.997
Base-Backbone interact. energy: -0.304
local terms energy: -98.691242
where:
bonds (distance) C4'-P energy: -18.095
bonds (distance) P-C4' energy: -20.598
flat angles C4'-P-C4' energy: -24.105
flat angles P-C4'-P energy: -16.819
tors. eta vs tors. theta energy: -19.074
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -221.296170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.296170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.433551 (E_RNA)
where:
Base-Base interactions energy: -143.048
where: short stacking energy: -73.444
Base-Backbone interact. energy: 1.489
local terms energy: -79.874838
where:
bonds (distance) C4'-P energy: -13.972
bonds (distance) P-C4' energy: -23.855
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -15.910
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: 2
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -225.247594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.247594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.590155 (E_RNA)
where:
Base-Base interactions energy: -131.005
where: short stacking energy: -60.875
Base-Backbone interact. energy: -0.109
local terms energy: -94.475644
where:
bonds (distance) C4'-P energy: -17.651
bonds (distance) P-C4' energy: -20.538
flat angles C4'-P-C4' energy: -19.174
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: -24.890
Dist. restrs. and SS energy: 0.343 (S_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: 290
Temperature: 1.250000
Total energy: -202.315884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.315884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.500841 (E_RNA)
where:
Base-Base interactions energy: -109.313
where: short stacking energy: -50.586
Base-Backbone interact. energy: -0.138
local terms energy: -93.050347
where:
bonds (distance) C4'-P energy: -21.337
bonds (distance) P-C4' energy: -23.446
flat angles C4'-P-C4' energy: -24.648
flat angles P-C4'-P energy: -12.275
tors. eta vs tors. theta energy: -11.344
Dist. restrs. and SS energy: 0.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -205.530605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.530605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.603563 (E_RNA)
where:
Base-Base interactions energy: -118.892
where: short stacking energy: -58.644
Base-Backbone interact. energy: -0.559
local terms energy: -86.153238
where:
bonds (distance) C4'-P energy: -22.687
bonds (distance) P-C4' energy: -22.293
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -14.867
tors. eta vs tors. theta energy: -7.863
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: 10, replica: 7
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -197.873552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.873552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.890434 (E_RNA)
where:
Base-Base interactions energy: -122.427
where: short stacking energy: -50.668
Base-Backbone interact. energy: 1.904
local terms energy: -77.368290
where:
bonds (distance) C4'-P energy: -17.272
bonds (distance) P-C4' energy: -17.278
flat angles C4'-P-C4' energy: -18.210
flat angles P-C4'-P energy: -15.645
tors. eta vs tors. theta energy: -8.963
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: 4
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -277.810277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.810277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.825009 (E_RNA)
where:
Base-Base interactions energy: -158.894
where: short stacking energy: -93.098
Base-Backbone interact. energy: -0.093
local terms energy: -118.838143
where:
bonds (distance) C4'-P energy: -24.837
bonds (distance) P-C4' energy: -23.271
flat angles C4'-P-C4' energy: -24.752
flat angles P-C4'-P energy: -20.788
tors. eta vs tors. theta energy: -25.191
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: 3
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -282.583190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.583190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.498495 (E_RNA)
where:
Base-Base interactions energy: -168.849
where: short stacking energy: -95.263
Base-Backbone interact. energy: 0.419
local terms energy: -115.068871
where:
bonds (distance) C4'-P energy: -20.799
bonds (distance) P-C4' energy: -25.009
flat angles C4'-P-C4' energy: -21.601
flat angles P-C4'-P energy: -20.003
tors. eta vs tors. theta energy: -27.657
Dist. restrs. and SS energy: 0.915 (S_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: 291
Temperature: 1.000000
Total energy: -273.332452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.332452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.423101 (E_RNA)
where:
Base-Base interactions energy: -179.052
where: short stacking energy: -95.127
Base-Backbone interact. energy: -0.426
local terms energy: -94.944811
where:
bonds (distance) C4'-P energy: -19.686
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -24.318
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -22.328
Dist. restrs. and SS energy: 1.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -259.974880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.974880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.991499 (E_RNA)
where:
Base-Base interactions energy: -160.647
where: short stacking energy: -92.207
Base-Backbone interact. energy: -0.060
local terms energy: -99.284728
where:
bonds (distance) C4'-P energy: -20.484
bonds (distance) P-C4' energy: -20.206
flat angles C4'-P-C4' energy: -22.616
flat angles P-C4'-P energy: -14.673
tors. eta vs tors. theta energy: -21.306
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: 1
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -243.959817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.959817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.068575 (E_RNA)
where:
Base-Base interactions energy: -149.284
where: short stacking energy: -77.105
Base-Backbone interact. energy: -0.459
local terms energy: -94.325954
where:
bonds (distance) C4'-P energy: -15.790
bonds (distance) P-C4' energy: -21.399
flat angles C4'-P-C4' energy: -27.127
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -19.550
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: 2
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -247.044746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.044746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.084684 (E_RNA)
where:
Base-Base interactions energy: -150.765
where: short stacking energy: -82.634
Base-Backbone interact. energy: -0.147
local terms energy: -96.172744
where:
bonds (distance) C4'-P energy: -17.495
bonds (distance) P-C4' energy: -21.571
flat angles C4'-P-C4' energy: -21.518
flat angles P-C4'-P energy: -14.889
tors. eta vs tors. theta energy: -20.699
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: 291
Temperature: 1.200000
Total energy: -202.737988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.737988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.759315 (E_RNA)
where:
Base-Base interactions energy: -124.721
where: short stacking energy: -62.789
Base-Backbone interact. energy: -0.243
local terms energy: -77.795726
where:
bonds (distance) C4'-P energy: -22.427
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -17.792
flat angles P-C4'-P energy: -14.478
tors. eta vs tors. theta energy: -7.375
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: 291
Temperature: 1.250000
Total energy: -211.799887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.799887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.897464 (E_RNA)
where:
Base-Base interactions energy: -137.938
where: short stacking energy: -57.872
Base-Backbone interact. energy: 1.841
local terms energy: -75.800516
where:
bonds (distance) C4'-P energy: -21.948
bonds (distance) P-C4' energy: -11.858
flat angles C4'-P-C4' energy: -17.793
flat angles P-C4'-P energy: -5.903
tors. eta vs tors. theta energy: -18.299
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: 8
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -212.483754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.483754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.623310 (E_RNA)
where:
Base-Base interactions energy: -136.998
where: short stacking energy: -73.459
Base-Backbone interact. energy: -0.220
local terms energy: -75.405346
where:
bonds (distance) C4'-P energy: -16.903
bonds (distance) P-C4' energy: -16.177
flat angles C4'-P-C4' energy: -19.275
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -12.837
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: 10, replica: 7
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -208.442596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.442596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.468910 (E_RNA)
where:
Base-Base interactions energy: -127.676
where: short stacking energy: -66.604
Base-Backbone interact. energy: -0.075
local terms energy: -80.718231
where:
bonds (distance) C4'-P energy: -17.016
bonds (distance) P-C4' energy: -20.221
flat angles C4'-P-C4' energy: -16.553
flat angles P-C4'-P energy: -13.646
tors. eta vs tors. theta energy: -13.282
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: 3
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -291.091226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.091226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.267046 (E_RNA)
where:
Base-Base interactions energy: -179.065
where: short stacking energy: -101.852
Base-Backbone interact. energy: -0.003
local terms energy: -113.199718
where:
bonds (distance) C4'-P energy: -23.952
bonds (distance) P-C4' energy: -20.653
flat angles C4'-P-C4' energy: -22.171
flat angles P-C4'-P energy: -17.378
tors. eta vs tors. theta energy: -29.045
Dist. restrs. and SS energy: 1.176 (S_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: 292
Temperature: 0.950000
Total energy: -272.370194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.370194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.515679 (E_RNA)
where:
Base-Base interactions energy: -163.017
where: short stacking energy: -91.496
Base-Backbone interact. energy: -0.027
local terms energy: -109.471204
where:
bonds (distance) C4'-P energy: -22.228
bonds (distance) P-C4' energy: -24.590
flat angles C4'-P-C4' energy: -23.684
flat angles P-C4'-P energy: -17.150
tors. eta vs tors. theta energy: -21.819
Dist. restrs. and SS energy: 0.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -285.312297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.312297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.326216 (E_RNA)
where:
Base-Base interactions energy: -174.212
where: short stacking energy: -85.282
Base-Backbone interact. energy: -0.344
local terms energy: -112.770443
where:
bonds (distance) C4'-P energy: -21.798
bonds (distance) P-C4' energy: -23.411
flat angles C4'-P-C4' energy: -21.793
flat angles P-C4'-P energy: -19.000
tors. eta vs tors. theta energy: -26.769
Dist. restrs. and SS energy: 2.014 (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: 6
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -257.613947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.613947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.642609 (E_RNA)
where:
Base-Base interactions energy: -156.718
where: short stacking energy: -88.801
Base-Backbone interact. energy: -0.150
local terms energy: -100.774423
where:
bonds (distance) C4'-P energy: -17.357
bonds (distance) P-C4' energy: -24.641
flat angles C4'-P-C4' energy: -19.618
flat angles P-C4'-P energy: -16.209
tors. eta vs tors. theta energy: -22.949
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: 1
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -235.116815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.116815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.196989 (E_RNA)
where:
Base-Base interactions energy: -130.862
where: short stacking energy: -71.055
Base-Backbone interact. energy: -0.115
local terms energy: -104.220003
where:
bonds (distance) C4'-P energy: -23.004
bonds (distance) P-C4' energy: -23.052
flat angles C4'-P-C4' energy: -23.072
flat angles P-C4'-P energy: -16.658
tors. eta vs tors. theta energy: -18.435
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -252.540851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.540851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.648767 (E_RNA)
where:
Base-Base interactions energy: -155.863
where: short stacking energy: -81.842
Base-Backbone interact. energy: 0.410
local terms energy: -97.196323
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -21.302
flat angles C4'-P-C4' energy: -23.197
flat angles P-C4'-P energy: -18.649
tors. eta vs tors. theta energy: -19.406
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: 5
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -239.136031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.136031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.588654 (E_RNA)
where:
Base-Base interactions energy: -141.002
where: short stacking energy: -67.998
Base-Backbone interact. energy: -0.073
local terms energy: -98.513814
where:
bonds (distance) C4'-P energy: -19.798
bonds (distance) P-C4' energy: -25.649
flat angles C4'-P-C4' energy: -18.363
flat angles P-C4'-P energy: -14.925
tors. eta vs tors. theta energy: -19.779
Dist. restrs. and SS energy: 0.453 (S_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: 292
Temperature: 1.250000
Total energy: -209.927447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.927447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.499795 (E_RNA)
where:
Base-Base interactions energy: -129.956
where: short stacking energy: -61.648
Base-Backbone interact. energy: -0.311
local terms energy: -81.232401
where:
bonds (distance) C4'-P energy: -19.867
bonds (distance) P-C4' energy: -22.961
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -7.425
tors. eta vs tors. theta energy: -15.702
Dist. restrs. and SS energy: 1.572 (S_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: 292
Temperature: 1.300000
Total energy: -203.718692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.718692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.779183 (E_RNA)
where:
Base-Base interactions energy: -115.031
where: short stacking energy: -54.470
Base-Backbone interact. energy: -0.091
local terms energy: -88.657113
where:
bonds (distance) C4'-P energy: -21.864
bonds (distance) P-C4' energy: -22.012
flat angles C4'-P-C4' energy: -21.922
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -11.699
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: 292
Temperature: 1.350000
Total energy: -201.611652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.611652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.615557 (E_RNA)
where:
Base-Base interactions energy: -118.016
where: short stacking energy: -57.689
Base-Backbone interact. energy: -0.312
local terms energy: -83.287157
where:
bonds (distance) C4'-P energy: -24.040
bonds (distance) P-C4' energy: -12.186
flat angles C4'-P-C4' energy: -20.320
flat angles P-C4'-P energy: -14.196
tors. eta vs tors. theta energy: -12.545
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: 1, replica: 3
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -288.172751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.172751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.172936 (E_RNA)
where:
Base-Base interactions energy: -172.135
where: short stacking energy: -101.466
Base-Backbone interact. energy: -0.165
local terms energy: -115.873107
where:
bonds (distance) C4'-P energy: -24.579
bonds (distance) P-C4' energy: -25.579
flat angles C4'-P-C4' energy: -20.317
flat angles P-C4'-P energy: -16.526
tors. eta vs tors. theta energy: -28.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -291.965741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.965741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.804388 (E_RNA)
where:
Base-Base interactions energy: -176.716
where: short stacking energy: -95.184
Base-Backbone interact. energy: -0.223
local terms energy: -115.865506
where:
bonds (distance) C4'-P energy: -20.000
bonds (distance) P-C4' energy: -24.293
flat angles C4'-P-C4' energy: -24.388
flat angles P-C4'-P energy: -19.627
tors. eta vs tors. theta energy: -27.558
Dist. restrs. and SS energy: 0.839 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -269.035525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.035525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.156727 (E_RNA)
where:
Base-Base interactions energy: -172.644
where: short stacking energy: -95.325
Base-Backbone interact. energy: -0.118
local terms energy: -97.394234
where:
bonds (distance) C4'-P energy: -20.132
bonds (distance) P-C4' energy: -18.252
flat angles C4'-P-C4' energy: -17.187
flat angles P-C4'-P energy: -17.438
tors. eta vs tors. theta energy: -24.385
Dist. restrs. and SS energy: 1.121 (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: 293
Temperature: 1.050000
Total energy: -245.892780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.892780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.248269 (E_RNA)
where:
Base-Base interactions energy: -148.152
where: short stacking energy: -71.328
Base-Backbone interact. energy: -0.022
local terms energy: -98.073631
where:
bonds (distance) C4'-P energy: -20.645
bonds (distance) P-C4' energy: -20.022
flat angles C4'-P-C4' energy: -19.197
flat angles P-C4'-P energy: -18.332
tors. eta vs tors. theta energy: -19.877
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: 5, replica: 6
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -247.823646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.823646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.991798 (E_RNA)
where:
Base-Base interactions energy: -156.929
where: short stacking energy: -73.614
Base-Backbone interact. energy: -0.153
local terms energy: -90.909664
where:
bonds (distance) C4'-P energy: -8.857
bonds (distance) P-C4' energy: -21.805
flat angles C4'-P-C4' energy: -23.335
flat angles P-C4'-P energy: -17.285
tors. eta vs tors. theta energy: -19.628
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: 6, replica: 5
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -258.721214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.721214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.932324 (E_RNA)
where:
Base-Base interactions energy: -152.915
where: short stacking energy: -96.193
Base-Backbone interact. energy: -0.222
local terms energy: -105.795217
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -23.034
flat angles C4'-P-C4' energy: -22.412
flat angles P-C4'-P energy: -16.316
tors. eta vs tors. theta energy: -26.945
Dist. restrs. and SS energy: 0.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -238.451012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.451012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.451012 (E_RNA)
where:
Base-Base interactions energy: -137.503
where: short stacking energy: -72.628
Base-Backbone interact. energy: -0.104
local terms energy: -100.843431
where:
bonds (distance) C4'-P energy: -22.598
bonds (distance) P-C4' energy: -26.033
flat angles C4'-P-C4' energy: -22.266
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -20.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -220.836190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.836190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.388654 (E_RNA)
where:
Base-Base interactions energy: -125.764
where: short stacking energy: -60.026
Base-Backbone interact. energy: -0.503
local terms energy: -95.122518
where:
bonds (distance) C4'-P energy: -18.587
bonds (distance) P-C4' energy: -23.652
flat angles C4'-P-C4' energy: -22.240
flat angles P-C4'-P energy: -17.916
tors. eta vs tors. theta energy: -12.727
Dist. restrs. and SS energy: 0.552 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -231.414764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.414764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.025590 (E_RNA)
where:
Base-Base interactions energy: -141.024
where: short stacking energy: -66.017
Base-Backbone interact. energy: -0.208
local terms energy: -90.793889
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -25.470
flat angles C4'-P-C4' energy: -17.688
flat angles P-C4'-P energy: -19.231
tors. eta vs tors. theta energy: -13.767
Dist. restrs. and SS energy: 0.611 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -207.555826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.555826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.605297 (E_RNA)
where:
Base-Base interactions energy: -121.738
where: short stacking energy: -61.864
Base-Backbone interact. energy: -0.490
local terms energy: -85.377065
where:
bonds (distance) C4'-P energy: -15.723
bonds (distance) P-C4' energy: -22.270
flat angles C4'-P-C4' energy: -21.318
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -13.751
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: 3
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -284.775105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.775105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.775105 (E_RNA)
where:
Base-Base interactions energy: -166.970
where: short stacking energy: -99.155
Base-Backbone interact. energy: -0.002
local terms energy: -117.803794
where:
bonds (distance) C4'-P energy: -22.194
bonds (distance) P-C4' energy: -23.626
flat angles C4'-P-C4' energy: -26.910
flat angles P-C4'-P energy: -18.932
tors. eta vs tors. theta energy: -26.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -289.024300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.024300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.129752 (E_RNA)
where:
Base-Base interactions energy: -187.090
where: short stacking energy: -105.229
Base-Backbone interact. energy: -0.509
local terms energy: -101.530960
where:
bonds (distance) C4'-P energy: -19.401
bonds (distance) P-C4' energy: -24.760
flat angles C4'-P-C4' energy: -22.723
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -24.851
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -268.317840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.317840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.393944 (E_RNA)
where:
Base-Base interactions energy: -159.165
where: short stacking energy: -96.479
Base-Backbone interact. energy: -0.081
local terms energy: -109.148204
where:
bonds (distance) C4'-P energy: -21.137
bonds (distance) P-C4' energy: -24.412
flat angles C4'-P-C4' energy: -23.785
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: -27.006
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: 1
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -266.471602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.471602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.486945 (E_RNA)
where:
Base-Base interactions energy: -166.002
where: short stacking energy: -96.318
Base-Backbone interact. energy: -0.032
local terms energy: -100.452772
where:
bonds (distance) C4'-P energy: -18.815
bonds (distance) P-C4' energy: -21.139
flat angles C4'-P-C4' energy: -22.287
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -27.423
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: 294
Temperature: 1.100000
Total energy: -252.602834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.602834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.857781 (E_RNA)
where:
Base-Base interactions energy: -153.466
where: short stacking energy: -94.730
Base-Backbone interact. energy: -0.150
local terms energy: -99.241944
where:
bonds (distance) C4'-P energy: -21.275
bonds (distance) P-C4' energy: -15.546
flat angles C4'-P-C4' energy: -23.594
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -26.825
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: 6, replica: 6
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -238.940421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.940421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.089184 (E_RNA)
where:
Base-Base interactions energy: -148.716
where: short stacking energy: -77.478
Base-Backbone interact. energy: -0.423
local terms energy: -89.949993
where:
bonds (distance) C4'-P energy: -21.372
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -18.833
flat angles P-C4'-P energy: -13.336
tors. eta vs tors. theta energy: -19.168
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: 2
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -226.133940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.133940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.150834 (E_RNA)
where:
Base-Base interactions energy: -125.877
where: short stacking energy: -58.997
Base-Backbone interact. energy: 0.936
local terms energy: -101.210452
where:
bonds (distance) C4'-P energy: -24.116
bonds (distance) P-C4' energy: -23.918
flat angles C4'-P-C4' energy: -19.675
flat angles P-C4'-P energy: -20.112
tors. eta vs tors. theta energy: -13.389
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -219.019168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.019168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.173467 (E_RNA)
where:
Base-Base interactions energy: -148.648
where: short stacking energy: -79.016
Base-Backbone interact. energy: -0.668
local terms energy: -69.857415
where:
bonds (distance) C4'-P energy: -17.402
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -16.418
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: -12.203
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: 8
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -217.278316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.278316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.300472 (E_RNA)
where:
Base-Base interactions energy: -133.030
where: short stacking energy: -64.819
Base-Backbone interact. energy: -0.229
local terms energy: -84.041557
where:
bonds (distance) C4'-P energy: -19.344
bonds (distance) P-C4' energy: -21.566
flat angles C4'-P-C4' energy: -17.873
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -17.414
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: 10
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -211.692370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.692370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.711457 (E_RNA)
where:
Base-Base interactions energy: -129.433
where: short stacking energy: -65.620
Base-Backbone interact. energy: -0.601
local terms energy: -81.676993
where:
bonds (distance) C4'-P energy: -19.318
bonds (distance) P-C4' energy: -18.039
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -15.134
tors. eta vs tors. theta energy: -12.953
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: 1, replica: 3
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -289.126135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.126135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.170523 (E_RNA)
where:
Base-Base interactions energy: -179.604
where: short stacking energy: -108.142
Base-Backbone interact. energy: 0.463
local terms energy: -110.029575
where:
bonds (distance) C4'-P energy: -23.474
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -25.107
flat angles P-C4'-P energy: -19.087
tors. eta vs tors. theta energy: -25.695
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: 4
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -294.772194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.772194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.030990 (E_RNA)
where:
Base-Base interactions energy: -180.384
where: short stacking energy: -113.674
Base-Backbone interact. energy: -0.118
local terms energy: -114.529517
where:
bonds (distance) C4'-P energy: -23.178
bonds (distance) P-C4' energy: -22.454
flat angles C4'-P-C4' energy: -23.108
flat angles P-C4'-P energy: -16.722
tors. eta vs tors. theta energy: -29.068
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: 3, replica: 9
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -264.190835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.190835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.205384 (E_RNA)
where:
Base-Base interactions energy: -157.971
where: short stacking energy: -91.530
Base-Backbone interact. energy: 0.237
local terms energy: -106.471140
where:
bonds (distance) C4'-P energy: -22.774
bonds (distance) P-C4' energy: -23.690
flat angles C4'-P-C4' energy: -23.814
flat angles P-C4'-P energy: -15.976
tors. eta vs tors. theta energy: -20.217
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: 5
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -248.089480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.089480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.216244 (E_RNA)
where:
Base-Base interactions energy: -150.628
where: short stacking energy: -84.903
Base-Backbone interact. energy: -0.590
local terms energy: -96.997626
where:
bonds (distance) C4'-P energy: -25.639
bonds (distance) P-C4' energy: -22.592
flat angles C4'-P-C4' energy: -18.753
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: -20.874
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: 5, replica: 1
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -238.830734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.830734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.975942 (E_RNA)
where:
Base-Base interactions energy: -140.455
where: short stacking energy: -71.379
Base-Backbone interact. energy: 1.351
local terms energy: -99.872586
where:
bonds (distance) C4'-P energy: -21.554
bonds (distance) P-C4' energy: -21.560
flat angles C4'-P-C4' energy: -20.013
flat angles P-C4'-P energy: -17.511
tors. eta vs tors. theta energy: -19.234
Dist. restrs. and SS energy: 0.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -242.935694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.935694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.995326 (E_RNA)
where:
Base-Base interactions energy: -146.389
where: short stacking energy: -73.350
Base-Backbone interact. energy: -0.072
local terms energy: -96.533660
where:
bonds (distance) C4'-P energy: -20.270
bonds (distance) P-C4' energy: -20.165
flat angles C4'-P-C4' energy: -24.748
flat angles P-C4'-P energy: -16.305
tors. eta vs tors. theta energy: -15.045
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: 6
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -224.661261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.661261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.719309 (E_RNA)
where:
Base-Base interactions energy: -132.813
where: short stacking energy: -67.253
Base-Backbone interact. energy: -0.035
local terms energy: -91.871511
where:
bonds (distance) C4'-P energy: -21.226
bonds (distance) P-C4' energy: -19.548
flat angles C4'-P-C4' energy: -19.984
flat angles P-C4'-P energy: -12.814
tors. eta vs tors. theta energy: -18.299
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -210.944460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.944460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.644066 (E_RNA)
where:
Base-Base interactions energy: -136.329
where: short stacking energy: -70.330
Base-Backbone interact. energy: 1.408
local terms energy: -77.723151
where:
bonds (distance) C4'-P energy: -22.517
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -17.113
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -15.761
Dist. restrs. and SS energy: 1.700 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -217.219933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.219933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.432072 (E_RNA)
where:
Base-Base interactions energy: -134.576
where: short stacking energy: -65.305
Base-Backbone interact. energy: 0.050
local terms energy: -82.906388
where:
bonds (distance) C4'-P energy: -19.838
bonds (distance) P-C4' energy: -20.683
flat angles C4'-P-C4' energy: -19.195
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -15.053
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: 10, replica: 10
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -213.214740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.214740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.225963 (E_RNA)
where:
Base-Base interactions energy: -132.125
where: short stacking energy: -62.069
Base-Backbone interact. energy: -0.138
local terms energy: -80.962614
where:
bonds (distance) C4'-P energy: -12.735
bonds (distance) P-C4' energy: -19.410
flat angles C4'-P-C4' energy: -20.949
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -15.760
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: 4
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -301.916764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.916764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.916764 (E_RNA)
where:
Base-Base interactions energy: -187.478
where: short stacking energy: -107.281
Base-Backbone interact. energy: -0.005
local terms energy: -114.434456
where:
bonds (distance) C4'-P energy: -22.052
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -25.646
flat angles P-C4'-P energy: -14.807
tors. eta vs tors. theta energy: -33.779
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -292.899062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.899062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.965082 (E_RNA)
where:
Base-Base interactions energy: -180.157
where: short stacking energy: -101.051
Base-Backbone interact. energy: -0.427
local terms energy: -112.380954
where:
bonds (distance) C4'-P energy: -18.490
bonds (distance) P-C4' energy: -20.717
flat angles C4'-P-C4' energy: -22.627
flat angles P-C4'-P energy: -18.415
tors. eta vs tors. theta energy: -32.132
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: 296
Temperature: 1.000000
Total energy: -268.931672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.931672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.931672 (E_RNA)
where:
Base-Base interactions energy: -174.614
where: short stacking energy: -77.244
Base-Backbone interact. energy: -0.615
local terms energy: -93.702378
where:
bonds (distance) C4'-P energy: -19.135
bonds (distance) P-C4' energy: -16.736
flat angles C4'-P-C4' energy: -26.126
flat angles P-C4'-P energy: -15.276
tors. eta vs tors. theta energy: -16.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -274.861258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.861258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.056617 (E_RNA)
where:
Base-Base interactions energy: -162.128
where: short stacking energy: -96.140
Base-Backbone interact. energy: -0.098
local terms energy: -112.830921
where:
bonds (distance) C4'-P energy: -19.015
bonds (distance) P-C4' energy: -22.557
flat angles C4'-P-C4' energy: -25.996
flat angles P-C4'-P energy: -18.322
tors. eta vs tors. theta energy: -26.941
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: 296
Temperature: 1.100000
Total energy: -230.003767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.003767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.135701 (E_RNA)
where:
Base-Base interactions energy: -136.338
where: short stacking energy: -79.030
Base-Backbone interact. energy: -1.984
local terms energy: -91.813557
where:
bonds (distance) C4'-P energy: -23.098
bonds (distance) P-C4' energy: -21.724
flat angles C4'-P-C4' energy: -20.030
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -16.926
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -242.233181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.233181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.288684 (E_RNA)
where:
Base-Base interactions energy: -142.429
where: short stacking energy: -69.406
Base-Backbone interact. energy: -0.179
local terms energy: -99.680812
where:
bonds (distance) C4'-P energy: -21.668
bonds (distance) P-C4' energy: -24.579
flat angles C4'-P-C4' energy: -20.266
flat angles P-C4'-P energy: -14.949
tors. eta vs tors. theta energy: -18.220
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: 7
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -224.872456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.872456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.872456 (E_RNA)
where:
Base-Base interactions energy: -141.341
where: short stacking energy: -67.275
Base-Backbone interact. energy: -1.206
local terms energy: -82.324748
where:
bonds (distance) C4'-P energy: -22.275
bonds (distance) P-C4' energy: -18.526
flat angles C4'-P-C4' energy: -21.107
flat angles P-C4'-P energy: -5.762
tors. eta vs tors. theta energy: -14.656
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -217.275906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.275906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.333972 (E_RNA)
where:
Base-Base interactions energy: -131.446
where: short stacking energy: -66.264
Base-Backbone interact. energy: 1.174
local terms energy: -87.062080
where:
bonds (distance) C4'-P energy: -20.878
bonds (distance) P-C4' energy: -20.416
flat angles C4'-P-C4' energy: -19.462
flat angles P-C4'-P energy: -13.014
tors. eta vs tors. theta energy: -13.292
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: 10
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -203.463382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.463382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.541928 (E_RNA)
where:
Base-Base interactions energy: -130.256
where: short stacking energy: -67.434
Base-Backbone interact. energy: -0.742
local terms energy: -72.544343
where:
bonds (distance) C4'-P energy: -23.018
bonds (distance) P-C4' energy: -11.335
flat angles C4'-P-C4' energy: -19.686
flat angles P-C4'-P energy: -4.657
tors. eta vs tors. theta energy: -13.848
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -201.013308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.013308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.013308 (E_RNA)
where:
Base-Base interactions energy: -116.606
where: short stacking energy: -58.169
Base-Backbone interact. energy: -0.390
local terms energy: -84.017078
where:
bonds (distance) C4'-P energy: -22.187
bonds (distance) P-C4' energy: -23.268
flat angles C4'-P-C4' energy: -18.503
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -8.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -292.482754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.482754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.515534 (E_RNA)
where:
Base-Base interactions energy: -183.400
where: short stacking energy: -99.081
Base-Backbone interact. energy: -0.264
local terms energy: -108.851299
where:
bonds (distance) C4'-P energy: -19.928
bonds (distance) P-C4' energy: -21.480
flat angles C4'-P-C4' energy: -24.222
flat angles P-C4'-P energy: -15.602
tors. eta vs tors. theta energy: -27.619
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: 297
Temperature: 0.950000
Total energy: -265.285937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.285937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.285937 (E_RNA)
where:
Base-Base interactions energy: -160.982
where: short stacking energy: -86.761
Base-Backbone interact. energy: -0.230
local terms energy: -104.074048
where:
bonds (distance) C4'-P energy: -25.245
bonds (distance) P-C4' energy: -22.443
flat angles C4'-P-C4' energy: -21.862
flat angles P-C4'-P energy: -13.969
tors. eta vs tors. theta energy: -20.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -274.580530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.580530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.580530 (E_RNA)
where:
Base-Base interactions energy: -167.435
where: short stacking energy: -91.665
Base-Backbone interact. energy: -0.254
local terms energy: -106.891723
where:
bonds (distance) C4'-P energy: -18.158
bonds (distance) P-C4' energy: -22.034
flat angles C4'-P-C4' energy: -25.665
flat angles P-C4'-P energy: -16.421
tors. eta vs tors. theta energy: -24.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -283.373324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.373324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.108358 (E_RNA)
where:
Base-Base interactions energy: -179.870
where: short stacking energy: -88.330
Base-Backbone interact. energy: -0.118
local terms energy: -105.120556
where:
bonds (distance) C4'-P energy: -20.960
bonds (distance) P-C4' energy: -21.962
flat angles C4'-P-C4' energy: -18.329
flat angles P-C4'-P energy: -18.082
tors. eta vs tors. theta energy: -25.788
Dist. restrs. and SS energy: 1.735 (S_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: -246.780724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.780724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.850453 (E_RNA)
where:
Base-Base interactions energy: -143.715
where: short stacking energy: -88.411
Base-Backbone interact. energy: -0.039
local terms energy: -103.096424
where:
bonds (distance) C4'-P energy: -19.454
bonds (distance) P-C4' energy: -21.074
flat angles C4'-P-C4' energy: -24.607
flat angles P-C4'-P energy: -16.137
tors. eta vs tors. theta energy: -21.824
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: 297
Temperature: 1.150000
Total energy: -253.282422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.282422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.420581 (E_RNA)
where:
Base-Base interactions energy: -153.215
where: short stacking energy: -74.028
Base-Backbone interact. energy: -0.305
local terms energy: -99.900559
where:
bonds (distance) C4'-P energy: -21.606
bonds (distance) P-C4' energy: -21.297
flat angles C4'-P-C4' energy: -18.823
flat angles P-C4'-P energy: -14.477
tors. eta vs tors. theta energy: -23.696
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: 7, replica: 1
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -226.197905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.197905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.312703 (E_RNA)
where:
Base-Base interactions energy: -131.536
where: short stacking energy: -66.079
Base-Backbone interact. energy: 0.214
local terms energy: -94.990792
where:
bonds (distance) C4'-P energy: -18.655
bonds (distance) P-C4' energy: -25.477
flat angles C4'-P-C4' energy: -19.729
flat angles P-C4'-P energy: -16.298
tors. eta vs tors. theta energy: -14.831
Dist. restrs. and SS energy: 0.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -215.329383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.329383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.547655 (E_RNA)
where:
Base-Base interactions energy: -125.963
where: short stacking energy: -71.850
Base-Backbone interact. energy: -0.560
local terms energy: -89.024187
where:
bonds (distance) C4'-P energy: -18.352
bonds (distance) P-C4' energy: -25.313
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -14.671
tors. eta vs tors. theta energy: -14.176
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: 6
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -227.173773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.173773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.435482 (E_RNA)
where:
Base-Base interactions energy: -142.148
where: short stacking energy: -74.495
Base-Backbone interact. energy: -0.195
local terms energy: -85.092665
where:
bonds (distance) C4'-P energy: -19.822
bonds (distance) P-C4' energy: -14.048
flat angles C4'-P-C4' energy: -20.383
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -20.760
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: 10, replica: 8
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -204.307737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.307737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.341493 (E_RNA)
where:
Base-Base interactions energy: -122.571
where: short stacking energy: -58.058
Base-Backbone interact. energy: -0.083
local terms energy: -81.687255
where:
bonds (distance) C4'-P energy: -19.939
bonds (distance) P-C4' energy: -20.437
flat angles C4'-P-C4' energy: -23.553
flat angles P-C4'-P energy: -5.755
tors. eta vs tors. theta energy: -12.004
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -289.774348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.774348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.808189 (E_RNA)
where:
Base-Base interactions energy: -175.894
where: short stacking energy: -105.301
Base-Backbone interact. energy: -0.262
local terms energy: -113.653054
where:
bonds (distance) C4'-P energy: -23.436
bonds (distance) P-C4' energy: -26.045
flat angles C4'-P-C4' energy: -18.477
flat angles P-C4'-P energy: -18.852
tors. eta vs tors. theta energy: -26.844
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: 298
Temperature: 0.950000
Total energy: -277.429900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.429900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.168064 (E_RNA)
where:
Base-Base interactions energy: -172.105
where: short stacking energy: -100.023
Base-Backbone interact. energy: -0.017
local terms energy: -107.045793
where:
bonds (distance) C4'-P energy: -18.858
bonds (distance) P-C4' energy: -24.201
flat angles C4'-P-C4' energy: -23.554
flat angles P-C4'-P energy: -13.900
tors. eta vs tors. theta energy: -26.532
Dist. restrs. and SS energy: 1.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -280.801494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.801494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.814380 (E_RNA)
where:
Base-Base interactions energy: -174.025
where: short stacking energy: -99.690
Base-Backbone interact. energy: -0.353
local terms energy: -106.436038
where:
bonds (distance) C4'-P energy: -22.560
bonds (distance) P-C4' energy: -18.437
flat angles C4'-P-C4' energy: -25.020
flat angles P-C4'-P energy: -14.559
tors. eta vs tors. theta energy: -25.861
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: 298
Temperature: 1.050000
Total energy: -288.328440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.328440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.328325 (E_RNA)
where:
Base-Base interactions energy: -176.319
where: short stacking energy: -95.221
Base-Backbone interact. energy: -0.007
local terms energy: -113.002772
where:
bonds (distance) C4'-P energy: -21.113
bonds (distance) P-C4' energy: -22.669
flat angles C4'-P-C4' energy: -21.767
flat angles P-C4'-P energy: -17.439
tors. eta vs tors. theta energy: -30.016
Dist. restrs. and SS energy: 1.000 (S_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: 298
Temperature: 1.100000
Total energy: -255.595897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.595897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.680735 (E_RNA)
where:
Base-Base interactions energy: -145.750
where: short stacking energy: -73.394
Base-Backbone interact. energy: -0.528
local terms energy: -109.402571
where:
bonds (distance) C4'-P energy: -23.018
bonds (distance) P-C4' energy: -21.868
flat angles C4'-P-C4' energy: -21.662
flat angles P-C4'-P energy: -16.951
tors. eta vs tors. theta energy: -25.904
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: 2
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -233.222956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.222956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.565019 (E_RNA)
where:
Base-Base interactions energy: -150.725
where: short stacking energy: -71.482
Base-Backbone interact. energy: -0.095
local terms energy: -83.744934
where:
bonds (distance) C4'-P energy: -16.926
bonds (distance) P-C4' energy: -17.010
flat angles C4'-P-C4' energy: -17.391
flat angles P-C4'-P energy: -13.936
tors. eta vs tors. theta energy: -18.481
Dist. restrs. and SS energy: 1.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -245.895317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.895317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.637345 (E_RNA)
where:
Base-Base interactions energy: -149.423
where: short stacking energy: -80.046
Base-Backbone interact. energy: -0.213
local terms energy: -98.001651
where:
bonds (distance) C4'-P energy: -13.770
bonds (distance) P-C4' energy: -24.487
flat angles C4'-P-C4' energy: -25.557
flat angles P-C4'-P energy: -17.007
tors. eta vs tors. theta energy: -17.181
Dist. restrs. and SS energy: 1.742 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -219.240493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.240493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.306213 (E_RNA)
where:
Base-Base interactions energy: -133.041
where: short stacking energy: -75.511
Base-Backbone interact. energy: -0.171
local terms energy: -86.095192
where:
bonds (distance) C4'-P energy: -18.830
bonds (distance) P-C4' energy: -18.435
flat angles C4'-P-C4' energy: -19.833
flat angles P-C4'-P energy: -13.085
tors. eta vs tors. theta energy: -15.913
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: 6
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -209.200766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.200766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.614231 (E_RNA)
where:
Base-Base interactions energy: -122.300
where: short stacking energy: -63.812
Base-Backbone interact. energy: -0.082
local terms energy: -87.232391
where:
bonds (distance) C4'-P energy: -11.579
bonds (distance) P-C4' energy: -21.034
flat angles C4'-P-C4' energy: -23.204
flat angles P-C4'-P energy: -17.442
tors. eta vs tors. theta energy: -13.974
Dist. restrs. and SS energy: 0.413 (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: 298
Temperature: 1.350000
Total energy: -200.246091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.246091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.343943 (E_RNA)
where:
Base-Base interactions energy: -120.820
where: short stacking energy: -58.185
Base-Backbone interact. energy: -1.145
local terms energy: -78.379206
where:
bonds (distance) C4'-P energy: -19.682
bonds (distance) P-C4' energy: -23.614
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -9.014
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: 9
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -281.471720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.471720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.272104 (E_RNA)
where:
Base-Base interactions energy: -176.489
where: short stacking energy: -94.012
Base-Backbone interact. energy: -0.009
local terms energy: -106.774425
where:
bonds (distance) C4'-P energy: -20.150
bonds (distance) P-C4' energy: -23.401
flat angles C4'-P-C4' energy: -20.266
flat angles P-C4'-P energy: -16.887
tors. eta vs tors. theta energy: -26.071
Dist. restrs. and SS energy: 1.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -290.350520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.350520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.815018 (E_RNA)
where:
Base-Base interactions energy: -172.147
where: short stacking energy: -98.490
Base-Backbone interact. energy: -0.004
local terms energy: -118.663743
where:
bonds (distance) C4'-P energy: -25.909
bonds (distance) P-C4' energy: -24.786
flat angles C4'-P-C4' energy: -18.699
flat angles P-C4'-P energy: -19.618
tors. eta vs tors. theta energy: -29.652
Dist. restrs. and SS energy: 0.464 (S_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: 299
Temperature: 1.000000
Total energy: -263.646500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.646500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.366084 (E_RNA)
where:
Base-Base interactions energy: -162.034
where: short stacking energy: -78.090
Base-Backbone interact. energy: -0.173
local terms energy: -103.159372
where:
bonds (distance) C4'-P energy: -22.106
bonds (distance) P-C4' energy: -22.612
flat angles C4'-P-C4' energy: -19.954
flat angles P-C4'-P energy: -17.408
tors. eta vs tors. theta energy: -21.080
Dist. restrs. and SS energy: 1.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -290.629496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.629496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.752530 (E_RNA)
where:
Base-Base interactions energy: -179.742
where: short stacking energy: -95.067
Base-Backbone interact. energy: -0.009
local terms energy: -112.001571
where:
bonds (distance) C4'-P energy: -20.949
bonds (distance) P-C4' energy: -20.854
flat angles C4'-P-C4' energy: -23.909
flat angles P-C4'-P energy: -19.172
tors. eta vs tors. theta energy: -27.117
Dist. restrs. and SS energy: 1.123 (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: 5
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -254.877211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.877211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.920581 (E_RNA)
where:
Base-Base interactions energy: -155.357
where: short stacking energy: -78.495
Base-Backbone interact. energy: -0.081
local terms energy: -99.481940
where:
bonds (distance) C4'-P energy: -20.154
bonds (distance) P-C4' energy: -21.248
flat angles C4'-P-C4' energy: -22.097
flat angles P-C4'-P energy: -17.124
tors. eta vs tors. theta energy: -18.859
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: 2
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -243.754396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.754396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.754396 (E_RNA)
where:
Base-Base interactions energy: -144.963
where: short stacking energy: -74.498
Base-Backbone interact. energy: -0.186
local terms energy: -98.605723
where:
bonds (distance) C4'-P energy: -23.388
bonds (distance) P-C4' energy: -20.199
flat angles C4'-P-C4' energy: -18.122
flat angles P-C4'-P energy: -16.192
tors. eta vs tors. theta energy: -20.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -231.211174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.211174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.324300 (E_RNA)
where:
Base-Base interactions energy: -145.868
where: short stacking energy: -72.069
Base-Backbone interact. energy: -0.189
local terms energy: -85.266885
where:
bonds (distance) C4'-P energy: -24.270
bonds (distance) P-C4' energy: -19.932
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -13.047
tors. eta vs tors. theta energy: -11.359
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: 6
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -199.285916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.285916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.331530 (E_RNA)
where:
Base-Base interactions energy: -122.337
where: short stacking energy: -60.050
Base-Backbone interact. energy: -0.155
local terms energy: -76.839387
where:
bonds (distance) C4'-P energy: -18.374
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -23.344
flat angles P-C4'-P energy: -14.675
tors. eta vs tors. theta energy: -8.719
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: 1
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -226.593002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.593002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.729550 (E_RNA)
where:
Base-Base interactions energy: -136.254
where: short stacking energy: -71.954
Base-Backbone interact. energy: -0.204
local terms energy: -90.272325
where:
bonds (distance) C4'-P energy: -19.894
bonds (distance) P-C4' energy: -18.913
flat angles C4'-P-C4' energy: -19.107
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -19.886
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: 10, replica: 8
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -193.927687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.927687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.041190 (E_RNA)
where:
Base-Base interactions energy: -128.530
where: short stacking energy: -55.713
Base-Backbone interact. energy: -0.348
local terms energy: -65.163197
where:
bonds (distance) C4'-P energy: -16.010
bonds (distance) P-C4' energy: -19.186
flat angles C4'-P-C4' energy: -6.956
flat angles P-C4'-P energy: -14.090
tors. eta vs tors. theta energy: -8.922
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: 9
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -295.105564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.105564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.910328 (E_RNA)
where:
Base-Base interactions energy: -178.757
where: short stacking energy: -106.233
Base-Backbone interact. energy: -0.105
local terms energy: -117.047861
where:
bonds (distance) C4'-P energy: -22.939
bonds (distance) P-C4' energy: -25.790
flat angles C4'-P-C4' energy: -24.054
flat angles P-C4'-P energy: -17.464
tors. eta vs tors. theta energy: -26.801
Dist. restrs. and SS energy: 0.805 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -267.119935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.119935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.302946 (E_RNA)
where:
Base-Base interactions energy: -160.706
where: short stacking energy: -88.560
Base-Backbone interact. energy: 1.791
local terms energy: -108.387884
where:
bonds (distance) C4'-P energy: -20.783
bonds (distance) P-C4' energy: -23.489
flat angles C4'-P-C4' energy: -22.890
flat angles P-C4'-P energy: -16.811
tors. eta vs tors. theta energy: -24.415
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: 3, replica: 7
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -270.994209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.994209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.227482 (E_RNA)
where:
Base-Base interactions energy: -165.748
where: short stacking energy: -92.100
Base-Backbone interact. energy: -0.231
local terms energy: -105.248339
where:
bonds (distance) C4'-P energy: -17.785
bonds (distance) P-C4' energy: -21.050
flat angles C4'-P-C4' energy: -25.487
flat angles P-C4'-P energy: -16.936
tors. eta vs tors. theta energy: -23.990
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: 4, replica: 4
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -260.560303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.560303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.575832 (E_RNA)
where:
Base-Base interactions energy: -153.254
where: short stacking energy: -90.784
Base-Backbone interact. energy: -0.180
local terms energy: -107.141914
where:
bonds (distance) C4'-P energy: -25.346
bonds (distance) P-C4' energy: -23.278
flat angles C4'-P-C4' energy: -25.039
flat angles P-C4'-P energy: -12.682
tors. eta vs tors. theta energy: -20.797
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: 5
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -267.573115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.573115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.626762 (E_RNA)
where:
Base-Base interactions energy: -160.067
where: short stacking energy: -85.219
Base-Backbone interact. energy: -0.011
local terms energy: -107.548931
where:
bonds (distance) C4'-P energy: -21.464
bonds (distance) P-C4' energy: -23.272
flat angles C4'-P-C4' energy: -22.688
flat angles P-C4'-P energy: -16.034
tors. eta vs tors. theta energy: -24.092
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -231.105337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.105337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.177227 (E_RNA)
where:
Base-Base interactions energy: -134.682
where: short stacking energy: -66.028
Base-Backbone interact. energy: -0.249
local terms energy: -96.245705
where:
bonds (distance) C4'-P energy: -22.335
bonds (distance) P-C4' energy: -21.822
flat angles C4'-P-C4' energy: -22.320
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: -17.173
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -204.419180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.419180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.468410 (E_RNA)
where:
Base-Base interactions energy: -123.313
where: short stacking energy: -68.161
Base-Backbone interact. energy: -0.079
local terms energy: -81.076078
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -24.074
flat angles P-C4'-P energy: -16.300
tors. eta vs tors. theta energy: -11.705
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: 300
Temperature: 1.250000
Total energy: -238.179803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.179803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.341555 (E_RNA)
where:
Base-Base interactions energy: -141.878
where: short stacking energy: -80.590
Base-Backbone interact. energy: -1.327
local terms energy: -95.136998
where:
bonds (distance) C4'-P energy: -19.205
bonds (distance) P-C4' energy: -18.046
flat angles C4'-P-C4' energy: -18.236
flat angles P-C4'-P energy: -14.525
tors. eta vs tors. theta energy: -25.124
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: 9, replica: 8
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -212.864054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.864054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.930488 (E_RNA)
where:
Base-Base interactions energy: -123.714
where: short stacking energy: -63.210
Base-Backbone interact. energy: -0.027
local terms energy: -89.190060
where:
bonds (distance) C4'-P energy: -22.282
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -24.166
flat angles P-C4'-P energy: -13.707
tors. eta vs tors. theta energy: -12.128
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -209.088085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.088085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.226634 (E_RNA)
where:
Base-Base interactions energy: -132.208
where: short stacking energy: -66.090
Base-Backbone interact. energy: 1.247
local terms energy: -78.264825
where:
bonds (distance) C4'-P energy: -13.215
bonds (distance) P-C4' energy: -18.239
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -11.897
tors. eta vs tors. theta energy: -18.546
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: 1, replica: 9
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -294.454405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.454405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.527657 (E_RNA)
where:
Base-Base interactions energy: -176.027
where: short stacking energy: -94.297
Base-Backbone interact. energy: -0.036
local terms energy: -118.464240
where:
bonds (distance) C4'-P energy: -19.214
bonds (distance) P-C4' energy: -27.384
flat angles C4'-P-C4' energy: -24.193
flat angles P-C4'-P energy: -18.458
tors. eta vs tors. theta energy: -29.215
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: 301
Temperature: 0.950000
Total energy: -270.171749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.171749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.171749 (E_RNA)
where:
Base-Base interactions energy: -153.697
where: short stacking energy: -89.510
Base-Backbone interact. energy: -0.023
local terms energy: -116.452051
where:
bonds (distance) C4'-P energy: -26.417
bonds (distance) P-C4' energy: -25.136
flat angles C4'-P-C4' energy: -21.297
flat angles P-C4'-P energy: -16.981
tors. eta vs tors. theta energy: -26.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -265.095992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.095992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.799999 (E_RNA)
where:
Base-Base interactions energy: -167.942
where: short stacking energy: -89.733
Base-Backbone interact. energy: -0.305
local terms energy: -98.552921
where:
bonds (distance) C4'-P energy: -25.671
bonds (distance) P-C4' energy: -18.586
flat angles C4'-P-C4' energy: -19.740
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: -26.046
Dist. restrs. and SS energy: 1.704 (S_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: 301
Temperature: 1.050000
Total energy: -289.510251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.510251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.554059 (E_RNA)
where:
Base-Base interactions energy: -172.276
where: short stacking energy: -98.265
Base-Backbone interact. energy: -0.191
local terms energy: -117.087299
where:
bonds (distance) C4'-P energy: -20.931
bonds (distance) P-C4' energy: -25.772
flat angles C4'-P-C4' energy: -22.702
flat angles P-C4'-P energy: -18.516
tors. eta vs tors. theta energy: -29.166
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: 4
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -249.661591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.661591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.000312 (E_RNA)
where:
Base-Base interactions energy: -153.742
where: short stacking energy: -77.627
Base-Backbone interact. energy: -0.195
local terms energy: -97.063579
where:
bonds (distance) C4'-P energy: -19.367
bonds (distance) P-C4' energy: -23.811
flat angles C4'-P-C4' energy: -18.956
flat angles P-C4'-P energy: -13.485
tors. eta vs tors. theta energy: -21.444
Dist. restrs. and SS energy: 1.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -221.011195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.011195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.090694 (E_RNA)
where:
Base-Base interactions energy: -142.103
where: short stacking energy: -75.506
Base-Backbone interact. energy: -0.026
local terms energy: -78.962144
where:
bonds (distance) C4'-P energy: -17.424
bonds (distance) P-C4' energy: -20.762
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -13.483
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: 2
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -214.563029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.563029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.602451 (E_RNA)
where:
Base-Base interactions energy: -137.401
where: short stacking energy: -72.027
Base-Backbone interact. energy: 1.042
local terms energy: -78.243687
where:
bonds (distance) C4'-P energy: -17.217
bonds (distance) P-C4' energy: -15.143
flat angles C4'-P-C4' energy: -17.238
flat angles P-C4'-P energy: -15.663
tors. eta vs tors. theta energy: -12.983
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: 301
Temperature: 1.250000
Total energy: -207.860763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.860763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.007775 (E_RNA)
where:
Base-Base interactions energy: -130.246
where: short stacking energy: -73.552
Base-Backbone interact. energy: 0.174
local terms energy: -77.935190
where:
bonds (distance) C4'-P energy: -13.152
bonds (distance) P-C4' energy: -24.287
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -14.360
Dist. restrs. and SS energy: 0.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -208.980995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.980995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.053097 (E_RNA)
where:
Base-Base interactions energy: -128.698
where: short stacking energy: -62.405
Base-Backbone interact. energy: 0.044
local terms energy: -80.398943
where:
bonds (distance) C4'-P energy: -20.175
bonds (distance) P-C4' energy: -17.828
flat angles C4'-P-C4' energy: -17.630
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -14.657
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: 1
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -189.451524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.451524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.710282 (E_RNA)
where:
Base-Base interactions energy: -112.687
where: short stacking energy: -50.595
Base-Backbone interact. energy: -0.245
local terms energy: -76.778376
where:
bonds (distance) C4'-P energy: -22.563
bonds (distance) P-C4' energy: -19.231
flat angles C4'-P-C4' energy: -17.355
flat angles P-C4'-P energy: -7.850
tors. eta vs tors. theta energy: -9.780
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: 9
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -293.130286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.130286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.177419 (E_RNA)
where:
Base-Base interactions energy: -183.339
where: short stacking energy: -99.532
Base-Backbone interact. energy: -0.050
local terms energy: -109.788808
where:
bonds (distance) C4'-P energy: -22.290
bonds (distance) P-C4' energy: -24.435
flat angles C4'-P-C4' energy: -23.085
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -27.553
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: 2, replica: 3
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -257.685114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.685114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.700823 (E_RNA)
where:
Base-Base interactions energy: -160.149
where: short stacking energy: -92.887
Base-Backbone interact. energy: 0.353
local terms energy: -97.904432
where:
bonds (distance) C4'-P energy: -19.510
bonds (distance) P-C4' energy: -24.808
flat angles C4'-P-C4' energy: -21.107
flat angles P-C4'-P energy: -12.919
tors. eta vs tors. theta energy: -19.561
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: 302
Temperature: 1.000000
Total energy: -296.329931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.329931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.420648 (E_RNA)
where:
Base-Base interactions energy: -175.472
where: short stacking energy: -106.539
Base-Backbone interact. energy: 0.366
local terms energy: -121.314800
where:
bonds (distance) C4'-P energy: -23.071
bonds (distance) P-C4' energy: -22.263
flat angles C4'-P-C4' energy: -22.139
flat angles P-C4'-P energy: -19.362
tors. eta vs tors. theta energy: -34.480
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: 302
Temperature: 1.050000
Total energy: -257.891011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.891011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.906353 (E_RNA)
where:
Base-Base interactions energy: -157.077
where: short stacking energy: -83.311
Base-Backbone interact. energy: -0.110
local terms energy: -100.719588
where:
bonds (distance) C4'-P energy: -19.352
bonds (distance) P-C4' energy: -25.206
flat angles C4'-P-C4' energy: -20.356
flat angles P-C4'-P energy: -15.508
tors. eta vs tors. theta energy: -20.299
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: 4
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -239.662414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.662414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.731288 (E_RNA)
where:
Base-Base interactions energy: -143.814
where: short stacking energy: -69.358
Base-Backbone interact. energy: -0.040
local terms energy: -95.877154
where:
bonds (distance) C4'-P energy: -21.412
bonds (distance) P-C4' energy: -23.970
flat angles C4'-P-C4' energy: -17.872
flat angles P-C4'-P energy: -16.269
tors. eta vs tors. theta energy: -16.355
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: 6
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -230.814266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.814266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.815703 (E_RNA)
where:
Base-Base interactions energy: -148.100
where: short stacking energy: -79.395
Base-Backbone interact. energy: -0.059
local terms energy: -82.657568
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -12.632
flat angles C4'-P-C4' energy: -22.927
flat angles P-C4'-P energy: -13.632
tors. eta vs tors. theta energy: -17.179
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: 302
Temperature: 1.200000
Total energy: -222.319521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.319521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.162991 (E_RNA)
where:
Base-Base interactions energy: -137.861
where: short stacking energy: -67.804
Base-Backbone interact. energy: -0.291
local terms energy: -85.010245
where:
bonds (distance) C4'-P energy: -25.666
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -21.439
flat angles P-C4'-P energy: -13.756
tors. eta vs tors. theta energy: -10.194
Dist. restrs. and SS energy: 0.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -233.731055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.731055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.738121 (E_RNA)
where:
Base-Base interactions energy: -142.829
where: short stacking energy: -78.625
Base-Backbone interact. energy: -0.053
local terms energy: -90.855368
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -21.762
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -15.597
tors. eta vs tors. theta energy: -24.277
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: 302
Temperature: 1.300000
Total energy: -214.043775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.043775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.469341 (E_RNA)
where:
Base-Base interactions energy: -123.114
where: short stacking energy: -57.218
Base-Backbone interact. energy: -0.281
local terms energy: -91.074381
where:
bonds (distance) C4'-P energy: -17.980
bonds (distance) P-C4' energy: -19.666
flat angles C4'-P-C4' energy: -23.719
flat angles P-C4'-P energy: -16.693
tors. eta vs tors. theta energy: -13.017
Dist. restrs. and SS energy: 0.426 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -192.244340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.244340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.287053 (E_RNA)
where:
Base-Base interactions energy: -120.141
where: short stacking energy: -58.891
Base-Backbone interact. energy: -0.267
local terms energy: -71.878459
where:
bonds (distance) C4'-P energy: -13.016
bonds (distance) P-C4' energy: -20.070
flat angles C4'-P-C4' energy: -23.334
flat angles P-C4'-P energy: -6.096
tors. eta vs tors. theta energy: -9.363
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: 9
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -283.138364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.138364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.129133 (E_RNA)
where:
Base-Base interactions energy: -171.152
where: short stacking energy: -95.697
Base-Backbone interact. energy: -0.096
local terms energy: -113.881314
where:
bonds (distance) C4'-P energy: -26.410
bonds (distance) P-C4' energy: -23.271
flat angles C4'-P-C4' energy: -21.362
flat angles P-C4'-P energy: -17.477
tors. eta vs tors. theta energy: -25.361
Dist. restrs. and SS energy: 1.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -310.828642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.828642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.840488 (E_RNA)
where:
Base-Base interactions energy: -188.715
where: short stacking energy: -117.866
Base-Backbone interact. energy: -0.149
local terms energy: -121.976824
where:
bonds (distance) C4'-P energy: -21.252
bonds (distance) P-C4' energy: -23.469
flat angles C4'-P-C4' energy: -26.523
flat angles P-C4'-P energy: -15.255
tors. eta vs tors. theta energy: -35.478
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: 303
Temperature: 1.000000
Total energy: -271.915870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.915870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.036691 (E_RNA)
where:
Base-Base interactions energy: -155.597
where: short stacking energy: -93.418
Base-Backbone interact. energy: -0.017
local terms energy: -116.422896
where:
bonds (distance) C4'-P energy: -19.284
bonds (distance) P-C4' energy: -23.281
flat angles C4'-P-C4' energy: -24.756
flat angles P-C4'-P energy: -22.262
tors. eta vs tors. theta energy: -26.840
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: 5
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -273.784089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.784089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.784089 (E_RNA)
where:
Base-Base interactions energy: -175.265
where: short stacking energy: -97.348
Base-Backbone interact. energy: -0.002
local terms energy: -98.517114
where:
bonds (distance) C4'-P energy: -19.193
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -23.176
flat angles P-C4'-P energy: -13.121
tors. eta vs tors. theta energy: -28.924
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -246.326820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.326820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.462474 (E_RNA)
where:
Base-Base interactions energy: -153.189
where: short stacking energy: -72.086
Base-Backbone interact. energy: -0.068
local terms energy: -93.205620
where:
bonds (distance) C4'-P energy: -17.828
bonds (distance) P-C4' energy: -17.697
flat angles C4'-P-C4' energy: -24.098
flat angles P-C4'-P energy: -14.862
tors. eta vs tors. theta energy: -18.720
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: 6
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -257.266375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.266375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.307919 (E_RNA)
where:
Base-Base interactions energy: -159.318
where: short stacking energy: -90.546
Base-Backbone interact. energy: -0.079
local terms energy: -97.911483
where:
bonds (distance) C4'-P energy: -22.601
bonds (distance) P-C4' energy: -18.179
flat angles C4'-P-C4' energy: -21.227
flat angles P-C4'-P energy: -16.696
tors. eta vs tors. theta energy: -19.210
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: 8
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -225.079145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.079145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.218911 (E_RNA)
where:
Base-Base interactions energy: -134.291
where: short stacking energy: -69.334
Base-Backbone interact. energy: 0.382
local terms energy: -91.310248
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -19.867
flat angles C4'-P-C4' energy: -24.857
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -17.880
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: 10
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -212.534606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.534606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.065147 (E_RNA)
where:
Base-Base interactions energy: -128.188
where: short stacking energy: -63.314
Base-Backbone interact. energy: 0.256
local terms energy: -86.132705
where:
bonds (distance) C4'-P energy: -15.728
bonds (distance) P-C4' energy: -14.950
flat angles C4'-P-C4' energy: -20.233
flat angles P-C4'-P energy: -15.394
tors. eta vs tors. theta energy: -19.828
Dist. restrs. and SS energy: 1.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -204.872460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.872460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.926151 (E_RNA)
where:
Base-Base interactions energy: -125.739
where: short stacking energy: -64.408
Base-Backbone interact. energy: -0.714
local terms energy: -78.473841
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -13.365
flat angles C4'-P-C4' energy: -20.801
flat angles P-C4'-P energy: -16.971
tors. eta vs tors. theta energy: -13.404
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: 1
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -196.280206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.280206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.340759 (E_RNA)
where:
Base-Base interactions energy: -121.615
where: short stacking energy: -59.493
Base-Backbone interact. energy: -0.103
local terms energy: -74.622994
where:
bonds (distance) C4'-P energy: -15.397
bonds (distance) P-C4' energy: -20.905
flat angles C4'-P-C4' energy: -20.106
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -8.398
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: 7
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -293.126070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.126070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.212837 (E_RNA)
where:
Base-Base interactions energy: -180.130
where: short stacking energy: -106.058
Base-Backbone interact. energy: -0.981
local terms energy: -112.101544
where:
bonds (distance) C4'-P energy: -23.149
bonds (distance) P-C4' energy: -18.884
flat angles C4'-P-C4' energy: -24.639
flat angles P-C4'-P energy: -15.079
tors. eta vs tors. theta energy: -30.350
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: 9
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -269.669344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.669344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.756160 (E_RNA)
where:
Base-Base interactions energy: -157.976
where: short stacking energy: -80.919
Base-Backbone interact. energy: -0.282
local terms energy: -111.498208
where:
bonds (distance) C4'-P energy: -23.326
bonds (distance) P-C4' energy: -22.857
flat angles C4'-P-C4' energy: -24.755
flat angles P-C4'-P energy: -15.724
tors. eta vs tors. theta energy: -24.836
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: 5
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -286.836766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.836766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.273207 (E_RNA)
where:
Base-Base interactions energy: -180.271
where: short stacking energy: -102.963
Base-Backbone interact. energy: -0.003
local terms energy: -107.998890
where:
bonds (distance) C4'-P energy: -17.818
bonds (distance) P-C4' energy: -20.403
flat angles C4'-P-C4' energy: -23.988
flat angles P-C4'-P energy: -17.774
tors. eta vs tors. theta energy: -28.016
Dist. restrs. and SS energy: 1.436 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -277.269142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.269142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.334708 (E_RNA)
where:
Base-Base interactions energy: -164.828
where: short stacking energy: -96.183
Base-Backbone interact. energy: -0.290
local terms energy: -112.217033
where:
bonds (distance) C4'-P energy: -21.044
bonds (distance) P-C4' energy: -20.602
flat angles C4'-P-C4' energy: -25.606
flat angles P-C4'-P energy: -16.431
tors. eta vs tors. theta energy: -28.534
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: 6
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -259.738941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.738941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.550321 (E_RNA)
where:
Base-Base interactions energy: -165.651
where: short stacking energy: -90.732
Base-Backbone interact. energy: -0.005
local terms energy: -94.894364
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -19.604
flat angles C4'-P-C4' energy: -21.352
flat angles P-C4'-P energy: -15.328
tors. eta vs tors. theta energy: -24.380
Dist. restrs. and SS energy: 0.811 (S_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: 304
Temperature: 1.150000
Total energy: -227.350386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.350386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.449492 (E_RNA)
where:
Base-Base interactions energy: -141.963
where: short stacking energy: -71.493
Base-Backbone interact. energy: -0.265
local terms energy: -85.221096
where:
bonds (distance) C4'-P energy: -17.253
bonds (distance) P-C4' energy: -22.182
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -14.329
tors. eta vs tors. theta energy: -14.483
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: 10
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -222.606428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.606428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.745642 (E_RNA)
where:
Base-Base interactions energy: -132.005
where: short stacking energy: -67.138
Base-Backbone interact. energy: -0.340
local terms energy: -90.400646
where:
bonds (distance) C4'-P energy: -20.948
bonds (distance) P-C4' energy: -21.929
flat angles C4'-P-C4' energy: -17.818
flat angles P-C4'-P energy: -13.215
tors. eta vs tors. theta energy: -16.491
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: 8, replica: 8
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -219.146640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.146640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.298397 (E_RNA)
where:
Base-Base interactions energy: -135.044
where: short stacking energy: -65.005
Base-Backbone interact. energy: -0.323
local terms energy: -83.931051
where:
bonds (distance) C4'-P energy: -22.262
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -21.383
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -16.309
Dist. restrs. and SS energy: 0.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -229.642087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.642087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.654582 (E_RNA)
where:
Base-Base interactions energy: -149.014
where: short stacking energy: -84.319
Base-Backbone interact. energy: 0.346
local terms energy: -80.986193
where:
bonds (distance) C4'-P energy: -19.405
bonds (distance) P-C4' energy: -19.781
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -17.756
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: 1
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -200.028819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.028819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.576939 (E_RNA)
where:
Base-Base interactions energy: -122.093
where: short stacking energy: -61.127
Base-Backbone interact. energy: -0.057
local terms energy: -78.426034
where:
bonds (distance) C4'-P energy: -18.770
bonds (distance) P-C4' energy: -20.706
flat angles C4'-P-C4' energy: -15.223
flat angles P-C4'-P energy: -14.959
tors. eta vs tors. theta energy: -8.768
Dist. restrs. and SS energy: 0.548 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -301.951457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.951457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.133212 (E_RNA)
where:
Base-Base interactions energy: -184.168
where: short stacking energy: -114.160
Base-Backbone interact. energy: -0.016
local terms energy: -117.949260
where:
bonds (distance) C4'-P energy: -23.053
bonds (distance) P-C4' energy: -23.426
flat angles C4'-P-C4' energy: -25.839
flat angles P-C4'-P energy: -16.954
tors. eta vs tors. theta energy: -28.677
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: 5
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -308.232260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.232260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.316692 (E_RNA)
where:
Base-Base interactions energy: -182.041
where: short stacking energy: -109.776
Base-Backbone interact. energy: -0.022
local terms energy: -126.254101
where:
bonds (distance) C4'-P energy: -21.987
bonds (distance) P-C4' energy: -25.585
flat angles C4'-P-C4' energy: -25.372
flat angles P-C4'-P energy: -19.111
tors. eta vs tors. theta energy: -34.199
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: 9
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -281.586004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.586004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.280467 (E_RNA)
where:
Base-Base interactions energy: -176.583
where: short stacking energy: -100.325
Base-Backbone interact. energy: -0.091
local terms energy: -106.606925
where:
bonds (distance) C4'-P energy: -23.879
bonds (distance) P-C4' energy: -21.219
flat angles C4'-P-C4' energy: -21.367
flat angles P-C4'-P energy: -14.729
tors. eta vs tors. theta energy: -25.414
Dist. restrs. and SS energy: 1.694 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -258.468754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.468754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.758111 (E_RNA)
where:
Base-Base interactions energy: -160.347
where: short stacking energy: -90.566
Base-Backbone interact. energy: 0.243
local terms energy: -98.654549
where:
bonds (distance) C4'-P energy: -17.132
bonds (distance) P-C4' energy: -19.167
flat angles C4'-P-C4' energy: -20.552
flat angles P-C4'-P energy: -17.385
tors. eta vs tors. theta energy: -24.419
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: 5, replica: 6
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -246.937983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.937983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.939141 (E_RNA)
where:
Base-Base interactions energy: -146.135
where: short stacking energy: -80.073
Base-Backbone interact. energy: -0.081
local terms energy: -100.723256
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -25.023
flat angles C4'-P-C4' energy: -25.582
flat angles P-C4'-P energy: -15.172
tors. eta vs tors. theta energy: -19.359
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -226.829951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.829951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.831639 (E_RNA)
where:
Base-Base interactions energy: -142.235
where: short stacking energy: -70.050
Base-Backbone interact. energy: -0.567
local terms energy: -84.029801
where:
bonds (distance) C4'-P energy: -11.223
bonds (distance) P-C4' energy: -20.765
flat angles C4'-P-C4' energy: -22.136
flat angles P-C4'-P energy: -13.788
tors. eta vs tors. theta energy: -16.117
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: 305
Temperature: 1.200000
Total energy: -218.857564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.857564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.211124 (E_RNA)
where:
Base-Base interactions energy: -136.923
where: short stacking energy: -58.544
Base-Backbone interact. energy: 0.514
local terms energy: -82.802304
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -21.687
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: -16.709
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: 8, replica: 8
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -210.928567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.928567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.940794 (E_RNA)
where:
Base-Base interactions energy: -138.198
where: short stacking energy: -64.982
Base-Backbone interact. energy: -0.131
local terms energy: -72.612112
where:
bonds (distance) C4'-P energy: -20.166
bonds (distance) P-C4' energy: -17.354
flat angles C4'-P-C4' energy: -11.777
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -10.982
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: 2
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -214.506459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.506459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.597675 (E_RNA)
where:
Base-Base interactions energy: -129.769
where: short stacking energy: -63.125
Base-Backbone interact. energy: -0.043
local terms energy: -84.785257
where:
bonds (distance) C4'-P energy: -19.502
bonds (distance) P-C4' energy: -23.277
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -15.851
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: 1
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -192.923094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.923094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.005793 (E_RNA)
where:
Base-Base interactions energy: -118.740
where: short stacking energy: -55.757
Base-Backbone interact. energy: -0.170
local terms energy: -74.095669
where:
bonds (distance) C4'-P energy: -13.989
bonds (distance) P-C4' energy: -21.214
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -11.468
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: 7
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -276.655209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.655209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.871074 (E_RNA)
where:
Base-Base interactions energy: -179.131
where: short stacking energy: -82.862
Base-Backbone interact. energy: 1.218
local terms energy: -98.958558
where:
bonds (distance) C4'-P energy: -20.597
bonds (distance) P-C4' energy: -23.872
flat angles C4'-P-C4' energy: -25.046
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -16.180
Dist. restrs. and SS energy: 0.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -294.848330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.848330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.940985 (E_RNA)
where:
Base-Base interactions energy: -182.487
where: short stacking energy: -113.743
Base-Backbone interact. energy: -0.001
local terms energy: -112.453339
where:
bonds (distance) C4'-P energy: -20.335
bonds (distance) P-C4' energy: -20.720
flat angles C4'-P-C4' energy: -24.759
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -33.510
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: 9
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -273.736135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.736135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.736135 (E_RNA)
where:
Base-Base interactions energy: -169.581
where: short stacking energy: -91.880
Base-Backbone interact. energy: -0.187
local terms energy: -103.968208
where:
bonds (distance) C4'-P energy: -21.212
bonds (distance) P-C4' energy: -19.506
flat angles C4'-P-C4' energy: -23.558
flat angles P-C4'-P energy: -15.587
tors. eta vs tors. theta energy: -24.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -277.550058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.550058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.582584 (E_RNA)
where:
Base-Base interactions energy: -177.475
where: short stacking energy: -96.448
Base-Backbone interact. energy: -0.061
local terms energy: -100.047301
where:
bonds (distance) C4'-P energy: -20.367
bonds (distance) P-C4' energy: -19.361
flat angles C4'-P-C4' energy: -18.412
flat angles P-C4'-P energy: -11.796
tors. eta vs tors. theta energy: -30.111
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: 4
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -235.069400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.069400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.242584 (E_RNA)
where:
Base-Base interactions energy: -141.787
where: short stacking energy: -75.239
Base-Backbone interact. energy: -0.112
local terms energy: -93.344326
where:
bonds (distance) C4'-P energy: -19.861
bonds (distance) P-C4' energy: -19.026
flat angles C4'-P-C4' energy: -22.203
flat angles P-C4'-P energy: -12.966
tors. eta vs tors. theta energy: -19.288
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: 6
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -224.742892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.742892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.772259 (E_RNA)
where:
Base-Base interactions energy: -144.481
where: short stacking energy: -76.361
Base-Backbone interact. energy: 1.883
local terms energy: -82.174927
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -20.362
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -14.469
tors. eta vs tors. theta energy: -16.876
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: 306
Temperature: 1.200000
Total energy: -219.703395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.703395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.943750 (E_RNA)
where:
Base-Base interactions energy: -128.781
where: short stacking energy: -72.339
Base-Backbone interact. energy: -0.585
local terms energy: -90.578124
where:
bonds (distance) C4'-P energy: -17.864
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -20.116
flat angles P-C4'-P energy: -21.055
tors. eta vs tors. theta energy: -16.202
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: 8
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -217.209264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.209264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.684259 (E_RNA)
where:
Base-Base interactions energy: -136.088
where: short stacking energy: -61.536
Base-Backbone interact. energy: 1.017
local terms energy: -82.612782
where:
bonds (distance) C4'-P energy: -18.294
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -22.009
flat angles P-C4'-P energy: -13.786
tors. eta vs tors. theta energy: -12.574
Dist. restrs. and SS energy: 0.475 (S_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: 306
Temperature: 1.300000
Total energy: -226.274295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.274295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.520934 (E_RNA)
where:
Base-Base interactions energy: -140.725
where: short stacking energy: -70.842
Base-Backbone interact. energy: -1.534
local terms energy: -84.261892
where:
bonds (distance) C4'-P energy: -18.563
bonds (distance) P-C4' energy: -12.751
flat angles C4'-P-C4' energy: -18.272
flat angles P-C4'-P energy: -16.368
tors. eta vs tors. theta energy: -18.307
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: 1
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -201.024426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.024426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.883372 (E_RNA)
where:
Base-Base interactions energy: -126.870
where: short stacking energy: -55.500
Base-Backbone interact. energy: 0.030
local terms energy: -76.043748
where:
bonds (distance) C4'-P energy: -18.179
bonds (distance) P-C4' energy: -20.351
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -12.498
Dist. restrs. and SS energy: 1.859 (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: 7
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -297.085824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.085824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.182692 (E_RNA)
where:
Base-Base interactions energy: -185.539
where: short stacking energy: -106.606
Base-Backbone interact. energy: -0.015
local terms energy: -111.628822
where:
bonds (distance) C4'-P energy: -23.006
bonds (distance) P-C4' energy: -18.558
flat angles C4'-P-C4' energy: -21.750
flat angles P-C4'-P energy: -20.117
tors. eta vs tors. theta energy: -28.198
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: 9
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -305.075475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.075475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.338497 (E_RNA)
where:
Base-Base interactions energy: -184.041
where: short stacking energy: -94.953
Base-Backbone interact. energy: -0.132
local terms energy: -121.165158
where:
bonds (distance) C4'-P energy: -22.024
bonds (distance) P-C4' energy: -25.332
flat angles C4'-P-C4' energy: -25.457
flat angles P-C4'-P energy: -18.217
tors. eta vs tors. theta energy: -30.135
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: 3, replica: 5
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -286.018457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.018457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.932360 (E_RNA)
where:
Base-Base interactions energy: -174.106
where: short stacking energy: -103.482
Base-Backbone interact. energy: -0.075
local terms energy: -113.751944
where:
bonds (distance) C4'-P energy: -18.254
bonds (distance) P-C4' energy: -18.779
flat angles C4'-P-C4' energy: -23.450
flat angles P-C4'-P energy: -19.544
tors. eta vs tors. theta energy: -33.725
Dist. restrs. and SS energy: 1.914 (S_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: 307
Temperature: 1.050000
Total energy: -238.622749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.622749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.645650 (E_RNA)
where:
Base-Base interactions energy: -144.766
where: short stacking energy: -74.685
Base-Backbone interact. energy: -0.192
local terms energy: -93.688473
where:
bonds (distance) C4'-P energy: -17.123
bonds (distance) P-C4' energy: -23.222
flat angles C4'-P-C4' energy: -22.970
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -19.346
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -253.698191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.698191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.711961 (E_RNA)
where:
Base-Base interactions energy: -157.353
where: short stacking energy: -83.483
Base-Backbone interact. energy: -0.138
local terms energy: -96.220752
where:
bonds (distance) C4'-P energy: -21.367
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -24.528
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: -22.740
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: 10
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -221.079239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.079239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.116532 (E_RNA)
where:
Base-Base interactions energy: -132.055
where: short stacking energy: -66.877
Base-Backbone interact. energy: -0.596
local terms energy: -88.465569
where:
bonds (distance) C4'-P energy: -19.089
bonds (distance) P-C4' energy: -21.306
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -16.626
tors. eta vs tors. theta energy: -16.097
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: 6
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -228.277976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.277976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.457140 (E_RNA)
where:
Base-Base interactions energy: -133.758
where: short stacking energy: -71.499
Base-Backbone interact. energy: -0.168
local terms energy: -94.531239
where:
bonds (distance) C4'-P energy: -22.878
bonds (distance) P-C4' energy: -18.113
flat angles C4'-P-C4' energy: -21.634
flat angles P-C4'-P energy: -15.144
tors. eta vs tors. theta energy: -16.763
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: 2
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -230.604735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.604735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.830880 (E_RNA)
where:
Base-Base interactions energy: -140.767
where: short stacking energy: -77.823
Base-Backbone interact. energy: -0.117
local terms energy: -89.947495
where:
bonds (distance) C4'-P energy: -19.587
bonds (distance) P-C4' energy: -22.337
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -13.404
tors. eta vs tors. theta energy: -18.683
Dist. restrs. and SS energy: 0.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -226.168819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.168819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.399761 (E_RNA)
where:
Base-Base interactions energy: -138.380
where: short stacking energy: -65.228
Base-Backbone interact. energy: -0.165
local terms energy: -87.855388
where:
bonds (distance) C4'-P energy: -19.057
bonds (distance) P-C4' energy: -20.717
flat angles C4'-P-C4' energy: -20.356
flat angles P-C4'-P energy: -13.232
tors. eta vs tors. theta energy: -14.494
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: 10, replica: 1
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -204.241769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.241769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.278765 (E_RNA)
where:
Base-Base interactions energy: -127.540
where: short stacking energy: -62.484
Base-Backbone interact. energy: -0.270
local terms energy: -76.468721
where:
bonds (distance) C4'-P energy: -20.220
bonds (distance) P-C4' energy: -14.118
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -16.542
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: 9
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -318.144718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.144718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.503688 (E_RNA)
where:
Base-Base interactions energy: -196.436
where: short stacking energy: -110.248
Base-Backbone interact. energy: -0.006
local terms energy: -123.061996
where:
bonds (distance) C4'-P energy: -23.164
bonds (distance) P-C4' energy: -22.120
flat angles C4'-P-C4' energy: -24.805
flat angles P-C4'-P energy: -18.012
tors. eta vs tors. theta energy: -34.961
Dist. restrs. and SS energy: 1.359 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -299.449977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.449977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.522053 (E_RNA)
where:
Base-Base interactions energy: -185.474
where: short stacking energy: -114.988
Base-Backbone interact. energy: -1.583
local terms energy: -112.464879
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -24.651
flat angles C4'-P-C4' energy: -23.233
flat angles P-C4'-P energy: -14.233
tors. eta vs tors. theta energy: -32.905
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: 5
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -300.930053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.930053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.329783 (E_RNA)
where:
Base-Base interactions energy: -186.102
where: short stacking energy: -117.797
Base-Backbone interact. energy: -0.010
local terms energy: -117.217576
where:
bonds (distance) C4'-P energy: -23.555
bonds (distance) P-C4' energy: -22.573
flat angles C4'-P-C4' energy: -24.899
flat angles P-C4'-P energy: -12.180
tors. eta vs tors. theta energy: -34.010
Dist. restrs. and SS energy: 2.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -229.592970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.592970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.819604 (E_RNA)
where:
Base-Base interactions energy: -142.969
where: short stacking energy: -79.205
Base-Backbone interact. energy: 1.250
local terms energy: -88.099772
where:
bonds (distance) C4'-P energy: -20.699
bonds (distance) P-C4' energy: -20.807
flat angles C4'-P-C4' energy: -17.430
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -15.938
Dist. restrs. and SS energy: 0.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -246.094012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.094012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.098460 (E_RNA)
where:
Base-Base interactions energy: -145.996
where: short stacking energy: -74.940
Base-Backbone interact. energy: -0.016
local terms energy: -100.086482
where:
bonds (distance) C4'-P energy: -26.048
bonds (distance) P-C4' energy: -23.563
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -13.701
tors. eta vs tors. theta energy: -20.075
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: 3
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -231.203593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.203593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.283167 (E_RNA)
where:
Base-Base interactions energy: -133.416
where: short stacking energy: -72.963
Base-Backbone interact. energy: -0.606
local terms energy: -97.260874
where:
bonds (distance) C4'-P energy: -17.416
bonds (distance) P-C4' energy: -20.734
flat angles C4'-P-C4' energy: -24.078
flat angles P-C4'-P energy: -13.271
tors. eta vs tors. theta energy: -21.761
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -231.140348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.140348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.378256 (E_RNA)
where:
Base-Base interactions energy: -139.526
where: short stacking energy: -67.995
Base-Backbone interact. energy: -0.758
local terms energy: -91.094373
where:
bonds (distance) C4'-P energy: -20.936
bonds (distance) P-C4' energy: -23.288
flat angles C4'-P-C4' energy: -20.081
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -15.166
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: 8, replica: 6
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -220.630255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.630255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.982175 (E_RNA)
where:
Base-Base interactions energy: -138.564
where: short stacking energy: -74.393
Base-Backbone interact. energy: -0.697
local terms energy: -81.721950
where:
bonds (distance) C4'-P energy: -14.556
bonds (distance) P-C4' energy: -12.394
flat angles C4'-P-C4' energy: -20.066
flat angles P-C4'-P energy: -16.166
tors. eta vs tors. theta energy: -18.540
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: 9, replica: 1
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -212.525503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.525503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.646405 (E_RNA)
where:
Base-Base interactions energy: -125.985
where: short stacking energy: -63.584
Base-Backbone interact. energy: 2.724
local terms energy: -89.385105
where:
bonds (distance) C4'-P energy: -24.116
bonds (distance) P-C4' energy: -22.873
flat angles C4'-P-C4' energy: -20.249
flat angles P-C4'-P energy: -7.498
tors. eta vs tors. theta energy: -14.649
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: 10, replica: 8
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -212.554914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.554914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.755991 (E_RNA)
where:
Base-Base interactions energy: -134.093
where: short stacking energy: -57.650
Base-Backbone interact. energy: -0.341
local terms energy: -80.321906
where:
bonds (distance) C4'-P energy: -17.996
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -19.115
flat angles P-C4'-P energy: -13.000
tors. eta vs tors. theta energy: -18.081
Dist. restrs. and SS energy: 2.201 (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: 9
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -315.736943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.736943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.834936 (E_RNA)
where:
Base-Base interactions energy: -190.203
where: short stacking energy: -117.564
Base-Backbone interact. energy: -0.052
local terms energy: -125.579746
where:
bonds (distance) C4'-P energy: -22.906
bonds (distance) P-C4' energy: -23.171
flat angles C4'-P-C4' energy: -26.807
flat angles P-C4'-P energy: -17.856
tors. eta vs tors. theta energy: -34.839
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: 309
Temperature: 0.950000
Total energy: -324.635874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.635874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.643131 (E_RNA)
where:
Base-Base interactions energy: -193.727
where: short stacking energy: -114.684
Base-Backbone interact. energy: -0.535
local terms energy: -130.381186
where:
bonds (distance) C4'-P energy: -22.434
bonds (distance) P-C4' energy: -24.153
flat angles C4'-P-C4' energy: -25.267
flat angles P-C4'-P energy: -20.888
tors. eta vs tors. theta energy: -37.640
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: 5
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -270.376739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.376739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.406836 (E_RNA)
where:
Base-Base interactions energy: -161.228
where: short stacking energy: -88.731
Base-Backbone interact. energy: -0.281
local terms energy: -108.897212
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -25.064
flat angles C4'-P-C4' energy: -22.165
flat angles P-C4'-P energy: -18.759
tors. eta vs tors. theta energy: -27.908
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -262.165399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.165399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.165399 (E_RNA)
where:
Base-Base interactions energy: -164.829
where: short stacking energy: -93.456
Base-Backbone interact. energy: -0.105
local terms energy: -97.231526
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -19.264
flat angles C4'-P-C4' energy: -20.726
flat angles P-C4'-P energy: -16.988
tors. eta vs tors. theta energy: -26.014
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -258.334357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.334357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.334357 (E_RNA)
where:
Base-Base interactions energy: -159.755
where: short stacking energy: -89.187
Base-Backbone interact. energy: -0.318
local terms energy: -98.260853
where:
bonds (distance) C4'-P energy: -15.198
bonds (distance) P-C4' energy: -18.044
flat angles C4'-P-C4' energy: -21.519
flat angles P-C4'-P energy: -18.992
tors. eta vs tors. theta energy: -24.508
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -241.903476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.903476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.963952 (E_RNA)
where:
Base-Base interactions energy: -149.153
where: short stacking energy: -83.264
Base-Backbone interact. energy: -0.006
local terms energy: -92.805244
where:
bonds (distance) C4'-P energy: -21.252
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -22.141
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: -24.526
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: 3
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -220.498781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.498781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.221072 (E_RNA)
where:
Base-Base interactions energy: -132.591
where: short stacking energy: -64.967
Base-Backbone interact. energy: 1.474
local terms energy: -90.104652
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -22.462
flat angles C4'-P-C4' energy: -21.760
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -19.716
Dist. restrs. and SS energy: 0.722 (S_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: 309
Temperature: 1.250000
Total energy: -212.932026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.932026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.950242 (E_RNA)
where:
Base-Base interactions energy: -134.786
where: short stacking energy: -68.351
Base-Backbone interact. energy: -0.034
local terms energy: -78.129939
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -23.546
flat angles C4'-P-C4' energy: -18.443
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -11.165
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: 6
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -208.270019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.270019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.270019 (E_RNA)
where:
Base-Base interactions energy: -127.384
where: short stacking energy: -61.923
Base-Backbone interact. energy: -0.395
local terms energy: -80.490683
where:
bonds (distance) C4'-P energy: -17.463
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -21.242
flat angles P-C4'-P energy: -13.979
tors. eta vs tors. theta energy: -15.211
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -202.527531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.527531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.527531 (E_RNA)
where:
Base-Base interactions energy: -122.736
where: short stacking energy: -55.734
Base-Backbone interact. energy: -0.384
local terms energy: -79.407976
where:
bonds (distance) C4'-P energy: -17.010
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -21.016
flat angles P-C4'-P energy: -13.404
tors. eta vs tors. theta energy: -12.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -293.230263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.230263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.266611 (E_RNA)
where:
Base-Base interactions energy: -180.278
where: short stacking energy: -101.183
Base-Backbone interact. energy: -0.041
local terms energy: -112.946958
where:
bonds (distance) C4'-P energy: -22.548
bonds (distance) P-C4' energy: -20.568
flat angles C4'-P-C4' energy: -22.942
flat angles P-C4'-P energy: -18.562
tors. eta vs tors. theta energy: -28.326
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: 310
Temperature: 0.950000
Total energy: -305.736135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.736135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.971902 (E_RNA)
where:
Base-Base interactions energy: -185.328
where: short stacking energy: -95.802
Base-Backbone interact. energy: -0.002
local terms energy: -120.642320
where:
bonds (distance) C4'-P energy: -21.074
bonds (distance) P-C4' energy: -23.073
flat angles C4'-P-C4' energy: -23.029
flat angles P-C4'-P energy: -17.401
tors. eta vs tors. theta energy: -36.065
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: 3, replica: 5
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -280.679830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.679830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.893336 (E_RNA)
where:
Base-Base interactions energy: -179.782
where: short stacking energy: -101.962
Base-Backbone interact. energy: -0.075
local terms energy: -101.036872
where:
bonds (distance) C4'-P energy: -20.257
bonds (distance) P-C4' energy: -17.702
flat angles C4'-P-C4' energy: -17.478
flat angles P-C4'-P energy: -14.826
tors. eta vs tors. theta energy: -30.774
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: 4, replica: 10
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -260.335471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.335471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.533994 (E_RNA)
where:
Base-Base interactions energy: -159.189
where: short stacking energy: -85.104
Base-Backbone interact. energy: -0.085
local terms energy: -103.260163
where:
bonds (distance) C4'-P energy: -22.965
bonds (distance) P-C4' energy: -23.530
flat angles C4'-P-C4' energy: -20.233
flat angles P-C4'-P energy: -16.833
tors. eta vs tors. theta energy: -19.699
Dist. restrs. and SS energy: 2.199 (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: 2
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -262.887558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.887558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.887558 (E_RNA)
where:
Base-Base interactions energy: -167.462
where: short stacking energy: -88.284
Base-Backbone interact. energy: -0.025
local terms energy: -95.400418
where:
bonds (distance) C4'-P energy: -16.842
bonds (distance) P-C4' energy: -20.767
flat angles C4'-P-C4' energy: -23.889
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -23.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -242.809524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.809524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.051319 (E_RNA)
where:
Base-Base interactions energy: -145.113
where: short stacking energy: -82.689
Base-Backbone interact. energy: -0.092
local terms energy: -97.846384
where:
bonds (distance) C4'-P energy: -18.318
bonds (distance) P-C4' energy: -19.687
flat angles C4'-P-C4' energy: -20.738
flat angles P-C4'-P energy: -19.352
tors. eta vs tors. theta energy: -19.752
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: 7, replica: 1
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -229.725185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.725185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.817602 (E_RNA)
where:
Base-Base interactions energy: -136.544
where: short stacking energy: -76.984
Base-Backbone interact. energy: -0.226
local terms energy: -93.047486
where:
bonds (distance) C4'-P energy: -21.195
bonds (distance) P-C4' energy: -20.374
flat angles C4'-P-C4' energy: -24.178
flat angles P-C4'-P energy: -12.161
tors. eta vs tors. theta energy: -15.140
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: 3
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -217.685183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.685183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.809842 (E_RNA)
where:
Base-Base interactions energy: -129.342
where: short stacking energy: -65.046
Base-Backbone interact. energy: -1.208
local terms energy: -87.259566
where:
bonds (distance) C4'-P energy: -20.452
bonds (distance) P-C4' energy: -19.417
flat angles C4'-P-C4' energy: -18.974
flat angles P-C4'-P energy: -16.406
tors. eta vs tors. theta energy: -12.010
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: 8
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -213.627672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.627672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.916069 (E_RNA)
where:
Base-Base interactions energy: -130.014
where: short stacking energy: -69.157
Base-Backbone interact. energy: -0.326
local terms energy: -83.576678
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -23.377
flat angles C4'-P-C4' energy: -17.048
flat angles P-C4'-P energy: -15.899
tors. eta vs tors. theta energy: -12.945
Dist. restrs. and SS energy: 0.288 (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: 6
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -196.960786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.960786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.041634 (E_RNA)
where:
Base-Base interactions energy: -120.380
where: short stacking energy: -62.749
Base-Backbone interact. energy: -0.076
local terms energy: -77.585746
where:
bonds (distance) C4'-P energy: -18.476
bonds (distance) P-C4' energy: -20.135
flat angles C4'-P-C4' energy: -22.412
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: -8.605
Dist. restrs. and SS energy: 1.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -303.586613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.586613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.669494 (E_RNA)
where:
Base-Base interactions energy: -187.481
where: short stacking energy: -109.274
Base-Backbone interact. energy: -0.018
local terms energy: -116.169750
where:
bonds (distance) C4'-P energy: -17.232
bonds (distance) P-C4' energy: -23.613
flat angles C4'-P-C4' energy: -23.871
flat angles P-C4'-P energy: -18.056
tors. eta vs tors. theta energy: -33.399
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: 311
Temperature: 0.950000
Total energy: -295.743030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.743030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.859609 (E_RNA)
where:
Base-Base interactions energy: -180.540
where: short stacking energy: -97.957
Base-Backbone interact. energy: -0.084
local terms energy: -115.236046
where:
bonds (distance) C4'-P energy: -21.893
bonds (distance) P-C4' energy: -23.271
flat angles C4'-P-C4' energy: -23.814
flat angles P-C4'-P energy: -13.835
tors. eta vs tors. theta energy: -32.422
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: 3, replica: 9
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -292.450156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.450156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.561807 (E_RNA)
where:
Base-Base interactions energy: -186.854
where: short stacking energy: -110.953
Base-Backbone interact. energy: -0.050
local terms energy: -105.658221
where:
bonds (distance) C4'-P energy: -20.774
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -19.928
flat angles P-C4'-P energy: -15.046
tors. eta vs tors. theta energy: -30.228
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: 4, replica: 2
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -271.586471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.586471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.586471 (E_RNA)
where:
Base-Base interactions energy: -161.869
where: short stacking energy: -84.217
Base-Backbone interact. energy: -0.074
local terms energy: -109.643788
where:
bonds (distance) C4'-P energy: -18.505
bonds (distance) P-C4' energy: -19.757
flat angles C4'-P-C4' energy: -24.886
flat angles P-C4'-P energy: -19.010
tors. eta vs tors. theta energy: -27.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -267.168474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.168474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.168474 (E_RNA)
where:
Base-Base interactions energy: -161.420
where: short stacking energy: -87.669
Base-Backbone interact. energy: -0.091
local terms energy: -105.657601
where:
bonds (distance) C4'-P energy: -21.128
bonds (distance) P-C4' energy: -20.625
flat angles C4'-P-C4' energy: -21.906
flat angles P-C4'-P energy: -17.102
tors. eta vs tors. theta energy: -24.898
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -239.533006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.533006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.640951 (E_RNA)
where:
Base-Base interactions energy: -142.256
where: short stacking energy: -63.338
Base-Backbone interact. energy: -0.182
local terms energy: -97.203007
where:
bonds (distance) C4'-P energy: -20.571
bonds (distance) P-C4' energy: -22.807
flat angles C4'-P-C4' energy: -20.373
flat angles P-C4'-P energy: -17.798
tors. eta vs tors. theta energy: -15.654
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: 1
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -239.529372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.529372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.168618 (E_RNA)
where:
Base-Base interactions energy: -153.204
where: short stacking energy: -77.334
Base-Backbone interact. energy: -0.694
local terms energy: -86.270025
where:
bonds (distance) C4'-P energy: -22.744
bonds (distance) P-C4' energy: -14.320
flat angles C4'-P-C4' energy: -20.939
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -16.775
Dist. restrs. and SS energy: 0.639 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -236.904710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.904710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.120378 (E_RNA)
where:
Base-Base interactions energy: -140.148
where: short stacking energy: -68.587
Base-Backbone interact. energy: -0.064
local terms energy: -96.908326
where:
bonds (distance) C4'-P energy: -19.445
bonds (distance) P-C4' energy: -24.045
flat angles C4'-P-C4' energy: -20.089
flat angles P-C4'-P energy: -14.447
tors. eta vs tors. theta energy: -18.882
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: 9, replica: 3
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -216.482087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.482087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.488020 (E_RNA)
where:
Base-Base interactions energy: -139.748
where: short stacking energy: -65.412
Base-Backbone interact. energy: -0.166
local terms energy: -76.574249
where:
bonds (distance) C4'-P energy: -19.714
bonds (distance) P-C4' energy: -16.699
flat angles C4'-P-C4' energy: -22.046
flat angles P-C4'-P energy: -4.710
tors. eta vs tors. theta energy: -13.406
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: 6
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -203.433907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.433907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.528822 (E_RNA)
where:
Base-Base interactions energy: -122.782
where: short stacking energy: -51.295
Base-Backbone interact. energy: -0.587
local terms energy: -80.159715
where:
bonds (distance) C4'-P energy: -21.599
bonds (distance) P-C4' energy: -21.454
flat angles C4'-P-C4' energy: -17.554
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -7.739
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: 312
Temperature: 0.900000
Total energy: -305.417841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.417841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.457803 (E_RNA)
where:
Base-Base interactions energy: -189.317
where: short stacking energy: -112.664
Base-Backbone interact. energy: -0.003
local terms energy: -116.137664
where:
bonds (distance) C4'-P energy: -20.212
bonds (distance) P-C4' energy: -22.887
flat angles C4'-P-C4' energy: -23.618
flat angles P-C4'-P energy: -16.111
tors. eta vs tors. theta energy: -33.311
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: 5
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -297.159127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.159127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.321550 (E_RNA)
where:
Base-Base interactions energy: -183.761
where: short stacking energy: -106.643
Base-Backbone interact. energy: -0.021
local terms energy: -113.539287
where:
bonds (distance) C4'-P energy: -18.449
bonds (distance) P-C4' energy: -23.522
flat angles C4'-P-C4' energy: -23.446
flat angles P-C4'-P energy: -18.168
tors. eta vs tors. theta energy: -29.954
Dist. restrs. and SS energy: 0.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -261.723095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.723095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.723095 (E_RNA)
where:
Base-Base interactions energy: -161.720
where: short stacking energy: -86.362
Base-Backbone interact. energy: -0.589
local terms energy: -99.414520
where:
bonds (distance) C4'-P energy: -20.010
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -20.232
flat angles P-C4'-P energy: -15.948
tors. eta vs tors. theta energy: -26.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -282.292798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.292798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.464479 (E_RNA)
where:
Base-Base interactions energy: -174.827
where: short stacking energy: -103.014
Base-Backbone interact. energy: -0.030
local terms energy: -107.607787
where:
bonds (distance) C4'-P energy: -24.944
bonds (distance) P-C4' energy: -21.850
flat angles C4'-P-C4' energy: -18.587
flat angles P-C4'-P energy: -15.396
tors. eta vs tors. theta energy: -26.830
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: 5, replica: 10
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -250.664706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.664706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.664706 (E_RNA)
where:
Base-Base interactions energy: -143.577
where: short stacking energy: -71.634
Base-Backbone interact. energy: -0.694
local terms energy: -106.393282
where:
bonds (distance) C4'-P energy: -23.242
bonds (distance) P-C4' energy: -23.829
flat angles C4'-P-C4' energy: -22.391
flat angles P-C4'-P energy: -16.855
tors. eta vs tors. theta energy: -20.076
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -247.625812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.625812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.636415 (E_RNA)
where:
Base-Base interactions energy: -151.290
where: short stacking energy: -84.159
Base-Backbone interact. energy: -0.093
local terms energy: -96.253102
where:
bonds (distance) C4'-P energy: -18.919
bonds (distance) P-C4' energy: -18.217
flat angles C4'-P-C4' energy: -23.973
flat angles P-C4'-P energy: -12.787
tors. eta vs tors. theta energy: -22.357
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -227.609175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.609175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.864805 (E_RNA)
where:
Base-Base interactions energy: -139.792
where: short stacking energy: -80.366
Base-Backbone interact. energy: -0.024
local terms energy: -88.049252
where:
bonds (distance) C4'-P energy: -18.522
bonds (distance) P-C4' energy: -20.308
flat angles C4'-P-C4' energy: -18.016
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: -23.172
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: 8, replica: 1
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -232.835450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.835450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.387856 (E_RNA)
where:
Base-Base interactions energy: -135.924
where: short stacking energy: -70.284
Base-Backbone interact. energy: -0.300
local terms energy: -98.163598
where:
bonds (distance) C4'-P energy: -19.239
bonds (distance) P-C4' energy: -25.392
flat angles C4'-P-C4' energy: -24.250
flat angles P-C4'-P energy: -14.805
tors. eta vs tors. theta energy: -14.478
Dist. restrs. and SS energy: 1.552 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -201.803691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.803691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.013581 (E_RNA)
where:
Base-Base interactions energy: -126.539
where: short stacking energy: -66.825
Base-Backbone interact. energy: 2.130
local terms energy: -77.604244
where:
bonds (distance) C4'-P energy: -16.569
bonds (distance) P-C4' energy: -17.515
flat angles C4'-P-C4' energy: -18.357
flat angles P-C4'-P energy: -12.944
tors. eta vs tors. theta energy: -12.220
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: 10, replica: 3
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -207.660527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.660527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.758202 (E_RNA)
where:
Base-Base interactions energy: -126.786
where: short stacking energy: -68.566
Base-Backbone interact. energy: -0.173
local terms energy: -80.799806
where:
bonds (distance) C4'-P energy: -22.675
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -19.936
flat angles P-C4'-P energy: -6.435
tors. eta vs tors. theta energy: -16.659
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: 7
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -298.721281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.721281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.286947 (E_RNA)
where:
Base-Base interactions energy: -184.936
where: short stacking energy: -95.848
Base-Backbone interact. energy: 0.229
local terms energy: -114.579214
where:
bonds (distance) C4'-P energy: -21.902
bonds (distance) P-C4' energy: -24.361
flat angles C4'-P-C4' energy: -21.696
flat angles P-C4'-P energy: -16.326
tors. eta vs tors. theta energy: -30.293
Dist. restrs. and SS energy: 0.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -284.500668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.500668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.943623 (E_RNA)
where:
Base-Base interactions energy: -177.636
where: short stacking energy: -95.475
Base-Backbone interact. energy: -0.748
local terms energy: -106.559422
where:
bonds (distance) C4'-P energy: -17.959
bonds (distance) P-C4' energy: -23.725
flat angles C4'-P-C4' energy: -21.443
flat angles P-C4'-P energy: -12.751
tors. eta vs tors. theta energy: -30.681
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: 3, replica: 2
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -283.755671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.755671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.932890 (E_RNA)
where:
Base-Base interactions energy: -173.824
where: short stacking energy: -94.096
Base-Backbone interact. energy: -0.861
local terms energy: -109.247856
where:
bonds (distance) C4'-P energy: -22.806
bonds (distance) P-C4' energy: -18.164
flat angles C4'-P-C4' energy: -21.884
flat angles P-C4'-P energy: -20.484
tors. eta vs tors. theta energy: -25.909
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: 4, replica: 10
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -261.958850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.958850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.997223 (E_RNA)
where:
Base-Base interactions energy: -152.698
where: short stacking energy: -85.444
Base-Backbone interact. energy: -0.052
local terms energy: -109.246805
where:
bonds (distance) C4'-P energy: -26.234
bonds (distance) P-C4' energy: -22.319
flat angles C4'-P-C4' energy: -22.514
flat angles P-C4'-P energy: -18.471
tors. eta vs tors. theta energy: -19.709
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: 9
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -244.828269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.828269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.948535 (E_RNA)
where:
Base-Base interactions energy: -147.107
where: short stacking energy: -69.658
Base-Backbone interact. energy: 1.051
local terms energy: -98.892093
where:
bonds (distance) C4'-P energy: -16.664
bonds (distance) P-C4' energy: -24.281
flat angles C4'-P-C4' energy: -23.772
flat angles P-C4'-P energy: -11.713
tors. eta vs tors. theta energy: -22.463
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: 8
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -244.221544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.221544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.265823 (E_RNA)
where:
Base-Base interactions energy: -153.438
where: short stacking energy: -82.642
Base-Backbone interact. energy: -0.366
local terms energy: -90.462720
where:
bonds (distance) C4'-P energy: -16.915
bonds (distance) P-C4' energy: -19.006
flat angles C4'-P-C4' energy: -21.267
flat angles P-C4'-P energy: -15.732
tors. eta vs tors. theta energy: -17.542
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -229.457287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.457287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.508373 (E_RNA)
where:
Base-Base interactions energy: -137.395
where: short stacking energy: -68.807
Base-Backbone interact. energy: 0.810
local terms energy: -92.923419
where:
bonds (distance) C4'-P energy: -21.055
bonds (distance) P-C4' energy: -21.349
flat angles C4'-P-C4' energy: -18.888
flat angles P-C4'-P energy: -15.308
tors. eta vs tors. theta energy: -16.324
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: 1
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -231.776512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.776512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.206760 (E_RNA)
where:
Base-Base interactions energy: -142.611
where: short stacking energy: -74.559
Base-Backbone interact. energy: -0.027
local terms energy: -90.568758
where:
bonds (distance) C4'-P energy: -21.975
bonds (distance) P-C4' energy: -18.617
flat angles C4'-P-C4' energy: -18.762
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -19.726
Dist. restrs. and SS energy: 1.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -209.353719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.353719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.602496 (E_RNA)
where:
Base-Base interactions energy: -127.377
where: short stacking energy: -67.706
Base-Backbone interact. energy: 0.031
local terms energy: -82.256581
where:
bonds (distance) C4'-P energy: -17.640
bonds (distance) P-C4' energy: -21.538
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -13.675
tors. eta vs tors. theta energy: -11.578
Dist. restrs. and SS energy: 0.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -213.203760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.203760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.881501 (E_RNA)
where:
Base-Base interactions energy: -128.962
where: short stacking energy: -61.444
Base-Backbone interact. energy: 0.342
local terms energy: -86.262018
where:
bonds (distance) C4'-P energy: -17.736
bonds (distance) P-C4' energy: -21.563
flat angles C4'-P-C4' energy: -23.065
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -11.896
Dist. restrs. and SS energy: 1.678 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -304.790728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.790728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.534941 (E_RNA)
where:
Base-Base interactions energy: -183.086
where: short stacking energy: -103.350
Base-Backbone interact. energy: -0.020
local terms energy: -122.428169
where:
bonds (distance) C4'-P energy: -24.917
bonds (distance) P-C4' energy: -26.762
flat angles C4'-P-C4' energy: -23.737
flat angles P-C4'-P energy: -18.896
tors. eta vs tors. theta energy: -28.116
Dist. restrs. and SS energy: 0.744 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -288.740063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.740063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.033198 (E_RNA)
where:
Base-Base interactions energy: -183.502
where: short stacking energy: -100.759
Base-Backbone interact. energy: 0.582
local terms energy: -108.112856
where:
bonds (distance) C4'-P energy: -19.980
bonds (distance) P-C4' energy: -25.420
flat angles C4'-P-C4' energy: -21.076
flat angles P-C4'-P energy: -15.684
tors. eta vs tors. theta energy: -25.953
Dist. restrs. and SS energy: 2.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -284.322338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.322338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.566933 (E_RNA)
where:
Base-Base interactions energy: -170.154
where: short stacking energy: -99.675
Base-Backbone interact. energy: 0.520
local terms energy: -114.932436
where:
bonds (distance) C4'-P energy: -19.132
bonds (distance) P-C4' energy: -19.509
flat angles C4'-P-C4' energy: -25.400
flat angles P-C4'-P energy: -18.094
tors. eta vs tors. theta energy: -32.798
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: 10
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -264.092285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.092285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.130875 (E_RNA)
where:
Base-Base interactions energy: -153.570
where: short stacking energy: -85.536
Base-Backbone interact. energy: 0.091
local terms energy: -110.651719
where:
bonds (distance) C4'-P energy: -22.994
bonds (distance) P-C4' energy: -17.031
flat angles C4'-P-C4' energy: -24.921
flat angles P-C4'-P energy: -17.651
tors. eta vs tors. theta energy: -28.054
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: 8
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -251.731300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.731300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.798269 (E_RNA)
where:
Base-Base interactions energy: -155.784
where: short stacking energy: -91.366
Base-Backbone interact. energy: 0.704
local terms energy: -96.719137
where:
bonds (distance) C4'-P energy: -18.187
bonds (distance) P-C4' energy: -22.165
flat angles C4'-P-C4' energy: -21.168
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: -21.462
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: 314
Temperature: 1.150000
Total energy: -244.347281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.347281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.559291 (E_RNA)
where:
Base-Base interactions energy: -154.212
where: short stacking energy: -93.281
Base-Backbone interact. energy: -0.617
local terms energy: -89.729791
where:
bonds (distance) C4'-P energy: -20.534
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -17.709
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -23.037
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: 7, replica: 1
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -233.586045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.586045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.636465 (E_RNA)
where:
Base-Base interactions energy: -143.982
where: short stacking energy: -82.492
Base-Backbone interact. energy: -0.135
local terms energy: -89.519362
where:
bonds (distance) C4'-P energy: -20.670
bonds (distance) P-C4' energy: -21.256
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -18.708
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: 4
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -209.800509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.800509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.803070 (E_RNA)
where:
Base-Base interactions energy: -130.107
where: short stacking energy: -68.189
Base-Backbone interact. energy: -0.023
local terms energy: -79.672895
where:
bonds (distance) C4'-P energy: -18.549
bonds (distance) P-C4' energy: -12.404
flat angles C4'-P-C4' energy: -20.344
flat angles P-C4'-P energy: -11.480
tors. eta vs tors. theta energy: -16.896
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: 3
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -226.488232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.488232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.608610 (E_RNA)
where:
Base-Base interactions energy: -145.989
where: short stacking energy: -67.330
Base-Backbone interact. energy: 2.625
local terms energy: -85.245282
where:
bonds (distance) C4'-P energy: -16.606
bonds (distance) P-C4' energy: -21.021
flat angles C4'-P-C4' energy: -18.760
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -16.828
Dist. restrs. and SS energy: 2.120 (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: 6
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -203.502019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.502019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.652864 (E_RNA)
where:
Base-Base interactions energy: -119.960
where: short stacking energy: -68.944
Base-Backbone interact. energy: -0.522
local terms energy: -83.171435
where:
bonds (distance) C4'-P energy: -16.750
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -21.718
flat angles P-C4'-P energy: -12.901
tors. eta vs tors. theta energy: -16.469
Dist. restrs. and SS energy: 0.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -301.412832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.412832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.476081 (E_RNA)
where:
Base-Base interactions energy: -183.646
where: short stacking energy: -112.752
Base-Backbone interact. energy: -0.131
local terms energy: -117.698822
where:
bonds (distance) C4'-P energy: -24.455
bonds (distance) P-C4' energy: -23.407
flat angles C4'-P-C4' energy: -24.999
flat angles P-C4'-P energy: -13.777
tors. eta vs tors. theta energy: -31.061
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: 315
Temperature: 0.950000
Total energy: -287.617695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.617695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.427904 (E_RNA)
where:
Base-Base interactions energy: -173.318
where: short stacking energy: -93.560
Base-Backbone interact. energy: -0.041
local terms energy: -115.068220
where:
bonds (distance) C4'-P energy: -22.647
bonds (distance) P-C4' energy: -23.713
flat angles C4'-P-C4' energy: -22.691
flat angles P-C4'-P energy: -15.807
tors. eta vs tors. theta energy: -30.210
Dist. restrs. and SS energy: 0.810 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -256.062185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.062185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.084860 (E_RNA)
where:
Base-Base interactions energy: -152.611
where: short stacking energy: -83.410
Base-Backbone interact. energy: -0.103
local terms energy: -103.370556
where:
bonds (distance) C4'-P energy: -19.157
bonds (distance) P-C4' energy: -17.863
flat angles C4'-P-C4' energy: -24.129
flat angles P-C4'-P energy: -18.464
tors. eta vs tors. theta energy: -23.758
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: 315
Temperature: 1.050000
Total energy: -251.327347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.327347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.358836 (E_RNA)
where:
Base-Base interactions energy: -150.238
where: short stacking energy: -86.372
Base-Backbone interact. energy: -0.317
local terms energy: -100.803895
where:
bonds (distance) C4'-P energy: -19.536
bonds (distance) P-C4' energy: -25.533
flat angles C4'-P-C4' energy: -19.966
flat angles P-C4'-P energy: -15.806
tors. eta vs tors. theta energy: -19.962
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: 10
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -244.251851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.251851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.273443 (E_RNA)
where:
Base-Base interactions energy: -148.602
where: short stacking energy: -73.236
Base-Backbone interact. energy: -0.072
local terms energy: -95.599056
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -23.221
flat angles C4'-P-C4' energy: -19.799
flat angles P-C4'-P energy: -16.262
tors. eta vs tors. theta energy: -19.718
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -232.510463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.510463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.555163 (E_RNA)
where:
Base-Base interactions energy: -140.704
where: short stacking energy: -70.688
Base-Backbone interact. energy: -0.107
local terms energy: -91.743605
where:
bonds (distance) C4'-P energy: -22.985
bonds (distance) P-C4' energy: -20.273
flat angles C4'-P-C4' energy: -19.615
flat angles P-C4'-P energy: -14.340
tors. eta vs tors. theta energy: -14.530
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -229.399799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.399799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.611542 (E_RNA)
where:
Base-Base interactions energy: -147.144
where: short stacking energy: -78.728
Base-Backbone interact. energy: -0.102
local terms energy: -82.365385
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -20.259
flat angles C4'-P-C4' energy: -17.973
flat angles P-C4'-P energy: -15.355
tors. eta vs tors. theta energy: -15.489
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: 315
Temperature: 1.250000
Total energy: -233.209958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.209958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.157731 (E_RNA)
where:
Base-Base interactions energy: -138.889
where: short stacking energy: -70.319
Base-Backbone interact. energy: 0.356
local terms energy: -97.624910
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -23.680
flat angles C4'-P-C4' energy: -25.854
flat angles P-C4'-P energy: -14.136
tors. eta vs tors. theta energy: -19.551
Dist. restrs. and SS energy: 2.948 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -197.927571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.927571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.205753 (E_RNA)
where:
Base-Base interactions energy: -119.371
where: short stacking energy: -55.310
Base-Backbone interact. energy: 0.253
local terms energy: -79.088485
where:
bonds (distance) C4'-P energy: -15.636
bonds (distance) P-C4' energy: -20.047
flat angles C4'-P-C4' energy: -17.844
flat angles P-C4'-P energy: -14.449
tors. eta vs tors. theta energy: -11.113
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: 10, replica: 6
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -218.507562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.507562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.969042 (E_RNA)
where:
Base-Base interactions energy: -126.318
where: short stacking energy: -65.626
Base-Backbone interact. energy: -0.014
local terms energy: -92.636694
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -20.433
flat angles C4'-P-C4' energy: -22.654
flat angles P-C4'-P energy: -16.044
tors. eta vs tors. theta energy: -18.415
Dist. restrs. and SS energy: 0.461 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -305.508525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.508525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.645931 (E_RNA)
where:
Base-Base interactions energy: -187.308
where: short stacking energy: -96.339
Base-Backbone interact. energy: -0.157
local terms energy: -118.181039
where:
bonds (distance) C4'-P energy: -21.959
bonds (distance) P-C4' energy: -23.826
flat angles C4'-P-C4' energy: -27.916
flat angles P-C4'-P energy: -16.006
tors. eta vs tors. theta energy: -28.475
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: 316
Temperature: 0.950000
Total energy: -296.980750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.980750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.582328 (E_RNA)
where:
Base-Base interactions energy: -186.281
where: short stacking energy: -105.227
Base-Backbone interact. energy: -0.057
local terms energy: -112.243865
where:
bonds (distance) C4'-P energy: -18.489
bonds (distance) P-C4' energy: -24.268
flat angles C4'-P-C4' energy: -25.546
flat angles P-C4'-P energy: -13.182
tors. eta vs tors. theta energy: -30.759
Dist. restrs. and SS energy: 1.602 (S_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: 316
Temperature: 1.000000
Total energy: -254.079720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.079720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.451386 (E_RNA)
where:
Base-Base interactions energy: -156.449
where: short stacking energy: -88.155
Base-Backbone interact. energy: -0.002
local terms energy: -97.999873
where:
bonds (distance) C4'-P energy: -20.401
bonds (distance) P-C4' energy: -21.806
flat angles C4'-P-C4' energy: -24.184
flat angles P-C4'-P energy: -13.977
tors. eta vs tors. theta energy: -17.631
Dist. restrs. and SS energy: 0.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -248.427388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.427388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.472157 (E_RNA)
where:
Base-Base interactions energy: -152.403
where: short stacking energy: -75.040
Base-Backbone interact. energy: -0.146
local terms energy: -95.924052
where:
bonds (distance) C4'-P energy: -20.245
bonds (distance) P-C4' energy: -23.328
flat angles C4'-P-C4' energy: -22.624
flat angles P-C4'-P energy: -12.938
tors. eta vs tors. theta energy: -16.789
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: 1
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -251.616867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.616867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.624507 (E_RNA)
where:
Base-Base interactions energy: -148.506
where: short stacking energy: -78.853
Base-Backbone interact. energy: -0.219
local terms energy: -102.899884
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -22.570
flat angles C4'-P-C4' energy: -24.895
flat angles P-C4'-P energy: -17.092
tors. eta vs tors. theta energy: -23.533
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: 316
Temperature: 1.150000
Total energy: -236.706974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.706974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.724799 (E_RNA)
where:
Base-Base interactions energy: -136.926
where: short stacking energy: -74.395
Base-Backbone interact. energy: -0.067
local terms energy: -99.731729
where:
bonds (distance) C4'-P energy: -23.541
bonds (distance) P-C4' energy: -23.396
flat angles C4'-P-C4' energy: -20.190
flat angles P-C4'-P energy: -14.812
tors. eta vs tors. theta energy: -17.793
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -224.591437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.591437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.629491 (E_RNA)
where:
Base-Base interactions energy: -130.908
where: short stacking energy: -73.457
Base-Backbone interact. energy: -0.258
local terms energy: -93.463092
where:
bonds (distance) C4'-P energy: -22.120
bonds (distance) P-C4' energy: -21.070
flat angles C4'-P-C4' energy: -19.440
flat angles P-C4'-P energy: -12.953
tors. eta vs tors. theta energy: -17.880
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: 316
Temperature: 1.250000
Total energy: -216.734193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.734193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.756168 (E_RNA)
where:
Base-Base interactions energy: -130.553
where: short stacking energy: -68.260
Base-Backbone interact. energy: -0.113
local terms energy: -86.090382
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -25.589
flat angles C4'-P-C4' energy: -18.867
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -15.196
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: 316
Temperature: 1.300000
Total energy: -203.733531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.733531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.747564 (E_RNA)
where:
Base-Base interactions energy: -119.952
where: short stacking energy: -54.847
Base-Backbone interact. energy: 0.244
local terms energy: -84.040211
where:
bonds (distance) C4'-P energy: -18.162
bonds (distance) P-C4' energy: -24.046
flat angles C4'-P-C4' energy: -17.691
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -11.582
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: 316
Temperature: 1.350000
Total energy: -196.371897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.371897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.411200 (E_RNA)
where:
Base-Base interactions energy: -116.198
where: short stacking energy: -59.935
Base-Backbone interact. energy: -0.114
local terms energy: -80.098602
where:
bonds (distance) C4'-P energy: -19.483
bonds (distance) P-C4' energy: -23.948
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -11.534
tors. eta vs tors. theta energy: -8.476
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: 5
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -280.133779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.133779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.305769 (E_RNA)
where:
Base-Base interactions energy: -171.426
where: short stacking energy: -85.299
Base-Backbone interact. energy: -0.276
local terms energy: -108.603993
where:
bonds (distance) C4'-P energy: -22.492
bonds (distance) P-C4' energy: -25.453
flat angles C4'-P-C4' energy: -25.661
flat angles P-C4'-P energy: -15.514
tors. eta vs tors. theta energy: -19.484
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: 7
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -275.881764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.881764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.232587 (E_RNA)
where:
Base-Base interactions energy: -169.172
where: short stacking energy: -84.834
Base-Backbone interact. energy: -0.283
local terms energy: -107.777489
where:
bonds (distance) C4'-P energy: -17.595
bonds (distance) P-C4' energy: -22.859
flat angles C4'-P-C4' energy: -22.492
flat angles P-C4'-P energy: -18.366
tors. eta vs tors. theta energy: -26.465
Dist. restrs. and SS energy: 1.351 (S_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: 317
Temperature: 1.000000
Total energy: -260.608719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.608719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.061912 (E_RNA)
where:
Base-Base interactions energy: -158.351
where: short stacking energy: -89.326
Base-Backbone interact. energy: -0.305
local terms energy: -102.406724
where:
bonds (distance) C4'-P energy: -21.065
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -22.560
flat angles P-C4'-P energy: -20.184
tors. eta vs tors. theta energy: -23.089
Dist. restrs. and SS energy: 0.453 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -262.061883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.061883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.108267 (E_RNA)
where:
Base-Base interactions energy: -160.472
where: short stacking energy: -86.575
Base-Backbone interact. energy: -0.234
local terms energy: -103.402088
where:
bonds (distance) C4'-P energy: -20.753
bonds (distance) P-C4' energy: -21.007
flat angles C4'-P-C4' energy: -25.978
flat angles P-C4'-P energy: -13.710
tors. eta vs tors. theta energy: -21.955
Dist. restrs. and SS energy: 2.046 (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: 317
Temperature: 1.100000
Total energy: -251.422612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.422612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.519361 (E_RNA)
where:
Base-Base interactions energy: -154.611
where: short stacking energy: -79.132
Base-Backbone interact. energy: -0.257
local terms energy: -96.651790
where:
bonds (distance) C4'-P energy: -18.279
bonds (distance) P-C4' energy: -26.644
flat angles C4'-P-C4' energy: -19.174
flat angles P-C4'-P energy: -16.948
tors. eta vs tors. theta energy: -15.607
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: 3
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -238.288375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.288375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.379191 (E_RNA)
where:
Base-Base interactions energy: -150.426
where: short stacking energy: -79.576
Base-Backbone interact. energy: -0.181
local terms energy: -87.772277
where:
bonds (distance) C4'-P energy: -24.476
bonds (distance) P-C4' energy: -14.217
flat angles C4'-P-C4' energy: -22.331
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -16.652
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: 10
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -233.528717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.528717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.586440 (E_RNA)
where:
Base-Base interactions energy: -131.921
where: short stacking energy: -67.049
Base-Backbone interact. energy: -1.492
local terms energy: -100.173570
where:
bonds (distance) C4'-P energy: -23.163
bonds (distance) P-C4' energy: -24.798
flat angles C4'-P-C4' energy: -27.601
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -12.932
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -207.302631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.302631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.353497 (E_RNA)
where:
Base-Base interactions energy: -122.146
where: short stacking energy: -56.984
Base-Backbone interact. energy: -0.308
local terms energy: -84.899555
where:
bonds (distance) C4'-P energy: -19.310
bonds (distance) P-C4' energy: -18.838
flat angles C4'-P-C4' energy: -20.459
flat angles P-C4'-P energy: -13.496
tors. eta vs tors. theta energy: -12.796
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: 6
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -206.423001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.423001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.522568 (E_RNA)
where:
Base-Base interactions energy: -129.802
where: short stacking energy: -61.763
Base-Backbone interact. energy: -0.084
local terms energy: -76.636040
where:
bonds (distance) C4'-P energy: -15.857
bonds (distance) P-C4' energy: -18.642
flat angles C4'-P-C4' energy: -22.493
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -11.152
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: 10, replica: 4
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -198.220137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.220137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.310980 (E_RNA)
where:
Base-Base interactions energy: -123.076
where: short stacking energy: -50.617
Base-Backbone interact. energy: 1.420
local terms energy: -76.654226
where:
bonds (distance) C4'-P energy: -19.202
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -16.442
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -12.910
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: 1, replica: 7
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -299.453421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.453421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.465468 (E_RNA)
where:
Base-Base interactions energy: -190.026
where: short stacking energy: -104.238
Base-Backbone interact. energy: -0.042
local terms energy: -109.397300
where:
bonds (distance) C4'-P energy: -21.581
bonds (distance) P-C4' energy: -23.157
flat angles C4'-P-C4' energy: -24.671
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -27.993
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: 5
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -289.965037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.965037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.108982 (E_RNA)
where:
Base-Base interactions energy: -168.525
where: short stacking energy: -97.899
Base-Backbone interact. energy: 1.624
local terms energy: -123.208229
where:
bonds (distance) C4'-P energy: -22.264
bonds (distance) P-C4' energy: -23.156
flat angles C4'-P-C4' energy: -27.509
flat angles P-C4'-P energy: -18.408
tors. eta vs tors. theta energy: -31.872
Dist. restrs. and SS energy: 0.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -277.917908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.917908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.258117 (E_RNA)
where:
Base-Base interactions energy: -176.941
where: short stacking energy: -104.165
Base-Backbone interact. energy: -0.029
local terms energy: -101.288223
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -24.146
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -30.831
Dist. restrs. and SS energy: 0.340 (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: 1
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -274.256673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.256673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.489993 (E_RNA)
where:
Base-Base interactions energy: -173.662
where: short stacking energy: -106.347
Base-Backbone interact. energy: -0.019
local terms energy: -100.808620
where:
bonds (distance) C4'-P energy: -18.826
bonds (distance) P-C4' energy: -18.045
flat angles C4'-P-C4' energy: -22.560
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -30.446
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: 318
Temperature: 1.100000
Total energy: -249.017924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.017924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.044515 (E_RNA)
where:
Base-Base interactions energy: -155.855
where: short stacking energy: -86.084
Base-Backbone interact. energy: -0.085
local terms energy: -93.104726
where:
bonds (distance) C4'-P energy: -21.809
bonds (distance) P-C4' energy: -20.359
flat angles C4'-P-C4' energy: -18.717
flat angles P-C4'-P energy: -14.268
tors. eta vs tors. theta energy: -17.952
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -240.396969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.396969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.620969 (E_RNA)
where:
Base-Base interactions energy: -141.876
where: short stacking energy: -77.041
Base-Backbone interact. energy: 0.012
local terms energy: -98.756863
where:
bonds (distance) C4'-P energy: -17.761
bonds (distance) P-C4' energy: -21.959
flat angles C4'-P-C4' energy: -23.174
flat angles P-C4'-P energy: -17.572
tors. eta vs tors. theta energy: -18.291
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: 7, replica: 9
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -226.573514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.573514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.624035 (E_RNA)
where:
Base-Base interactions energy: -135.237
where: short stacking energy: -69.067
Base-Backbone interact. energy: -0.247
local terms energy: -91.139168
where:
bonds (distance) C4'-P energy: -21.613
bonds (distance) P-C4' energy: -17.110
flat angles C4'-P-C4' energy: -22.081
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -19.940
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: 10
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -223.939814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.939814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.969484 (E_RNA)
where:
Base-Base interactions energy: -148.123
where: short stacking energy: -80.100
Base-Backbone interact. energy: -1.065
local terms energy: -74.781394
where:
bonds (distance) C4'-P energy: -19.506
bonds (distance) P-C4' energy: -17.190
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -5.048
tors. eta vs tors. theta energy: -15.295
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: 9, replica: 4
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -199.409448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.409448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.462955 (E_RNA)
where:
Base-Base interactions energy: -121.486
where: short stacking energy: -63.504
Base-Backbone interact. energy: -0.121
local terms energy: -77.855962
where:
bonds (distance) C4'-P energy: -16.787
bonds (distance) P-C4' energy: -18.692
flat angles C4'-P-C4' energy: -20.368
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -11.190
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: 6
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -209.827520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.827520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.705171 (E_RNA)
where:
Base-Base interactions energy: -134.216
where: short stacking energy: -67.931
Base-Backbone interact. energy: 0.113
local terms energy: -76.602331
where:
bonds (distance) C4'-P energy: -19.189
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -22.535
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -6.627
Dist. restrs. and SS energy: 0.878 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -309.740756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.740756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.880043 (E_RNA)
where:
Base-Base interactions energy: -192.897
where: short stacking energy: -111.244
Base-Backbone interact. energy: -0.045
local terms energy: -116.938280
where:
bonds (distance) C4'-P energy: -22.526
bonds (distance) P-C4' energy: -19.200
flat angles C4'-P-C4' energy: -24.363
flat angles P-C4'-P energy: -13.948
tors. eta vs tors. theta energy: -36.902
Dist. restrs. and SS energy: 0.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -299.580939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.580939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.803739 (E_RNA)
where:
Base-Base interactions energy: -185.486
where: short stacking energy: -107.347
Base-Backbone interact. energy: -0.336
local terms energy: -113.981576
where:
bonds (distance) C4'-P energy: -22.725
bonds (distance) P-C4' energy: -21.519
flat angles C4'-P-C4' energy: -27.360
flat angles P-C4'-P energy: -13.503
tors. eta vs tors. theta energy: -28.875
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: 5
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -285.138979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.138979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.140888 (E_RNA)
where:
Base-Base interactions energy: -173.459
where: short stacking energy: -105.155
Base-Backbone interact. energy: -0.001
local terms energy: -111.680748
where:
bonds (distance) C4'-P energy: -22.509
bonds (distance) P-C4' energy: -25.509
flat angles C4'-P-C4' energy: -21.259
flat angles P-C4'-P energy: -12.015
tors. eta vs tors. theta energy: -30.389
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -251.088452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.088452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.181411 (E_RNA)
where:
Base-Base interactions energy: -154.601
where: short stacking energy: -92.270
Base-Backbone interact. energy: -0.197
local terms energy: -96.383820
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -14.534
flat angles C4'-P-C4' energy: -22.084
flat angles P-C4'-P energy: -17.680
tors. eta vs tors. theta energy: -29.159
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -243.780522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.780522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.947730 (E_RNA)
where:
Base-Base interactions energy: -150.913
where: short stacking energy: -80.484
Base-Backbone interact. energy: 0.322
local terms energy: -93.356633
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -20.820
flat angles C4'-P-C4' energy: -23.065
flat angles P-C4'-P energy: -14.056
tors. eta vs tors. theta energy: -18.111
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: 6, replica: 9
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -228.019877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.019877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.051622 (E_RNA)
where:
Base-Base interactions energy: -139.700
where: short stacking energy: -69.704
Base-Backbone interact. energy: -0.583
local terms energy: -87.768754
where:
bonds (distance) C4'-P energy: -20.013
bonds (distance) P-C4' energy: -24.092
flat angles C4'-P-C4' energy: -18.639
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: -13.008
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -201.865468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.865468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.963506 (E_RNA)
where:
Base-Base interactions energy: -116.101
where: short stacking energy: -52.239
Base-Backbone interact. energy: -0.315
local terms energy: -85.546756
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -20.073
flat angles C4'-P-C4' energy: -22.424
flat angles P-C4'-P energy: -14.912
tors. eta vs tors. theta energy: -11.895
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: 4
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -191.550514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.550514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.550514 (E_RNA)
where:
Base-Base interactions energy: -119.087
where: short stacking energy: -60.559
Base-Backbone interact. energy: -0.455
local terms energy: -72.008366
where:
bonds (distance) C4'-P energy: -19.620
bonds (distance) P-C4' energy: -19.287
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -8.146
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: 9, replica: 10
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -204.675714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.675714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.675809 (E_RNA)
where:
Base-Base interactions energy: -128.712
where: short stacking energy: -59.172
Base-Backbone interact. energy: 0.394
local terms energy: -76.357275
where:
bonds (distance) C4'-P energy: -17.578
bonds (distance) P-C4' energy: -22.322
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -13.827
tors. eta vs tors. theta energy: -5.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -195.923261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.923261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.952826 (E_RNA)
where:
Base-Base interactions energy: -115.696
where: short stacking energy: -58.431
Base-Backbone interact. energy: -0.287
local terms energy: -79.969950
where:
bonds (distance) C4'-P energy: -21.303
bonds (distance) P-C4' energy: -18.591
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -12.158
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: 1, replica: 7
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -309.402117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.402117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.503464 (E_RNA)
where:
Base-Base interactions energy: -194.858
where: short stacking energy: -110.195
Base-Backbone interact. energy: -0.026
local terms energy: -114.619123
where:
bonds (distance) C4'-P energy: -21.571
bonds (distance) P-C4' energy: -23.779
flat angles C4'-P-C4' energy: -23.771
flat angles P-C4'-P energy: -15.743
tors. eta vs tors. theta energy: -29.756
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -288.456867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.456867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.559872 (E_RNA)
where:
Base-Base interactions energy: -174.952
where: short stacking energy: -99.048
Base-Backbone interact. energy: -0.170
local terms energy: -113.437776
where:
bonds (distance) C4'-P energy: -18.080
bonds (distance) P-C4' energy: -25.222
flat angles C4'-P-C4' energy: -23.765
flat angles P-C4'-P energy: -18.324
tors. eta vs tors. theta energy: -28.047
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: 320
Temperature: 1.000000
Total energy: -262.543153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.543153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.555254 (E_RNA)
where:
Base-Base interactions energy: -163.426
where: short stacking energy: -79.571
Base-Backbone interact. energy: -0.645
local terms energy: -98.484139
where:
bonds (distance) C4'-P energy: -21.533
bonds (distance) P-C4' energy: -22.635
flat angles C4'-P-C4' energy: -22.163
flat angles P-C4'-P energy: -14.425
tors. eta vs tors. theta energy: -17.728
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: 5
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -238.945274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.945274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.989226 (E_RNA)
where:
Base-Base interactions energy: -148.582
where: short stacking energy: -78.352
Base-Backbone interact. energy: -0.019
local terms energy: -90.388425
where:
bonds (distance) C4'-P energy: -19.761
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -17.885
flat angles P-C4'-P energy: -14.867
tors. eta vs tors. theta energy: -21.293
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: 9
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -236.289010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.289010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.309740 (E_RNA)
where:
Base-Base interactions energy: -142.447
where: short stacking energy: -75.871
Base-Backbone interact. energy: -0.293
local terms energy: -93.570330
where:
bonds (distance) C4'-P energy: -15.219
bonds (distance) P-C4' energy: -21.227
flat angles C4'-P-C4' energy: -22.377
flat angles P-C4'-P energy: -14.606
tors. eta vs tors. theta energy: -20.141
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: 1
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -250.086961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.086961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.037171 (E_RNA)
where:
Base-Base interactions energy: -150.458
where: short stacking energy: -77.304
Base-Backbone interact. energy: -0.128
local terms energy: -100.451268
where:
bonds (distance) C4'-P energy: -19.301
bonds (distance) P-C4' energy: -21.356
flat angles C4'-P-C4' energy: -25.596
flat angles P-C4'-P energy: -12.830
tors. eta vs tors. theta energy: -21.369
Dist. restrs. and SS energy: 0.950 (S_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: 320
Temperature: 1.200000
Total energy: -232.820599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.820599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.948030 (E_RNA)
where:
Base-Base interactions energy: -145.459
where: short stacking energy: -82.291
Base-Backbone interact. energy: -0.000
local terms energy: -87.488990
where:
bonds (distance) C4'-P energy: -20.920
bonds (distance) P-C4' energy: -21.707
flat angles C4'-P-C4' energy: -18.368
flat angles P-C4'-P energy: -6.363
tors. eta vs tors. theta energy: -20.131
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: 8, replica: 4
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -208.146764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.146764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.282288 (E_RNA)
where:
Base-Base interactions energy: -125.778
where: short stacking energy: -66.024
Base-Backbone interact. energy: 0.222
local terms energy: -82.726330
where:
bonds (distance) C4'-P energy: -18.809
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -16.020
flat angles P-C4'-P energy: -18.462
tors. eta vs tors. theta energy: -11.240
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: 6
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -247.071955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.071955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.251664 (E_RNA)
where:
Base-Base interactions energy: -147.457
where: short stacking energy: -79.472
Base-Backbone interact. energy: -0.147
local terms energy: -99.648119
where:
bonds (distance) C4'-P energy: -18.001
bonds (distance) P-C4' energy: -25.576
flat angles C4'-P-C4' energy: -18.963
flat angles P-C4'-P energy: -16.721
tors. eta vs tors. theta energy: -20.387
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: 10, replica: 10
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -202.852171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.852171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.056193 (E_RNA)
where:
Base-Base interactions energy: -127.195
where: short stacking energy: -66.645
Base-Backbone interact. energy: -0.417
local terms energy: -75.443588
where:
bonds (distance) C4'-P energy: -17.449
bonds (distance) P-C4' energy: -21.195
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -11.312
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: 7
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -308.696179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.696179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.286260 (E_RNA)
where:
Base-Base interactions energy: -191.676
where: short stacking energy: -98.678
Base-Backbone interact. energy: -0.031
local terms energy: -118.579781
where:
bonds (distance) C4'-P energy: -23.411
bonds (distance) P-C4' energy: -24.966
flat angles C4'-P-C4' energy: -20.814
flat angles P-C4'-P energy: -20.598
tors. eta vs tors. theta energy: -28.791
Dist. restrs. and SS energy: 1.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -263.365301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.365301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.464849 (E_RNA)
where:
Base-Base interactions energy: -155.753
where: short stacking energy: -93.272
Base-Backbone interact. energy: -0.424
local terms energy: -107.287713
where:
bonds (distance) C4'-P energy: -17.997
bonds (distance) P-C4' energy: -25.128
flat angles C4'-P-C4' energy: -24.646
flat angles P-C4'-P energy: -18.265
tors. eta vs tors. theta energy: -21.250
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: 321
Temperature: 1.000000
Total energy: -251.665496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.665496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.762228 (E_RNA)
where:
Base-Base interactions energy: -147.325
where: short stacking energy: -69.928
Base-Backbone interact. energy: -0.141
local terms energy: -104.296359
where:
bonds (distance) C4'-P energy: -25.250
bonds (distance) P-C4' energy: -24.815
flat angles C4'-P-C4' energy: -26.326
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -14.811
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: 9
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -242.050763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.050763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.386440 (E_RNA)
where:
Base-Base interactions energy: -148.376
where: short stacking energy: -81.351
Base-Backbone interact. energy: -0.068
local terms energy: -93.942494
where:
bonds (distance) C4'-P energy: -20.300
bonds (distance) P-C4' energy: -23.750
flat angles C4'-P-C4' energy: -20.955
flat angles P-C4'-P energy: -12.151
tors. eta vs tors. theta energy: -16.786
Dist. restrs. and SS energy: 0.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -240.516199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.516199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.535111 (E_RNA)
where:
Base-Base interactions energy: -149.295
where: short stacking energy: -78.971
Base-Backbone interact. energy: -0.116
local terms energy: -91.124007
where:
bonds (distance) C4'-P energy: -18.588
bonds (distance) P-C4' energy: -19.917
flat angles C4'-P-C4' energy: -22.737
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -16.753
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: 2
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -228.513173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.513173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.606608 (E_RNA)
where:
Base-Base interactions energy: -144.915
where: short stacking energy: -70.652
Base-Backbone interact. energy: -0.057
local terms energy: -83.634611
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -20.833
flat angles C4'-P-C4' energy: -19.784
flat angles P-C4'-P energy: -15.762
tors. eta vs tors. theta energy: -12.031
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: 1
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -247.912304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.912304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.016016 (E_RNA)
where:
Base-Base interactions energy: -152.358
where: short stacking energy: -89.339
Base-Backbone interact. energy: -0.087
local terms energy: -95.571258
where:
bonds (distance) C4'-P energy: -18.097
bonds (distance) P-C4' energy: -16.465
flat angles C4'-P-C4' energy: -20.903
flat angles P-C4'-P energy: -16.402
tors. eta vs tors. theta energy: -23.705
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -224.856718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.856718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.960134 (E_RNA)
where:
Base-Base interactions energy: -137.694
where: short stacking energy: -65.639
Base-Backbone interact. energy: -0.009
local terms energy: -87.257364
where:
bonds (distance) C4'-P energy: -18.559
bonds (distance) P-C4' energy: -21.013
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -16.222
tors. eta vs tors. theta energy: -15.355
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: 321
Temperature: 1.300000
Total energy: -204.594226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.594226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.373134 (E_RNA)
where:
Base-Base interactions energy: -118.161
where: short stacking energy: -57.797
Base-Backbone interact. energy: -0.090
local terms energy: -89.122201
where:
bonds (distance) C4'-P energy: -17.691
bonds (distance) P-C4' energy: -24.962
flat angles C4'-P-C4' energy: -21.602
flat angles P-C4'-P energy: -12.629
tors. eta vs tors. theta energy: -12.237
Dist. restrs. and SS energy: 2.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -193.462474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.462474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.645656 (E_RNA)
where:
Base-Base interactions energy: -115.764
where: short stacking energy: -64.713
Base-Backbone interact. energy: -0.839
local terms energy: -77.042698
where:
bonds (distance) C4'-P energy: -17.160
bonds (distance) P-C4' energy: -21.226
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -14.149
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: 322
Temperature: 0.900000
Total energy: -303.546563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.546563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.649775 (E_RNA)
where:
Base-Base interactions energy: -187.229
where: short stacking energy: -107.776
Base-Backbone interact. energy: -0.005
local terms energy: -118.415877
where:
bonds (distance) C4'-P energy: -23.868
bonds (distance) P-C4' energy: -22.807
flat angles C4'-P-C4' energy: -25.373
flat angles P-C4'-P energy: -16.869
tors. eta vs tors. theta energy: -29.499
Dist. restrs. and SS energy: 2.103 (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: 3
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -278.812944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.812944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.812944 (E_RNA)
where:
Base-Base interactions energy: -162.309
where: short stacking energy: -95.494
Base-Backbone interact. energy: -0.796
local terms energy: -115.708025
where:
bonds (distance) C4'-P energy: -22.099
bonds (distance) P-C4' energy: -22.363
flat angles C4'-P-C4' energy: -25.597
flat angles P-C4'-P energy: -15.522
tors. eta vs tors. theta energy: -30.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -287.196112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.196112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.249681 (E_RNA)
where:
Base-Base interactions energy: -175.368
where: short stacking energy: -107.074
Base-Backbone interact. energy: -0.011
local terms energy: -111.871036
where:
bonds (distance) C4'-P energy: -13.608
bonds (distance) P-C4' energy: -22.347
flat angles C4'-P-C4' energy: -23.077
flat angles P-C4'-P energy: -20.795
tors. eta vs tors. theta energy: -32.043
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -242.674691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.674691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.680663 (E_RNA)
where:
Base-Base interactions energy: -144.513
where: short stacking energy: -76.860
Base-Backbone interact. energy: -0.494
local terms energy: -97.673498
where:
bonds (distance) C4'-P energy: -21.984
bonds (distance) P-C4' energy: -21.517
flat angles C4'-P-C4' energy: -24.584
flat angles P-C4'-P energy: -13.983
tors. eta vs tors. theta energy: -15.606
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: 322
Temperature: 1.100000
Total energy: -223.423468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.423468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.498188 (E_RNA)
where:
Base-Base interactions energy: -133.538
where: short stacking energy: -67.849
Base-Backbone interact. energy: -0.789
local terms energy: -89.170980
where:
bonds (distance) C4'-P energy: -18.572
bonds (distance) P-C4' energy: -20.647
flat angles C4'-P-C4' energy: -21.786
flat angles P-C4'-P energy: -14.654
tors. eta vs tors. theta energy: -13.512
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: 5
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -221.864240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.864240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.903949 (E_RNA)
where:
Base-Base interactions energy: -133.859
where: short stacking energy: -67.596
Base-Backbone interact. energy: -0.220
local terms energy: -87.825224
where:
bonds (distance) C4'-P energy: -18.080
bonds (distance) P-C4' energy: -22.518
flat angles C4'-P-C4' energy: -22.100
flat angles P-C4'-P energy: -13.109
tors. eta vs tors. theta energy: -12.019
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: 1
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -218.664861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.664861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.707398 (E_RNA)
where:
Base-Base interactions energy: -147.426
where: short stacking energy: -76.152
Base-Backbone interact. energy: -0.189
local terms energy: -71.093004
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -19.522
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -6.713
tors. eta vs tors. theta energy: -15.139
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: 6
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -222.062523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.062523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.095218 (E_RNA)
where:
Base-Base interactions energy: -141.500
where: short stacking energy: -75.689
Base-Backbone interact. energy: -0.576
local terms energy: -80.019103
where:
bonds (distance) C4'-P energy: -14.792
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -21.495
flat angles P-C4'-P energy: -6.618
tors. eta vs tors. theta energy: -18.694
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: 322
Temperature: 1.300000
Total energy: -201.079230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.079230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.926552 (E_RNA)
where:
Base-Base interactions energy: -124.049
where: short stacking energy: -66.241
Base-Backbone interact. energy: 1.289
local terms energy: -80.166487
where:
bonds (distance) C4'-P energy: -17.721
bonds (distance) P-C4' energy: -19.343
flat angles C4'-P-C4' energy: -18.482
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -14.963
Dist. restrs. and SS energy: 1.847 (S_DIST_RNA)
chem. 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: -206.417261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.417261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.455563 (E_RNA)
where:
Base-Base interactions energy: -124.840
where: short stacking energy: -61.289
Base-Backbone interact. energy: -0.139
local terms energy: -81.476248
where:
bonds (distance) C4'-P energy: -19.077
bonds (distance) P-C4' energy: -20.383
flat angles C4'-P-C4' energy: -19.684
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -12.417
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -302.366389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.366389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.349668 (E_RNA)
where:
Base-Base interactions energy: -188.253
where: short stacking energy: -99.423
Base-Backbone interact. energy: -1.198
local terms energy: -114.898583
where:
bonds (distance) C4'-P energy: -24.832
bonds (distance) P-C4' energy: -21.326
flat angles C4'-P-C4' energy: -24.602
flat angles P-C4'-P energy: -16.817
tors. eta vs tors. theta energy: -27.321
Dist. restrs. and SS energy: 1.983 (S_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: 323
Temperature: 0.950000
Total energy: -298.635813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.635813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.640808 (E_RNA)
where:
Base-Base interactions energy: -185.026
where: short stacking energy: -106.499
Base-Backbone interact. energy: -0.089
local terms energy: -113.525173
where:
bonds (distance) C4'-P energy: -24.318
bonds (distance) P-C4' energy: -21.042
flat angles C4'-P-C4' energy: -22.873
flat angles P-C4'-P energy: -16.459
tors. eta vs tors. theta energy: -28.833
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: 323
Temperature: 1.000000
Total energy: -262.285725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.285725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.921165 (E_RNA)
where:
Base-Base interactions energy: -154.859
where: short stacking energy: -83.429
Base-Backbone interact. energy: -0.673
local terms energy: -108.389029
where:
bonds (distance) C4'-P energy: -22.066
bonds (distance) P-C4' energy: -21.477
flat angles C4'-P-C4' energy: -22.347
flat angles P-C4'-P energy: -15.552
tors. eta vs tors. theta energy: -26.946
Dist. restrs. and SS energy: 1.635 (S_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: 323
Temperature: 1.050000
Total energy: -247.110772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.110772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.831082 (E_RNA)
where:
Base-Base interactions energy: -152.343
where: short stacking energy: -75.931
Base-Backbone interact. energy: 1.694
local terms energy: -97.182312
where:
bonds (distance) C4'-P energy: -18.825
bonds (distance) P-C4' energy: -20.502
flat angles C4'-P-C4' energy: -23.407
flat angles P-C4'-P energy: -15.748
tors. eta vs tors. theta energy: -18.699
Dist. restrs. and SS energy: 0.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -232.229393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.229393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.254588 (E_RNA)
where:
Base-Base interactions energy: -140.541
where: short stacking energy: -72.424
Base-Backbone interact. energy: -0.242
local terms energy: -91.471201
where:
bonds (distance) C4'-P energy: -23.027
bonds (distance) P-C4' energy: -23.099
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: -19.772
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: 323
Temperature: 1.150000
Total energy: -221.556569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.556569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.571969 (E_RNA)
where:
Base-Base interactions energy: -132.191
where: short stacking energy: -69.572
Base-Backbone interact. energy: -0.234
local terms energy: -89.146961
where:
bonds (distance) C4'-P energy: -17.411
bonds (distance) P-C4' energy: -19.246
flat angles C4'-P-C4' energy: -24.035
flat angles P-C4'-P energy: -13.280
tors. eta vs tors. theta energy: -15.173
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: 5
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -228.681394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.681394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.753265 (E_RNA)
where:
Base-Base interactions energy: -133.561
where: short stacking energy: -70.297
Base-Backbone interact. energy: -0.288
local terms energy: -94.904288
where:
bonds (distance) C4'-P energy: -19.999
bonds (distance) P-C4' energy: -21.165
flat angles C4'-P-C4' energy: -19.365
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -21.807
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: 6
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -213.255779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.255779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.575745 (E_RNA)
where:
Base-Base interactions energy: -139.927
where: short stacking energy: -67.187
Base-Backbone interact. energy: -0.223
local terms energy: -73.426524
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -19.731
flat angles C4'-P-C4' energy: -11.814
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: -17.487
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: 9, replica: 10
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -206.342298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.342298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.378041 (E_RNA)
where:
Base-Base interactions energy: -141.959
where: short stacking energy: -78.851
Base-Backbone interact. energy: -0.646
local terms energy: -63.773054
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -5.433
tors. eta vs tors. theta energy: -13.339
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: 323
Temperature: 1.350000
Total energy: -194.567453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.567453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.681751 (E_RNA)
where:
Base-Base interactions energy: -121.379
where: short stacking energy: -57.344
Base-Backbone interact. energy: -0.094
local terms energy: -73.208748
where:
bonds (distance) C4'-P energy: -19.069
bonds (distance) P-C4' energy: -16.394
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -12.357
tors. eta vs tors. theta energy: -11.241
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: 8
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -316.331626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.331626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.778037 (E_RNA)
where:
Base-Base interactions energy: -196.760
where: short stacking energy: -104.243
Base-Backbone interact. energy: -0.001
local terms energy: -120.016912
where:
bonds (distance) C4'-P energy: -19.333
bonds (distance) P-C4' energy: -25.039
flat angles C4'-P-C4' energy: -25.315
flat angles P-C4'-P energy: -17.206
tors. eta vs tors. theta energy: -33.123
Dist. restrs. and SS energy: 0.446 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -288.780934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.780934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.776286 (E_RNA)
where:
Base-Base interactions energy: -183.318
where: short stacking energy: -102.917
Base-Backbone interact. energy: -0.013
local terms energy: -106.445071
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -24.094
flat angles C4'-P-C4' energy: -21.775
flat angles P-C4'-P energy: -16.946
tors. eta vs tors. theta energy: -29.023
Dist. restrs. and SS energy: 0.995 (S_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: 324
Temperature: 1.000000
Total energy: -251.610474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.610474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.625716 (E_RNA)
where:
Base-Base interactions energy: -150.617
where: short stacking energy: -81.651
Base-Backbone interact. energy: -0.077
local terms energy: -100.931116
where:
bonds (distance) C4'-P energy: -23.523
bonds (distance) P-C4' energy: -22.424
flat angles C4'-P-C4' energy: -23.331
flat angles P-C4'-P energy: -15.719
tors. eta vs tors. theta energy: -15.933
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -275.674928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.674928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.977741 (E_RNA)
where:
Base-Base interactions energy: -171.939
where: short stacking energy: -92.240
Base-Backbone interact. energy: -0.063
local terms energy: -103.975394
where:
bonds (distance) C4'-P energy: -22.522
bonds (distance) P-C4' energy: -25.584
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -14.081
tors. eta vs tors. theta energy: -27.282
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: 5, replica: 2
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -249.924229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.924229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.987323 (E_RNA)
where:
Base-Base interactions energy: -146.664
where: short stacking energy: -74.449
Base-Backbone interact. energy: -0.137
local terms energy: -103.186041
where:
bonds (distance) C4'-P energy: -22.894
bonds (distance) P-C4' energy: -19.335
flat angles C4'-P-C4' energy: -25.023
flat angles P-C4'-P energy: -17.233
tors. eta vs tors. theta energy: -18.701
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: 1
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -232.350827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.350827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.457793 (E_RNA)
where:
Base-Base interactions energy: -143.549
where: short stacking energy: -76.563
Base-Backbone interact. energy: -0.204
local terms energy: -88.704396
where:
bonds (distance) C4'-P energy: -16.324
bonds (distance) P-C4' energy: -21.335
flat angles C4'-P-C4' energy: -17.989
flat angles P-C4'-P energy: -13.933
tors. eta vs tors. theta energy: -19.124
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: 6
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -233.821072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.821072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.215206 (E_RNA)
where:
Base-Base interactions energy: -152.044
where: short stacking energy: -76.499
Base-Backbone interact. energy: -0.329
local terms energy: -81.842434
where:
bonds (distance) C4'-P energy: -16.934
bonds (distance) P-C4' energy: -17.261
flat angles C4'-P-C4' energy: -21.057
flat angles P-C4'-P energy: -11.170
tors. eta vs tors. theta energy: -15.419
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: 8, replica: 5
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -221.424540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.424540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.574207 (E_RNA)
where:
Base-Base interactions energy: -130.260
where: short stacking energy: -69.277
Base-Backbone interact. energy: -0.196
local terms energy: -91.118352
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -21.738
flat angles C4'-P-C4' energy: -22.886
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -20.446
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: 324
Temperature: 1.300000
Total energy: -211.987418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.987418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.036458 (E_RNA)
where:
Base-Base interactions energy: -128.053
where: short stacking energy: -61.194
Base-Backbone interact. energy: -0.224
local terms energy: -83.759921
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -22.557
flat angles C4'-P-C4' energy: -19.614
flat angles P-C4'-P energy: -12.198
tors. eta vs tors. theta energy: -14.135
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -190.461917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.461917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.695326 (E_RNA)
where:
Base-Base interactions energy: -118.736
where: short stacking energy: -62.498
Base-Backbone interact. energy: -0.505
local terms energy: -71.454858
where:
bonds (distance) C4'-P energy: -18.932
bonds (distance) P-C4' energy: -19.649
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -6.376
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: 1, replica: 8
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -319.318009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.318009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.139119 (E_RNA)
where:
Base-Base interactions energy: -197.173
where: short stacking energy: -116.057
Base-Backbone interact. energy: -2.453
local terms energy: -121.512999
where:
bonds (distance) C4'-P energy: -18.817
bonds (distance) P-C4' energy: -26.644
flat angles C4'-P-C4' energy: -23.932
flat angles P-C4'-P energy: -17.039
tors. eta vs tors. theta energy: -35.081
Dist. restrs. and SS energy: 1.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -308.531256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.531256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.499821 (E_RNA)
where:
Base-Base interactions energy: -195.067
where: short stacking energy: -117.482
Base-Backbone interact. energy: -0.001
local terms energy: -114.432194
where:
bonds (distance) C4'-P energy: -22.968
bonds (distance) P-C4' energy: -20.923
flat angles C4'-P-C4' energy: -24.100
flat angles P-C4'-P energy: -12.980
tors. eta vs tors. theta energy: -33.461
Dist. restrs. and SS energy: 0.969 (S_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: 325
Temperature: 1.000000
Total energy: -270.132426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.132426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.160374 (E_RNA)
where:
Base-Base interactions energy: -155.782
where: short stacking energy: -84.259
Base-Backbone interact. energy: 0.011
local terms energy: -114.389574
where:
bonds (distance) C4'-P energy: -24.252
bonds (distance) P-C4' energy: -23.512
flat angles C4'-P-C4' energy: -24.547
flat angles P-C4'-P energy: -16.748
tors. eta vs tors. theta energy: -25.329
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -254.488840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.488840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.885997 (E_RNA)
where:
Base-Base interactions energy: -155.356
where: short stacking energy: -80.295
Base-Backbone interact. energy: -0.148
local terms energy: -99.381670
where:
bonds (distance) C4'-P energy: -22.293
bonds (distance) P-C4' energy: -19.307
flat angles C4'-P-C4' energy: -23.064
flat angles P-C4'-P energy: -17.822
tors. eta vs tors. theta energy: -16.896
Dist. restrs. and SS energy: 0.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -269.077551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.077551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.119715 (E_RNA)
where:
Base-Base interactions energy: -168.220
where: short stacking energy: -99.323
Base-Backbone interact. energy: -0.260
local terms energy: -100.639735
where:
bonds (distance) C4'-P energy: -17.254
bonds (distance) P-C4' energy: -15.590
flat angles C4'-P-C4' energy: -20.762
flat angles P-C4'-P energy: -17.614
tors. eta vs tors. theta energy: -29.420
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: 6
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -245.131896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.131896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.406233 (E_RNA)
where:
Base-Base interactions energy: -143.812
where: short stacking energy: -81.757
Base-Backbone interact. energy: 0.233
local terms energy: -101.827242
where:
bonds (distance) C4'-P energy: -18.498
bonds (distance) P-C4' energy: -23.301
flat angles C4'-P-C4' energy: -27.218
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: -22.905
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: 7, replica: 1
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -224.410625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.410625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.426416 (E_RNA)
where:
Base-Base interactions energy: -131.761
where: short stacking energy: -67.528
Base-Backbone interact. energy: -0.454
local terms energy: -92.211480
where:
bonds (distance) C4'-P energy: -17.762
bonds (distance) P-C4' energy: -22.671
flat angles C4'-P-C4' energy: -18.226
flat angles P-C4'-P energy: -14.591
tors. eta vs tors. theta energy: -18.961
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -213.885879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.885879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.924795 (E_RNA)
where:
Base-Base interactions energy: -133.218
where: short stacking energy: -64.975
Base-Backbone interact. energy: -0.160
local terms energy: -80.547211
where:
bonds (distance) C4'-P energy: -16.928
bonds (distance) P-C4' energy: -18.099
flat angles C4'-P-C4' energy: -17.995
flat angles P-C4'-P energy: -12.268
tors. eta vs tors. theta energy: -15.258
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: 5
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -216.147804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.147804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.616321 (E_RNA)
where:
Base-Base interactions energy: -134.011
where: short stacking energy: -70.771
Base-Backbone interact. energy: -0.038
local terms energy: -83.567823
where:
bonds (distance) C4'-P energy: -23.734
bonds (distance) P-C4' energy: -23.155
flat angles C4'-P-C4' energy: -18.731
flat angles P-C4'-P energy: -0.704
tors. eta vs tors. theta energy: -17.244
Dist. restrs. and SS energy: 1.469 (S_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: 325
Temperature: 1.350000
Total energy: -199.198854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.198854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.339162 (E_RNA)
where:
Base-Base interactions energy: -132.835
where: short stacking energy: -67.153
Base-Backbone interact. energy: -0.304
local terms energy: -66.199946
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -15.593
tors. eta vs tors. theta energy: -12.322
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: 1, replica: 7
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -301.967978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.967978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.288132 (E_RNA)
where:
Base-Base interactions energy: -182.145
where: short stacking energy: -104.911
Base-Backbone interact. energy: -0.089
local terms energy: -121.053268
where:
bonds (distance) C4'-P energy: -18.202
bonds (distance) P-C4' energy: -25.439
flat angles C4'-P-C4' energy: -25.821
flat angles P-C4'-P energy: -18.565
tors. eta vs tors. theta energy: -33.026
Dist. restrs. and SS energy: 1.320 (S_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: 326
Temperature: 0.950000
Total energy: -285.711012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.711012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.650832 (E_RNA)
where:
Base-Base interactions energy: -172.757
where: short stacking energy: -103.063
Base-Backbone interact. energy: -0.071
local terms energy: -113.822890
where:
bonds (distance) C4'-P energy: -19.702
bonds (distance) P-C4' energy: -22.345
flat angles C4'-P-C4' energy: -25.061
flat angles P-C4'-P energy: -18.728
tors. eta vs tors. theta energy: -27.987
Dist. restrs. and SS energy: 0.940 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -270.809682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.809682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.861832 (E_RNA)
where:
Base-Base interactions energy: -173.387
where: short stacking energy: -85.337
Base-Backbone interact. energy: -0.068
local terms energy: -97.407493
where:
bonds (distance) C4'-P energy: -22.741
bonds (distance) P-C4' energy: -22.461
flat angles C4'-P-C4' energy: -22.757
flat angles P-C4'-P energy: -4.521
tors. eta vs tors. theta energy: -24.927
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -242.897449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.897449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.953486 (E_RNA)
where:
Base-Base interactions energy: -142.949
where: short stacking energy: -78.235
Base-Backbone interact. energy: -0.051
local terms energy: -99.953410
where:
bonds (distance) C4'-P energy: -19.393
bonds (distance) P-C4' energy: -20.239
flat angles C4'-P-C4' energy: -26.901
flat angles P-C4'-P energy: -11.717
tors. eta vs tors. theta energy: -21.703
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: 3
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -246.193059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.193059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.193059 (E_RNA)
where:
Base-Base interactions energy: -145.539
where: short stacking energy: -85.606
Base-Backbone interact. energy: 0.415
local terms energy: -101.069711
where:
bonds (distance) C4'-P energy: -19.569
bonds (distance) P-C4' energy: -24.125
flat angles C4'-P-C4' energy: -21.621
flat angles P-C4'-P energy: -13.780
tors. eta vs tors. theta energy: -21.974
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: 6, replica: 6
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -239.778962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.778962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.564105 (E_RNA)
where:
Base-Base interactions energy: -151.037
where: short stacking energy: -81.986
Base-Backbone interact. energy: -0.179
local terms energy: -90.347898
where:
bonds (distance) C4'-P energy: -23.122
bonds (distance) P-C4' energy: -20.068
flat angles C4'-P-C4' energy: -17.197
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -20.728
Dist. restrs. and SS energy: 1.785 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -209.875123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.875123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.973332 (E_RNA)
where:
Base-Base interactions energy: -128.154
where: short stacking energy: -68.160
Base-Backbone interact. energy: -0.219
local terms energy: -81.600874
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -21.024
flat angles C4'-P-C4' energy: -17.822
flat angles P-C4'-P energy: -14.108
tors. eta vs tors. theta energy: -13.655
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: 1
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -210.103786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.103786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.286424 (E_RNA)
where:
Base-Base interactions energy: -127.341
where: short stacking energy: -54.964
Base-Backbone interact. energy: -0.282
local terms energy: -82.662764
where:
bonds (distance) C4'-P energy: -19.160
bonds (distance) P-C4' energy: -21.809
flat angles C4'-P-C4' energy: -18.757
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: -14.372
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: 10
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -214.214489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.214489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.809213 (E_RNA)
where:
Base-Base interactions energy: -144.555
where: short stacking energy: -76.909
Base-Backbone interact. energy: -0.242
local terms energy: -70.011712
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -19.436
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -7.497
tors. eta vs tors. theta energy: -13.044
Dist. restrs. and SS energy: 0.595 (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: 5
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -200.845668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.845668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.328603 (E_RNA)
where:
Base-Base interactions energy: -134.182
where: short stacking energy: -60.379
Base-Backbone interact. energy: -0.361
local terms energy: -67.785689
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -15.618
flat angles C4'-P-C4' energy: -21.215
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -9.272
Dist. restrs. and SS energy: 1.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -294.455573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.455573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.145346 (E_RNA)
where:
Base-Base interactions energy: -176.015
where: short stacking energy: -103.911
Base-Backbone interact. energy: -0.009
local terms energy: -119.121613
where:
bonds (distance) C4'-P energy: -22.024
bonds (distance) P-C4' energy: -23.380
flat angles C4'-P-C4' energy: -25.987
flat angles P-C4'-P energy: -17.222
tors. eta vs tors. theta energy: -30.508
Dist. restrs. and SS energy: 0.690 (S_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: 327
Temperature: 0.950000
Total energy: -304.025203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.025203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.225523 (E_RNA)
where:
Base-Base interactions energy: -187.219
where: short stacking energy: -111.119
Base-Backbone interact. energy: -0.000
local terms energy: -118.006735
where:
bonds (distance) C4'-P energy: -22.597
bonds (distance) P-C4' energy: -23.348
flat angles C4'-P-C4' energy: -24.966
flat angles P-C4'-P energy: -12.785
tors. eta vs tors. theta energy: -34.310
Dist. restrs. and SS energy: 1.200 (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: 2
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -269.087981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.087981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.087981 (E_RNA)
where:
Base-Base interactions energy: -157.166
where: short stacking energy: -79.790
Base-Backbone interact. energy: -0.932
local terms energy: -110.990161
where:
bonds (distance) C4'-P energy: -24.666
bonds (distance) P-C4' energy: -24.041
flat angles C4'-P-C4' energy: -26.232
flat angles P-C4'-P energy: -15.659
tors. eta vs tors. theta energy: -20.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -247.093181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.093181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.096869 (E_RNA)
where:
Base-Base interactions energy: -147.039
where: short stacking energy: -86.533
Base-Backbone interact. energy: -0.016
local terms energy: -100.041893
where:
bonds (distance) C4'-P energy: -19.412
bonds (distance) P-C4' energy: -23.245
flat angles C4'-P-C4' energy: -21.710
flat angles P-C4'-P energy: -12.704
tors. eta vs tors. theta energy: -22.971
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -255.018205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.018205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.101971 (E_RNA)
where:
Base-Base interactions energy: -156.315
where: short stacking energy: -91.984
Base-Backbone interact. energy: -0.305
local terms energy: -98.481800
where:
bonds (distance) C4'-P energy: -13.364
bonds (distance) P-C4' energy: -22.502
flat angles C4'-P-C4' energy: -22.717
flat angles P-C4'-P energy: -13.410
tors. eta vs tors. theta energy: -26.488
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: 327
Temperature: 1.150000
Total energy: -214.551846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.551846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.557878 (E_RNA)
where:
Base-Base interactions energy: -136.753
where: short stacking energy: -69.955
Base-Backbone interact. energy: 0.272
local terms energy: -78.077191
where:
bonds (distance) C4'-P energy: -9.557
bonds (distance) P-C4' energy: -20.798
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -14.095
tors. eta vs tors. theta energy: -20.265
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: 6
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -220.730416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.730416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.765331 (E_RNA)
where:
Base-Base interactions energy: -134.120
where: short stacking energy: -70.864
Base-Backbone interact. energy: -0.415
local terms energy: -86.229986
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -22.034
flat angles C4'-P-C4' energy: -20.078
flat angles P-C4'-P energy: -11.477
tors. eta vs tors. theta energy: -19.449
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: 10
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -225.896651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.896651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.841480 (E_RNA)
where:
Base-Base interactions energy: -146.672
where: short stacking energy: -69.749
Base-Backbone interact. energy: 1.651
local terms energy: -82.819894
where:
bonds (distance) C4'-P energy: -21.268
bonds (distance) P-C4' energy: -18.678
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -13.678
tors. eta vs tors. theta energy: -14.887
Dist. restrs. and SS energy: 1.945 (S_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: 327
Temperature: 1.300000
Total energy: -216.544268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.544268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.651017 (E_RNA)
where:
Base-Base interactions energy: -117.639
where: short stacking energy: -59.590
Base-Backbone interact. energy: -0.110
local terms energy: -98.901218
where:
bonds (distance) C4'-P energy: -24.476
bonds (distance) P-C4' energy: -19.307
flat angles C4'-P-C4' energy: -26.062
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: -16.642
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: 327
Temperature: 1.350000
Total energy: -198.963296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.963296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.346019 (E_RNA)
where:
Base-Base interactions energy: -119.615
where: short stacking energy: -57.741
Base-Backbone interact. energy: -0.180
local terms energy: -79.550378
where:
bonds (distance) C4'-P energy: -16.527
bonds (distance) P-C4' energy: -23.469
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -13.915
tors. eta vs tors. theta energy: -11.647
Dist. restrs. and SS energy: 0.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -308.126905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.126905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.045283 (E_RNA)
where:
Base-Base interactions energy: -193.410
where: short stacking energy: -115.860
Base-Backbone interact. energy: -0.048
local terms energy: -116.587853
where:
bonds (distance) C4'-P energy: -18.019
bonds (distance) P-C4' energy: -24.331
flat angles C4'-P-C4' energy: -21.647
flat angles P-C4'-P energy: -19.229
tors. eta vs tors. theta energy: -33.362
Dist. restrs. and SS energy: 1.918 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -294.655825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.655825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.295840 (E_RNA)
where:
Base-Base interactions energy: -183.499
where: short stacking energy: -99.119
Base-Backbone interact. energy: -0.029
local terms energy: -111.767747
where:
bonds (distance) C4'-P energy: -22.157
bonds (distance) P-C4' energy: -21.207
flat angles C4'-P-C4' energy: -22.700
flat angles P-C4'-P energy: -15.584
tors. eta vs tors. theta energy: -30.119
Dist. restrs. and SS energy: 0.640 (S_DIST_RNA)
chem. 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: -273.411171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.411171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.603251 (E_RNA)
where:
Base-Base interactions energy: -163.208
where: short stacking energy: -97.730
Base-Backbone interact. energy: -0.001
local terms energy: -110.393429
where:
bonds (distance) C4'-P energy: -21.718
bonds (distance) P-C4' energy: -22.462
flat angles C4'-P-C4' energy: -23.160
flat angles P-C4'-P energy: -13.774
tors. eta vs tors. theta energy: -29.278
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: 4, replica: 3
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -273.710573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.710573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.829119 (E_RNA)
where:
Base-Base interactions energy: -172.070
where: short stacking energy: -86.036
Base-Backbone interact. energy: -0.062
local terms energy: -101.696871
where:
bonds (distance) C4'-P energy: -22.173
bonds (distance) P-C4' energy: -20.516
flat angles C4'-P-C4' energy: -20.201
flat angles P-C4'-P energy: -11.834
tors. eta vs tors. theta energy: -26.974
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: 9
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -241.188715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.188715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.188715 (E_RNA)
where:
Base-Base interactions energy: -142.069
where: short stacking energy: -75.176
Base-Backbone interact. energy: -0.118
local terms energy: -99.001365
where:
bonds (distance) C4'-P energy: -20.821
bonds (distance) P-C4' energy: -22.085
flat angles C4'-P-C4' energy: -21.261
flat angles P-C4'-P energy: -17.794
tors. eta vs tors. theta energy: -17.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -235.072668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.072668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.208006 (E_RNA)
where:
Base-Base interactions energy: -151.676
where: short stacking energy: -78.757
Base-Backbone interact. energy: -0.492
local terms energy: -83.039934
where:
bonds (distance) C4'-P energy: -19.948
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -19.815
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -16.516
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: 10
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -251.087596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.087596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.461196 (E_RNA)
where:
Base-Base interactions energy: -157.325
where: short stacking energy: -68.485
Base-Backbone interact. energy: -0.344
local terms energy: -94.791930
where:
bonds (distance) C4'-P energy: -21.829
bonds (distance) P-C4' energy: -18.554
flat angles C4'-P-C4' energy: -21.395
flat angles P-C4'-P energy: -14.781
tors. eta vs tors. theta energy: -18.234
Dist. restrs. and SS energy: 1.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -221.148718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.148718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.167381 (E_RNA)
where:
Base-Base interactions energy: -141.745
where: short stacking energy: -63.481
Base-Backbone interact. energy: -0.130
local terms energy: -79.292846
where:
bonds (distance) C4'-P energy: -17.590
bonds (distance) P-C4' energy: -18.717
flat angles C4'-P-C4' energy: -19.087
flat angles P-C4'-P energy: -14.594
tors. eta vs tors. theta energy: -9.303
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: 328
Temperature: 1.300000
Total energy: -220.228932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.228932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.284636 (E_RNA)
where:
Base-Base interactions energy: -133.299
where: short stacking energy: -70.783
Base-Backbone interact. energy: -0.075
local terms energy: -86.910961
where:
bonds (distance) C4'-P energy: -23.088
bonds (distance) P-C4' energy: -21.760
flat angles C4'-P-C4' energy: -11.466
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -18.765
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -215.260572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.260572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.427677 (E_RNA)
where:
Base-Base interactions energy: -138.571
where: short stacking energy: -53.450
Base-Backbone interact. energy: -0.415
local terms energy: -76.441755
where:
bonds (distance) C4'-P energy: -19.790
bonds (distance) P-C4' energy: -18.067
flat angles C4'-P-C4' energy: -17.327
flat angles P-C4'-P energy: -12.927
tors. eta vs tors. theta energy: -8.331
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: 1, replica: 8
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -292.949636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.949636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.963724 (E_RNA)
where:
Base-Base interactions energy: -188.205
where: short stacking energy: -99.659
Base-Backbone interact. energy: -0.015
local terms energy: -106.743894
where:
bonds (distance) C4'-P energy: -22.063
bonds (distance) P-C4' energy: -22.016
flat angles C4'-P-C4' energy: -21.243
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: -29.987
Dist. restrs. and SS energy: 2.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -287.635098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.635098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.659890 (E_RNA)
where:
Base-Base interactions energy: -178.657
where: short stacking energy: -93.385
Base-Backbone interact. energy: -0.043
local terms energy: -108.959241
where:
bonds (distance) C4'-P energy: -17.755
bonds (distance) P-C4' energy: -25.529
flat angles C4'-P-C4' energy: -23.099
flat angles P-C4'-P energy: -17.919
tors. eta vs tors. theta energy: -24.657
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: 329
Temperature: 1.000000
Total energy: -259.952044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.952044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.987202 (E_RNA)
where:
Base-Base interactions energy: -153.673
where: short stacking energy: -88.234
Base-Backbone interact. energy: -0.203
local terms energy: -106.111629
where:
bonds (distance) C4'-P energy: -25.924
bonds (distance) P-C4' energy: -18.866
flat angles C4'-P-C4' energy: -21.610
flat angles P-C4'-P energy: -18.628
tors. eta vs tors. theta energy: -21.083
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -243.949440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.949440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.949440 (E_RNA)
where:
Base-Base interactions energy: -161.166
where: short stacking energy: -94.379
Base-Backbone interact. energy: -0.097
local terms energy: -82.685650
where:
bonds (distance) C4'-P energy: -23.158
bonds (distance) P-C4' energy: -21.834
flat angles C4'-P-C4' energy: -11.037
flat angles P-C4'-P energy: -3.067
tors. eta vs tors. theta energy: -23.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -260.575725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.575725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.706012 (E_RNA)
where:
Base-Base interactions energy: -157.115
where: short stacking energy: -86.157
Base-Backbone interact. energy: -0.242
local terms energy: -103.348830
where:
bonds (distance) C4'-P energy: -24.304
bonds (distance) P-C4' energy: -22.537
flat angles C4'-P-C4' energy: -23.210
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -21.196
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: 10
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -234.239455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.239455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.489166 (E_RNA)
where:
Base-Base interactions energy: -155.136
where: short stacking energy: -76.574
Base-Backbone interact. energy: -0.003
local terms energy: -79.350075
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -20.684
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -13.259
tors. eta vs tors. theta energy: -17.889
Dist. restrs. and SS energy: 0.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -206.927235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.927235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.126055 (E_RNA)
where:
Base-Base interactions energy: -128.828
where: short stacking energy: -57.466
Base-Backbone interact. energy: -1.028
local terms energy: -77.270301
where:
bonds (distance) C4'-P energy: -14.171
bonds (distance) P-C4' energy: -22.203
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -11.523
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: 5
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -208.928923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.928923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.120240 (E_RNA)
where:
Base-Base interactions energy: -130.777
where: short stacking energy: -62.466
Base-Backbone interact. energy: -0.682
local terms energy: -77.661237
where:
bonds (distance) C4'-P energy: -20.784
bonds (distance) P-C4' energy: -17.472
flat angles C4'-P-C4' energy: -20.436
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -6.681
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: 9, replica: 6
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -216.863394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.863394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.061239 (E_RNA)
where:
Base-Base interactions energy: -125.699
where: short stacking energy: -68.237
Base-Backbone interact. energy: -0.305
local terms energy: -91.057556
where:
bonds (distance) C4'-P energy: -22.845
bonds (distance) P-C4' energy: -20.196
flat angles C4'-P-C4' energy: -21.961
flat angles P-C4'-P energy: -7.584
tors. eta vs tors. theta energy: -18.470
Dist. restrs. and SS energy: 0.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -198.443363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.443363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.001241 (E_RNA)
where:
Base-Base interactions energy: -124.740
where: short stacking energy: -68.662
Base-Backbone interact. energy: -0.095
local terms energy: -74.166288
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -24.656
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -4.235
tors. eta vs tors. theta energy: -17.404
Dist. restrs. and SS energy: 0.558 (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: 2
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -291.695746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.695746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.839899 (E_RNA)
where:
Base-Base interactions energy: -177.994
where: short stacking energy: -113.128
Base-Backbone interact. energy: -0.131
local terms energy: -113.714986
where:
bonds (distance) C4'-P energy: -19.238
bonds (distance) P-C4' energy: -21.108
flat angles C4'-P-C4' energy: -25.050
flat angles P-C4'-P energy: -15.538
tors. eta vs tors. theta energy: -32.780
Dist. restrs. and SS energy: 0.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -272.283276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.283276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.208421 (E_RNA)
where:
Base-Base interactions energy: -172.013
where: short stacking energy: -86.594
Base-Backbone interact. energy: -1.090
local terms energy: -100.105887
where:
bonds (distance) C4'-P energy: -19.669
bonds (distance) P-C4' energy: -25.297
flat angles C4'-P-C4' energy: -19.800
flat angles P-C4'-P energy: -15.579
tors. eta vs tors. theta energy: -19.761
Dist. restrs. and SS energy: 0.925 (S_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: 330
Temperature: 1.000000
Total energy: -269.024297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.024297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.040535 (E_RNA)
where:
Base-Base interactions energy: -170.473
where: short stacking energy: -98.710
Base-Backbone interact. energy: -0.233
local terms energy: -98.334640
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -18.800
flat angles C4'-P-C4' energy: -25.114
flat angles P-C4'-P energy: -16.129
tors. eta vs tors. theta energy: -22.070
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -259.376926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.376926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.389305 (E_RNA)
where:
Base-Base interactions energy: -170.490
where: short stacking energy: -97.349
Base-Backbone interact. energy: -0.484
local terms energy: -88.415918
where:
bonds (distance) C4'-P energy: -21.330
bonds (distance) P-C4' energy: -18.068
flat angles C4'-P-C4' energy: -18.367
flat angles P-C4'-P energy: -7.680
tors. eta vs tors. theta energy: -22.971
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: 330
Temperature: 1.100000
Total energy: -259.798558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.798558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.916093 (E_RNA)
where:
Base-Base interactions energy: -158.698
where: short stacking energy: -93.153
Base-Backbone interact. energy: 1.208
local terms energy: -102.426500
where:
bonds (distance) C4'-P energy: -17.520
bonds (distance) P-C4' energy: -21.788
flat angles C4'-P-C4' energy: -18.829
flat angles P-C4'-P energy: -15.985
tors. eta vs tors. theta energy: -28.304
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: 3
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -246.786620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.786620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.800677 (E_RNA)
where:
Base-Base interactions energy: -137.421
where: short stacking energy: -77.103
Base-Backbone interact. energy: -0.005
local terms energy: -109.374862
where:
bonds (distance) C4'-P energy: -22.439
bonds (distance) P-C4' energy: -24.138
flat angles C4'-P-C4' energy: -25.205
flat angles P-C4'-P energy: -16.047
tors. eta vs tors. theta energy: -21.547
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: 4
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -213.899121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.899121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.917491 (E_RNA)
where:
Base-Base interactions energy: -128.449
where: short stacking energy: -61.035
Base-Backbone interact. energy: -1.215
local terms energy: -84.253658
where:
bonds (distance) C4'-P energy: -22.861
bonds (distance) P-C4' energy: -22.901
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -14.343
tors. eta vs tors. theta energy: -8.955
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: 5
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -208.824393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.824393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.855008 (E_RNA)
where:
Base-Base interactions energy: -121.483
where: short stacking energy: -55.187
Base-Backbone interact. energy: -0.513
local terms energy: -86.858976
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -18.114
flat angles C4'-P-C4' energy: -23.864
flat angles P-C4'-P energy: -15.010
tors. eta vs tors. theta energy: -13.660
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -212.220355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.220355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.323300 (E_RNA)
where:
Base-Base interactions energy: -127.693
where: short stacking energy: -63.748
Base-Backbone interact. energy: 0.919
local terms energy: -85.549133
where:
bonds (distance) C4'-P energy: -22.729
bonds (distance) P-C4' energy: -22.123
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -13.632
tors. eta vs tors. theta energy: -10.475
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: 6
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -197.575585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.575585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.583176 (E_RNA)
where:
Base-Base interactions energy: -123.479
where: short stacking energy: -62.639
Base-Backbone interact. energy: -0.228
local terms energy: -73.876121
where:
bonds (distance) C4'-P energy: -17.923
bonds (distance) P-C4' energy: -17.300
flat angles C4'-P-C4' energy: -20.471
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: -8.454
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -305.433794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.433794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.709752 (E_RNA)
where:
Base-Base interactions energy: -182.746
where: short stacking energy: -116.253
Base-Backbone interact. energy: -0.056
local terms energy: -122.907041
where:
bonds (distance) C4'-P energy: -19.504
bonds (distance) P-C4' energy: -26.793
flat angles C4'-P-C4' energy: -23.834
flat angles P-C4'-P energy: -18.862
tors. eta vs tors. theta energy: -33.913
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: 2, replica: 9
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -309.564843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.564843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.590502 (E_RNA)
where:
Base-Base interactions energy: -188.422
where: short stacking energy: -103.382
Base-Backbone interact. energy: -0.006
local terms energy: -121.163122
where:
bonds (distance) C4'-P energy: -23.088
bonds (distance) P-C4' energy: -22.885
flat angles C4'-P-C4' energy: -24.992
flat angles P-C4'-P energy: -18.447
tors. eta vs tors. theta energy: -31.751
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -302.924509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.924509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.998752 (E_RNA)
where:
Base-Base interactions energy: -184.486
where: short stacking energy: -106.829
Base-Backbone interact. energy: -0.016
local terms energy: -118.497487
where:
bonds (distance) C4'-P energy: -24.985
bonds (distance) P-C4' energy: -23.279
flat angles C4'-P-C4' energy: -21.841
flat angles P-C4'-P energy: -18.204
tors. eta vs tors. theta energy: -30.189
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: 10
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -252.448588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.448588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.448588 (E_RNA)
where:
Base-Base interactions energy: -151.517
where: short stacking energy: -73.723
Base-Backbone interact. energy: 1.360
local terms energy: -102.291286
where:
bonds (distance) C4'-P energy: -19.663
bonds (distance) P-C4' energy: -20.171
flat angles C4'-P-C4' energy: -25.414
flat angles P-C4'-P energy: -17.638
tors. eta vs tors. theta energy: -19.406
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -261.363103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.363103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.380397 (E_RNA)
where:
Base-Base interactions energy: -158.415
where: short stacking energy: -85.466
Base-Backbone interact. energy: -0.201
local terms energy: -102.765061
where:
bonds (distance) C4'-P energy: -22.911
bonds (distance) P-C4' energy: -17.218
flat angles C4'-P-C4' energy: -21.793
flat angles P-C4'-P energy: -18.953
tors. eta vs tors. theta energy: -21.891
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: 4
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -237.875674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.875674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.876007 (E_RNA)
where:
Base-Base interactions energy: -155.125
where: short stacking energy: -89.127
Base-Backbone interact. energy: -0.037
local terms energy: -82.714791
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -18.065
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -16.351
tors. eta vs tors. theta energy: -19.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -209.912908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.912908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.912908 (E_RNA)
where:
Base-Base interactions energy: -130.451
where: short stacking energy: -65.366
Base-Backbone interact. energy: -0.179
local terms energy: -79.282235
where:
bonds (distance) C4'-P energy: -19.944
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -18.803
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -11.664
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: 8, replica: 1
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -216.986125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.986125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.130400 (E_RNA)
where:
Base-Base interactions energy: -124.534
where: short stacking energy: -62.773
Base-Backbone interact. energy: -0.866
local terms energy: -91.731083
where:
bonds (distance) C4'-P energy: -21.218
bonds (distance) P-C4' energy: -27.542
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -14.029
tors. eta vs tors. theta energy: -12.959
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: 5
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -215.648159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.648159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.884409 (E_RNA)
where:
Base-Base interactions energy: -126.740
where: short stacking energy: -62.656
Base-Backbone interact. energy: 0.357
local terms energy: -89.501835
where:
bonds (distance) C4'-P energy: -18.730
bonds (distance) P-C4' energy: -22.688
flat angles C4'-P-C4' energy: -21.009
flat angles P-C4'-P energy: -12.898
tors. eta vs tors. theta energy: -14.176
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: 10, replica: 6
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -196.042962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.042962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.347599 (E_RNA)
where:
Base-Base interactions energy: -112.842
where: short stacking energy: -51.358
Base-Backbone interact. energy: -0.112
local terms energy: -83.392908
where:
bonds (distance) C4'-P energy: -21.814
bonds (distance) P-C4' energy: -23.817
flat angles C4'-P-C4' energy: -17.446
flat angles P-C4'-P energy: -15.817
tors. eta vs tors. theta energy: -4.499
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: 1, replica: 9
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -300.407649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.407649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.419051 (E_RNA)
where:
Base-Base interactions energy: -181.898
where: short stacking energy: -109.496
Base-Backbone interact. energy: -0.073
local terms energy: -118.447675
where:
bonds (distance) C4'-P energy: -24.144
bonds (distance) P-C4' energy: -21.343
flat angles C4'-P-C4' energy: -23.270
flat angles P-C4'-P energy: -19.714
tors. eta vs tors. theta energy: -29.977
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: 332
Temperature: 0.950000
Total energy: -293.523787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.523787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.528161 (E_RNA)
where:
Base-Base interactions energy: -177.325
where: short stacking energy: -107.226
Base-Backbone interact. energy: -0.049
local terms energy: -116.153648
where:
bonds (distance) C4'-P energy: -19.181
bonds (distance) P-C4' energy: -20.827
flat angles C4'-P-C4' energy: -23.645
flat angles P-C4'-P energy: -19.133
tors. eta vs tors. theta energy: -33.368
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: 8
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -280.121369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.121369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.162409 (E_RNA)
where:
Base-Base interactions energy: -170.248
where: short stacking energy: -102.745
Base-Backbone interact. energy: -0.065
local terms energy: -109.848992
where:
bonds (distance) C4'-P energy: -20.621
bonds (distance) P-C4' energy: -19.055
flat angles C4'-P-C4' energy: -23.998
flat angles P-C4'-P energy: -16.696
tors. eta vs tors. theta energy: -29.479
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: 332
Temperature: 1.050000
Total energy: -268.850129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.850129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.991257 (E_RNA)
where:
Base-Base interactions energy: -164.397
where: short stacking energy: -92.959
Base-Backbone interact. energy: -0.103
local terms energy: -104.490832
where:
bonds (distance) C4'-P energy: -19.260
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -27.909
flat angles P-C4'-P energy: -15.909
tors. eta vs tors. theta energy: -25.085
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -256.027416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.027416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.295484 (E_RNA)
where:
Base-Base interactions energy: -153.782
where: short stacking energy: -82.690
Base-Backbone interact. energy: -0.082
local terms energy: -104.431602
where:
bonds (distance) C4'-P energy: -21.932
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -25.822
flat angles P-C4'-P energy: -17.438
tors. eta vs tors. theta energy: -20.822
Dist. restrs. and SS energy: 2.268 (S_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: 332
Temperature: 1.150000
Total energy: -229.510218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.510218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.789368 (E_RNA)
where:
Base-Base interactions energy: -137.227
where: short stacking energy: -74.689
Base-Backbone interact. energy: -0.367
local terms energy: -92.195476
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -23.740
flat angles C4'-P-C4' energy: -21.508
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -17.833
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: 7, replica: 1
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -255.234968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.234968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.347621 (E_RNA)
where:
Base-Base interactions energy: -159.699
where: short stacking energy: -86.685
Base-Backbone interact. energy: -0.018
local terms energy: -95.630974
where:
bonds (distance) C4'-P energy: -19.932
bonds (distance) P-C4' energy: -21.202
flat angles C4'-P-C4' energy: -21.376
flat angles P-C4'-P energy: -12.865
tors. eta vs tors. theta energy: -20.256
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: 3
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -206.106488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.106488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.118805 (E_RNA)
where:
Base-Base interactions energy: -119.234
where: short stacking energy: -53.232
Base-Backbone interact. energy: -1.026
local terms energy: -85.858736
where:
bonds (distance) C4'-P energy: -19.101
bonds (distance) P-C4' energy: -24.620
flat angles C4'-P-C4' energy: -19.443
flat angles P-C4'-P energy: -14.257
tors. eta vs tors. theta energy: -8.438
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: 332
Temperature: 1.300000
Total energy: -217.031972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.031972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.031972 (E_RNA)
where:
Base-Base interactions energy: -139.597
where: short stacking energy: -65.210
Base-Backbone interact. energy: -1.292
local terms energy: -76.142112
where:
bonds (distance) C4'-P energy: -16.692
bonds (distance) P-C4' energy: -17.482
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -15.693
tors. eta vs tors. theta energy: -12.568
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -211.197879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.197879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.522372 (E_RNA)
where:
Base-Base interactions energy: -132.201
where: short stacking energy: -70.252
Base-Backbone interact. energy: -0.060
local terms energy: -79.261970
where:
bonds (distance) C4'-P energy: -19.547
bonds (distance) P-C4' energy: -20.709
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -5.344
tors. eta vs tors. theta energy: -16.949
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: 1, replica: 9
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -281.500187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.500187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.583032 (E_RNA)
where:
Base-Base interactions energy: -176.775
where: short stacking energy: -97.929
Base-Backbone interact. energy: -2.545
local terms energy: -102.263002
where:
bonds (distance) C4'-P energy: -17.020
bonds (distance) P-C4' energy: -21.016
flat angles C4'-P-C4' energy: -24.112
flat angles P-C4'-P energy: -14.244
tors. eta vs tors. theta energy: -25.871
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: 8
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -278.216039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.216039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.379612 (E_RNA)
where:
Base-Base interactions energy: -172.380
where: short stacking energy: -84.440
Base-Backbone interact. energy: -0.341
local terms energy: -105.657931
where:
bonds (distance) C4'-P energy: -19.333
bonds (distance) P-C4' energy: -22.260
flat angles C4'-P-C4' energy: -23.784
flat angles P-C4'-P energy: -17.942
tors. eta vs tors. theta energy: -22.338
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: 2
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -286.148366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.148366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.235663 (E_RNA)
where:
Base-Base interactions energy: -175.818
where: short stacking energy: -108.958
Base-Backbone interact. energy: -0.071
local terms energy: -110.346211
where:
bonds (distance) C4'-P energy: -18.333
bonds (distance) P-C4' energy: -20.828
flat angles C4'-P-C4' energy: -24.992
flat angles P-C4'-P energy: -14.488
tors. eta vs tors. theta energy: -31.704
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -269.401620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.401620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.475573 (E_RNA)
where:
Base-Base interactions energy: -160.139
where: short stacking energy: -97.945
Base-Backbone interact. energy: -0.002
local terms energy: -109.334267
where:
bonds (distance) C4'-P energy: -20.642
bonds (distance) P-C4' energy: -20.782
flat angles C4'-P-C4' energy: -24.552
flat angles P-C4'-P energy: -12.998
tors. eta vs tors. theta energy: -30.361
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: 333
Temperature: 1.100000
Total energy: -269.611008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.611008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.675742 (E_RNA)
where:
Base-Base interactions energy: -171.946
where: short stacking energy: -82.627
Base-Backbone interact. energy: -0.157
local terms energy: -99.572137
where:
bonds (distance) C4'-P energy: -21.338
bonds (distance) P-C4' energy: -21.376
flat angles C4'-P-C4' energy: -18.540
flat angles P-C4'-P energy: -15.409
tors. eta vs tors. theta energy: -22.910
Dist. restrs. and SS energy: 2.065 (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: 1
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -259.042591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.042591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.056653 (E_RNA)
where:
Base-Base interactions energy: -163.987
where: short stacking energy: -95.524
Base-Backbone interact. energy: -0.064
local terms energy: -95.004952
where:
bonds (distance) C4'-P energy: -13.293
bonds (distance) P-C4' energy: -20.737
flat angles C4'-P-C4' energy: -19.801
flat angles P-C4'-P energy: -14.098
tors. eta vs tors. theta energy: -27.076
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: 7
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -232.692547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.692547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.800940 (E_RNA)
where:
Base-Base interactions energy: -143.808
where: short stacking energy: -73.989
Base-Backbone interact. energy: 0.201
local terms energy: -89.194073
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -25.346
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -14.804
tors. eta vs tors. theta energy: -17.173
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: 6
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -221.091306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.091306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.314498 (E_RNA)
where:
Base-Base interactions energy: -140.335
where: short stacking energy: -73.834
Base-Backbone interact. energy: -0.073
local terms energy: -80.905759
where:
bonds (distance) C4'-P energy: -17.036
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -23.136
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -12.913
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: 9, replica: 3
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -201.422179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.422179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.445608 (E_RNA)
where:
Base-Base interactions energy: -116.427
where: short stacking energy: -51.107
Base-Backbone interact. energy: -0.519
local terms energy: -84.499750
where:
bonds (distance) C4'-P energy: -20.249
bonds (distance) P-C4' energy: -24.622
flat angles C4'-P-C4' energy: -18.948
flat angles P-C4'-P energy: -14.113
tors. eta vs tors. theta energy: -6.568
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: 5
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -219.908051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.908051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.180975 (E_RNA)
where:
Base-Base interactions energy: -140.708
where: short stacking energy: -72.687
Base-Backbone interact. energy: -0.204
local terms energy: -79.269334
where:
bonds (distance) C4'-P energy: -8.525
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -19.194
flat angles P-C4'-P energy: -14.043
tors. eta vs tors. theta energy: -19.559
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: 1, replica: 9
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -300.288879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.288879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.293218 (E_RNA)
where:
Base-Base interactions energy: -189.267
where: short stacking energy: -110.792
Base-Backbone interact. energy: -0.071
local terms energy: -110.955032
where:
bonds (distance) C4'-P energy: -19.254
bonds (distance) P-C4' energy: -24.546
flat angles C4'-P-C4' energy: -22.278
flat angles P-C4'-P energy: -16.665
tors. eta vs tors. theta energy: -28.212
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: 334
Temperature: 0.950000
Total energy: -282.420629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.420629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.308781 (E_RNA)
where:
Base-Base interactions energy: -173.198
where: short stacking energy: -98.911
Base-Backbone interact. energy: -0.067
local terms energy: -110.044106
where:
bonds (distance) C4'-P energy: -25.319
bonds (distance) P-C4' energy: -20.498
flat angles C4'-P-C4' energy: -24.750
flat angles P-C4'-P energy: -13.748
tors. eta vs tors. theta energy: -25.730
Dist. restrs. and SS energy: 0.888 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -291.217322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.217322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.335534 (E_RNA)
where:
Base-Base interactions energy: -182.754
where: short stacking energy: -97.753
Base-Backbone interact. energy: -0.111
local terms energy: -108.470923
where:
bonds (distance) C4'-P energy: -20.554
bonds (distance) P-C4' energy: -23.346
flat angles C4'-P-C4' energy: -19.666
flat angles P-C4'-P energy: -13.969
tors. eta vs tors. theta energy: -30.935
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: 4
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -248.547597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.547597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.608287 (E_RNA)
where:
Base-Base interactions energy: -145.623
where: short stacking energy: -84.302
Base-Backbone interact. energy: -0.811
local terms energy: -102.173973
where:
bonds (distance) C4'-P energy: -19.984
bonds (distance) P-C4' energy: -20.309
flat angles C4'-P-C4' energy: -21.720
flat angles P-C4'-P energy: -14.123
tors. eta vs tors. theta energy: -26.039
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: 5, replica: 10
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -263.877922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.877922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.038622 (E_RNA)
where:
Base-Base interactions energy: -161.984
where: short stacking energy: -88.944
Base-Backbone interact. energy: -0.002
local terms energy: -102.052356
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -22.040
flat angles C4'-P-C4' energy: -19.235
flat angles P-C4'-P energy: -19.931
tors. eta vs tors. theta energy: -27.318
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: 1
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -254.649997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.649997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.215411 (E_RNA)
where:
Base-Base interactions energy: -164.707
where: short stacking energy: -91.685
Base-Backbone interact. energy: -0.244
local terms energy: -90.264229
where:
bonds (distance) C4'-P energy: -20.426
bonds (distance) P-C4' energy: -16.661
flat angles C4'-P-C4' energy: -19.452
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -24.365
Dist. restrs. and SS energy: 0.565 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -229.830659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.830659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.988070 (E_RNA)
where:
Base-Base interactions energy: -139.379
where: short stacking energy: -75.249
Base-Backbone interact. energy: -0.154
local terms energy: -90.455304
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -19.639
flat angles C4'-P-C4' energy: -20.114
flat angles P-C4'-P energy: -14.726
tors. eta vs tors. theta energy: -20.828
Dist. restrs. and SS energy: 0.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -223.581877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.581877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.619215 (E_RNA)
where:
Base-Base interactions energy: -131.835
where: short stacking energy: -65.923
Base-Backbone interact. energy: -0.144
local terms energy: -91.640209
where:
bonds (distance) C4'-P energy: -16.527
bonds (distance) P-C4' energy: -19.749
flat angles C4'-P-C4' energy: -22.616
flat angles P-C4'-P energy: -16.190
tors. eta vs tors. theta energy: -16.557
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: 334
Temperature: 1.300000
Total energy: -215.708834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.708834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.551414 (E_RNA)
where:
Base-Base interactions energy: -138.326
where: short stacking energy: -63.939
Base-Backbone interact. energy: -0.294
local terms energy: -78.931439
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -21.449
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -14.028
tors. eta vs tors. theta energy: -16.119
Dist. restrs. and SS energy: 1.843 (S_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: 334
Temperature: 1.350000
Total energy: -209.491503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.491503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.069932 (E_RNA)
where:
Base-Base interactions energy: -132.531
where: short stacking energy: -65.815
Base-Backbone interact. energy: -0.022
local terms energy: -78.516662
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -20.254
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -15.386
tors. eta vs tors. theta energy: -16.106
Dist. restrs. and SS energy: 1.578 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -301.373586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.373586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.373586 (E_RNA)
where:
Base-Base interactions energy: -183.707
where: short stacking energy: -110.505
Base-Backbone interact. energy: -0.005
local terms energy: -117.661247
where:
bonds (distance) C4'-P energy: -23.859
bonds (distance) P-C4' energy: -21.767
flat angles C4'-P-C4' energy: -22.868
flat angles P-C4'-P energy: -18.824
tors. eta vs tors. theta energy: -30.343
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: 2, replica: 8
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -267.474044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.474044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.757323 (E_RNA)
where:
Base-Base interactions energy: -167.089
where: short stacking energy: -99.991
Base-Backbone interact. energy: -0.592
local terms energy: -100.076098
where:
bonds (distance) C4'-P energy: -20.903
bonds (distance) P-C4' energy: -21.794
flat angles C4'-P-C4' energy: -18.849
flat angles P-C4'-P energy: -17.196
tors. eta vs tors. theta energy: -21.333
Dist. restrs. and SS energy: 0.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -291.830748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.830748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.858397 (E_RNA)
where:
Base-Base interactions energy: -186.641
where: short stacking energy: -109.824
Base-Backbone interact. energy: 3.342
local terms energy: -108.559739
where:
bonds (distance) C4'-P energy: -17.426
bonds (distance) P-C4' energy: -20.915
flat angles C4'-P-C4' energy: -22.344
flat angles P-C4'-P energy: -20.196
tors. eta vs tors. theta energy: -27.678
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: 4
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -259.315499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.315499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.392218 (E_RNA)
where:
Base-Base interactions energy: -158.141
where: short stacking energy: -87.138
Base-Backbone interact. energy: -0.021
local terms energy: -101.230259
where:
bonds (distance) C4'-P energy: -18.758
bonds (distance) P-C4' energy: -21.122
flat angles C4'-P-C4' energy: -23.199
flat angles P-C4'-P energy: -15.255
tors. eta vs tors. theta energy: -22.896
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: 335
Temperature: 1.100000
Total energy: -240.994570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.994570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.998618 (E_RNA)
where:
Base-Base interactions energy: -150.143
where: short stacking energy: -81.035
Base-Backbone interact. energy: -0.194
local terms energy: -90.662092
where:
bonds (distance) C4'-P energy: -23.697
bonds (distance) P-C4' energy: -24.921
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -14.532
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: 1
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -234.478415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.478415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.639298 (E_RNA)
where:
Base-Base interactions energy: -140.596
where: short stacking energy: -86.714
Base-Backbone interact. energy: -0.155
local terms energy: -93.889110
where:
bonds (distance) C4'-P energy: -23.950
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -18.782
flat angles P-C4'-P energy: -10.528
tors. eta vs tors. theta energy: -22.196
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: 7, replica: 6
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -227.198756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.198756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.662462 (E_RNA)
where:
Base-Base interactions energy: -136.183
where: short stacking energy: -66.846
Base-Backbone interact. energy: -0.604
local terms energy: -90.875691
where:
bonds (distance) C4'-P energy: -22.040
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -20.242
flat angles P-C4'-P energy: -15.959
tors. eta vs tors. theta energy: -16.373
Dist. restrs. and SS energy: 0.464 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -222.438040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.438040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.979110 (E_RNA)
where:
Base-Base interactions energy: -134.653
where: short stacking energy: -68.572
Base-Backbone interact. energy: -0.148
local terms energy: -89.178628
where:
bonds (distance) C4'-P energy: -18.497
bonds (distance) P-C4' energy: -22.542
flat angles C4'-P-C4' energy: -18.985
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -18.737
Dist. restrs. and SS energy: 1.541 (S_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: 335
Temperature: 1.300000
Total energy: -209.646262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.646262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.369262 (E_RNA)
where:
Base-Base interactions energy: -127.458
where: short stacking energy: -55.989
Base-Backbone interact. energy: -0.498
local terms energy: -82.413139
where:
bonds (distance) C4'-P energy: -20.547
bonds (distance) P-C4' energy: -17.534
flat angles C4'-P-C4' energy: -21.638
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: -15.044
Dist. restrs. and SS energy: 0.723 (S_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: 335
Temperature: 1.350000
Total energy: -217.554823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.554823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.595802 (E_RNA)
where:
Base-Base interactions energy: -134.393
where: short stacking energy: -62.247
Base-Backbone interact. energy: -0.237
local terms energy: -82.966087
where:
bonds (distance) C4'-P energy: -22.843
bonds (distance) P-C4' energy: -21.709
flat angles C4'-P-C4' energy: -20.100
flat angles P-C4'-P energy: -4.997
tors. eta vs tors. theta energy: -13.317
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: 9
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -299.835911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.835911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.835911 (E_RNA)
where:
Base-Base interactions energy: -180.284
where: short stacking energy: -99.371
Base-Backbone interact. energy: 0.166
local terms energy: -119.718304
where:
bonds (distance) C4'-P energy: -23.813
bonds (distance) P-C4' energy: -24.803
flat angles C4'-P-C4' energy: -24.279
flat angles P-C4'-P energy: -19.925
tors. eta vs tors. theta energy: -26.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -277.458659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.458659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.572330 (E_RNA)
where:
Base-Base interactions energy: -171.461
where: short stacking energy: -105.160
Base-Backbone interact. energy: -0.228
local terms energy: -105.883385
where:
bonds (distance) C4'-P energy: -17.516
bonds (distance) P-C4' energy: -20.662
flat angles C4'-P-C4' energy: -20.568
flat angles P-C4'-P energy: -18.882
tors. eta vs tors. theta energy: -28.256
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: 4
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -270.214151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.214151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.266673 (E_RNA)
where:
Base-Base interactions energy: -168.566
where: short stacking energy: -98.819
Base-Backbone interact. energy: -0.107
local terms energy: -101.594283
where:
bonds (distance) C4'-P energy: -18.637
bonds (distance) P-C4' energy: -19.384
flat angles C4'-P-C4' energy: -21.951
flat angles P-C4'-P energy: -17.882
tors. eta vs tors. theta energy: -23.740
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: 336
Temperature: 1.050000
Total energy: -276.878654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.878654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.099415 (E_RNA)
where:
Base-Base interactions energy: -173.217
where: short stacking energy: -96.610
Base-Backbone interact. energy: 1.997
local terms energy: -105.878894
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -23.293
flat angles C4'-P-C4' energy: -24.929
flat angles P-C4'-P energy: -17.124
tors. eta vs tors. theta energy: -23.197
Dist. restrs. and SS energy: 0.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -246.417279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.417279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.555612 (E_RNA)
where:
Base-Base interactions energy: -147.148
where: short stacking energy: -80.793
Base-Backbone interact. energy: -0.327
local terms energy: -99.080241
where:
bonds (distance) C4'-P energy: -20.497
bonds (distance) P-C4' energy: -25.441
flat angles C4'-P-C4' energy: -18.959
flat angles P-C4'-P energy: -16.014
tors. eta vs tors. theta energy: -18.169
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -245.489285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.489285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.955370 (E_RNA)
where:
Base-Base interactions energy: -156.430
where: short stacking energy: -78.251
Base-Backbone interact. energy: -0.032
local terms energy: -89.492698
where:
bonds (distance) C4'-P energy: -18.622
bonds (distance) P-C4' energy: -17.217
flat angles C4'-P-C4' energy: -19.996
flat angles P-C4'-P energy: -13.905
tors. eta vs tors. theta energy: -19.753
Dist. restrs. and SS energy: 0.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -213.153891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.153891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.295635 (E_RNA)
where:
Base-Base interactions energy: -126.598
where: short stacking energy: -69.627
Base-Backbone interact. energy: -0.066
local terms energy: -86.631663
where:
bonds (distance) C4'-P energy: -22.017
bonds (distance) P-C4' energy: -23.541
flat angles C4'-P-C4' energy: -18.930
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: -14.082
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: 6
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -224.061158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.061158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.122267 (E_RNA)
where:
Base-Base interactions energy: -143.826
where: short stacking energy: -70.089
Base-Backbone interact. energy: -0.216
local terms energy: -80.079995
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -16.134
flat angles C4'-P-C4' energy: -20.356
flat angles P-C4'-P energy: -14.406
tors. eta vs tors. theta energy: -13.514
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -213.724328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.724328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.781306 (E_RNA)
where:
Base-Base interactions energy: -127.153
where: short stacking energy: -63.531
Base-Backbone interact. energy: -0.163
local terms energy: -86.464882
where:
bonds (distance) C4'-P energy: -13.890
bonds (distance) P-C4' energy: -20.298
flat angles C4'-P-C4' energy: -20.313
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -20.220
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: 7
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -212.812783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.812783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.208111 (E_RNA)
where:
Base-Base interactions energy: -140.893
where: short stacking energy: -67.120
Base-Backbone interact. energy: -0.205
local terms energy: -73.110632
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -9.517
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -13.740
tors. eta vs tors. theta energy: -19.962
Dist. restrs. and SS energy: 1.395 (S_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: 337
Temperature: 0.900000
Total energy: -297.121550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.121550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.684158 (E_RNA)
where:
Base-Base interactions energy: -181.561
where: short stacking energy: -106.659
Base-Backbone interact. energy: -0.344
local terms energy: -115.779960
where:
bonds (distance) C4'-P energy: -18.604
bonds (distance) P-C4' energy: -22.589
flat angles C4'-P-C4' energy: -25.810
flat angles P-C4'-P energy: -18.247
tors. eta vs tors. theta energy: -30.529
Dist. restrs. and SS energy: 0.563 (S_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: 337
Temperature: 0.950000
Total energy: -288.212470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.212470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.333295 (E_RNA)
where:
Base-Base interactions energy: -187.841
where: short stacking energy: -119.411
Base-Backbone interact. energy: -0.013
local terms energy: -100.479123
where:
bonds (distance) C4'-P energy: -21.120
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -19.644
flat angles P-C4'-P energy: -14.671
tors. eta vs tors. theta energy: -32.043
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: 4
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -277.146486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.146486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.157034 (E_RNA)
where:
Base-Base interactions energy: -164.540
where: short stacking energy: -96.010
Base-Backbone interact. energy: -0.687
local terms energy: -111.930858
where:
bonds (distance) C4'-P energy: -19.907
bonds (distance) P-C4' energy: -23.561
flat angles C4'-P-C4' energy: -23.259
flat angles P-C4'-P energy: -17.217
tors. eta vs tors. theta energy: -27.988
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: 337
Temperature: 1.050000
Total energy: -249.718177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.718177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.015670 (E_RNA)
where:
Base-Base interactions energy: -146.683
where: short stacking energy: -71.638
Base-Backbone interact. energy: -0.227
local terms energy: -103.105978
where:
bonds (distance) C4'-P energy: -21.655
bonds (distance) P-C4' energy: -18.066
flat angles C4'-P-C4' energy: -26.253
flat angles P-C4'-P energy: -18.249
tors. eta vs tors. theta energy: -18.883
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: 5, replica: 2
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -254.117759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.117759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.314493 (E_RNA)
where:
Base-Base interactions energy: -151.633
where: short stacking energy: -86.705
Base-Backbone interact. energy: -0.054
local terms energy: -102.627323
where:
bonds (distance) C4'-P energy: -23.622
bonds (distance) P-C4' energy: -21.302
flat angles C4'-P-C4' energy: -22.131
flat angles P-C4'-P energy: -12.662
tors. eta vs tors. theta energy: -22.911
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: 6, replica: 10
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -236.746255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.746255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.799434 (E_RNA)
where:
Base-Base interactions energy: -142.286
where: short stacking energy: -70.598
Base-Backbone interact. energy: -0.185
local terms energy: -94.328215
where:
bonds (distance) C4'-P energy: -19.257
bonds (distance) P-C4' energy: -21.907
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -18.434
tors. eta vs tors. theta energy: -18.708
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: 337
Temperature: 1.200000
Total energy: -218.585258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.585258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.591867 (E_RNA)
where:
Base-Base interactions energy: -125.039
where: short stacking energy: -62.285
Base-Backbone interact. energy: -0.126
local terms energy: -93.426649
where:
bonds (distance) C4'-P energy: -23.526
bonds (distance) P-C4' energy: -21.881
flat angles C4'-P-C4' energy: -23.623
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -14.553
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: 337
Temperature: 1.250000
Total energy: -209.372891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.372891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.423056 (E_RNA)
where:
Base-Base interactions energy: -129.634
where: short stacking energy: -73.551
Base-Backbone interact. energy: -0.054
local terms energy: -79.734721
where:
bonds (distance) C4'-P energy: -12.854
bonds (distance) P-C4' energy: -18.163
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -16.012
tors. eta vs tors. theta energy: -16.766
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: 3
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -215.136840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.136840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.136840 (E_RNA)
where:
Base-Base interactions energy: -129.923
where: short stacking energy: -67.903
Base-Backbone interact. energy: -0.119
local terms energy: -85.094808
where:
bonds (distance) C4'-P energy: -18.376
bonds (distance) P-C4' energy: -19.155
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -17.280
tors. eta vs tors. theta energy: -13.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -222.591317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.591317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.727842 (E_RNA)
where:
Base-Base interactions energy: -141.075
where: short stacking energy: -71.841
Base-Backbone interact. energy: -0.154
local terms energy: -81.498886
where:
bonds (distance) C4'-P energy: -17.486
bonds (distance) P-C4' energy: -20.258
flat angles C4'-P-C4' energy: -19.824
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -13.767
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: 9
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -300.180486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.180486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.253636 (E_RNA)
where:
Base-Base interactions energy: -184.368
where: short stacking energy: -106.397
Base-Backbone interact. energy: -0.019
local terms energy: -115.867222
where:
bonds (distance) C4'-P energy: -20.111
bonds (distance) P-C4' energy: -24.452
flat angles C4'-P-C4' energy: -22.680
flat angles P-C4'-P energy: -17.888
tors. eta vs tors. theta energy: -30.736
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: 8
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -282.739859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.739859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.878498 (E_RNA)
where:
Base-Base interactions energy: -168.433
where: short stacking energy: -99.061
Base-Backbone interact. energy: -0.240
local terms energy: -114.205676
where:
bonds (distance) C4'-P energy: -18.110
bonds (distance) P-C4' energy: -23.639
flat angles C4'-P-C4' energy: -24.840
flat angles P-C4'-P energy: -19.459
tors. eta vs tors. theta energy: -28.157
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: 4
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -270.417121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.417121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.369227 (E_RNA)
where:
Base-Base interactions energy: -165.091
where: short stacking energy: -94.036
Base-Backbone interact. energy: -0.026
local terms energy: -107.252185
where:
bonds (distance) C4'-P energy: -19.438
bonds (distance) P-C4' energy: -24.652
flat angles C4'-P-C4' energy: -21.808
flat angles P-C4'-P energy: -15.704
tors. eta vs tors. theta energy: -25.651
Dist. restrs. and SS energy: 1.952 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -238.788902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.788902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.795774 (E_RNA)
where:
Base-Base interactions energy: -153.510
where: short stacking energy: -81.722
Base-Backbone interact. energy: -0.749
local terms energy: -84.536790
where:
bonds (distance) C4'-P energy: -21.026
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -22.369
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -15.481
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: 338
Temperature: 1.100000
Total energy: -249.925950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.925950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.617653 (E_RNA)
where:
Base-Base interactions energy: -155.490
where: short stacking energy: -75.438
Base-Backbone interact. energy: -0.528
local terms energy: -95.599181
where:
bonds (distance) C4'-P energy: -18.560
bonds (distance) P-C4' energy: -19.700
flat angles C4'-P-C4' energy: -19.479
flat angles P-C4'-P energy: -18.983
tors. eta vs tors. theta energy: -18.876
Dist. restrs. and SS energy: 1.692 (S_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: 338
Temperature: 1.150000
Total energy: -229.805569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.805569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.017717 (E_RNA)
where:
Base-Base interactions energy: -136.260
where: short stacking energy: -74.046
Base-Backbone interact. energy: 0.577
local terms energy: -94.334962
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -25.036
flat angles C4'-P-C4' energy: -19.682
flat angles P-C4'-P energy: -15.001
tors. eta vs tors. theta energy: -17.194
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: 7, replica: 6
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -229.004461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.004461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.211164 (E_RNA)
where:
Base-Base interactions energy: -130.190
where: short stacking energy: -64.662
Base-Backbone interact. energy: -1.270
local terms energy: -97.750811
where:
bonds (distance) C4'-P energy: -20.481
bonds (distance) P-C4' energy: -22.708
flat angles C4'-P-C4' energy: -22.447
flat angles P-C4'-P energy: -14.620
tors. eta vs tors. theta energy: -17.495
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: 5
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -225.910513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.910513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.252153 (E_RNA)
where:
Base-Base interactions energy: -134.413
where: short stacking energy: -70.528
Base-Backbone interact. energy: -0.425
local terms energy: -91.413852
where:
bonds (distance) C4'-P energy: -21.567
bonds (distance) P-C4' energy: -19.145
flat angles C4'-P-C4' energy: -19.081
flat angles P-C4'-P energy: -14.571
tors. eta vs tors. theta energy: -17.050
Dist. restrs. and SS energy: 0.342 (S_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: 338
Temperature: 1.300000
Total energy: -219.021811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.021811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.197189 (E_RNA)
where:
Base-Base interactions energy: -142.040
where: short stacking energy: -78.155
Base-Backbone interact. energy: -0.015
local terms energy: -77.142036
where:
bonds (distance) C4'-P energy: -6.131
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -22.151
flat angles P-C4'-P energy: -13.961
tors. eta vs tors. theta energy: -19.104
Dist. restrs. and SS energy: 0.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -199.291083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.291083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.301405 (E_RNA)
where:
Base-Base interactions energy: -124.950
where: short stacking energy: -70.900
Base-Backbone interact. energy: 0.144
local terms energy: -74.495615
where:
bonds (distance) C4'-P energy: -8.042
bonds (distance) P-C4' energy: -17.877
flat angles C4'-P-C4' energy: -21.741
flat angles P-C4'-P energy: -14.670
tors. eta vs tors. theta energy: -12.165
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: 1, replica: 9
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -293.988746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.988746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.041779 (E_RNA)
where:
Base-Base interactions energy: -180.820
where: short stacking energy: -110.741
Base-Backbone interact. energy: -0.085
local terms energy: -113.136520
where:
bonds (distance) C4'-P energy: -21.879
bonds (distance) P-C4' energy: -23.501
flat angles C4'-P-C4' energy: -24.510
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -33.203
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: 8
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -282.347085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.347085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.352909 (E_RNA)
where:
Base-Base interactions energy: -177.514
where: short stacking energy: -106.700
Base-Backbone interact. energy: -0.292
local terms energy: -104.546992
where:
bonds (distance) C4'-P energy: -22.951
bonds (distance) P-C4' energy: -21.101
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -13.653
tors. eta vs tors. theta energy: -30.471
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: 4
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -293.711982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.711982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.711982 (E_RNA)
where:
Base-Base interactions energy: -182.665
where: short stacking energy: -102.437
Base-Backbone interact. energy: -1.233
local terms energy: -109.813722
where:
bonds (distance) C4'-P energy: -22.874
bonds (distance) P-C4' energy: -24.579
flat angles C4'-P-C4' energy: -19.996
flat angles P-C4'-P energy: -17.916
tors. eta vs tors. theta energy: -24.449
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -253.173493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.173493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.185018 (E_RNA)
where:
Base-Base interactions energy: -150.596
where: short stacking energy: -86.089
Base-Backbone interact. energy: -1.067
local terms energy: -101.522012
where:
bonds (distance) C4'-P energy: -19.338
bonds (distance) P-C4' energy: -23.054
flat angles C4'-P-C4' energy: -21.697
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: -25.031
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: 1
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -253.366567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.366567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.237547 (E_RNA)
where:
Base-Base interactions energy: -146.562
where: short stacking energy: -72.409
Base-Backbone interact. energy: -0.203
local terms energy: -108.472968
where:
bonds (distance) C4'-P energy: -25.284
bonds (distance) P-C4' energy: -19.614
flat angles C4'-P-C4' energy: -22.818
flat angles P-C4'-P energy: -16.809
tors. eta vs tors. theta energy: -23.948
Dist. restrs. and SS energy: 1.871 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -252.371690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.371690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.702675 (E_RNA)
where:
Base-Base interactions energy: -154.740
where: short stacking energy: -82.967
Base-Backbone interact. energy: 0.295
local terms energy: -98.257795
where:
bonds (distance) C4'-P energy: -19.495
bonds (distance) P-C4' energy: -18.608
flat angles C4'-P-C4' energy: -22.413
flat angles P-C4'-P energy: -15.395
tors. eta vs tors. theta energy: -22.346
Dist. restrs. and SS energy: 0.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -227.578505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.578505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.642110 (E_RNA)
where:
Base-Base interactions energy: -137.735
where: short stacking energy: -71.897
Base-Backbone interact. energy: -0.131
local terms energy: -89.776385
where:
bonds (distance) C4'-P energy: -22.112
bonds (distance) P-C4' energy: -12.739
flat angles C4'-P-C4' energy: -22.065
flat angles P-C4'-P energy: -17.118
tors. eta vs tors. theta energy: -15.741
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: 339
Temperature: 1.250000
Total energy: -224.412196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.412196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.052236 (E_RNA)
where:
Base-Base interactions energy: -137.167
where: short stacking energy: -59.182
Base-Backbone interact. energy: -0.176
local terms energy: -87.708498
where:
bonds (distance) C4'-P energy: -20.123
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -19.438
flat angles P-C4'-P energy: -16.168
tors. eta vs tors. theta energy: -14.875
Dist. restrs. and SS energy: 0.640 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -223.867660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.867660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.881563 (E_RNA)
where:
Base-Base interactions energy: -132.769
where: short stacking energy: -61.545
Base-Backbone interact. energy: -0.291
local terms energy: -90.821985
where:
bonds (distance) C4'-P energy: -24.451
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -20.111
flat angles P-C4'-P energy: -17.388
tors. eta vs tors. theta energy: -11.076
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: 3
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -209.386228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.386228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.391955 (E_RNA)
where:
Base-Base interactions energy: -122.983
where: short stacking energy: -56.520
Base-Backbone interact. energy: -0.575
local terms energy: -86.834312
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -23.450
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -10.817
Dist. restrs. and SS energy: 1.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -283.303881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.303881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.398208 (E_RNA)
where:
Base-Base interactions energy: -174.977
where: short stacking energy: -96.511
Base-Backbone interact. energy: -0.009
local terms energy: -108.412575
where:
bonds (distance) C4'-P energy: -21.979
bonds (distance) P-C4' energy: -24.095
flat angles C4'-P-C4' energy: -23.241
flat angles P-C4'-P energy: -14.702
tors. eta vs tors. theta energy: -24.396
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: 8
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -275.916592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.916592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.084168 (E_RNA)
where:
Base-Base interactions energy: -173.191
where: short stacking energy: -102.738
Base-Backbone interact. energy: -0.014
local terms energy: -102.879505
where:
bonds (distance) C4'-P energy: -20.584
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -25.260
flat angles P-C4'-P energy: -14.320
tors. eta vs tors. theta energy: -26.141
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: 3, replica: 2
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -264.800303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.800303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.880788 (E_RNA)
where:
Base-Base interactions energy: -159.672
where: short stacking energy: -85.052
Base-Backbone interact. energy: -0.125
local terms energy: -105.083291
where:
bonds (distance) C4'-P energy: -21.333
bonds (distance) P-C4' energy: -18.792
flat angles C4'-P-C4' energy: -26.726
flat angles P-C4'-P energy: -16.800
tors. eta vs tors. theta energy: -21.432
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -288.186140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.186140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.250249 (E_RNA)
where:
Base-Base interactions energy: -178.487
where: short stacking energy: -91.068
Base-Backbone interact. energy: -0.096
local terms energy: -109.667370
where:
bonds (distance) C4'-P energy: -25.031
bonds (distance) P-C4' energy: -20.292
flat angles C4'-P-C4' energy: -25.727
flat angles P-C4'-P energy: -13.860
tors. eta vs tors. theta energy: -24.758
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: 340
Temperature: 1.100000
Total energy: -251.238078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.238078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.834023 (E_RNA)
where:
Base-Base interactions energy: -152.554
where: short stacking energy: -79.578
Base-Backbone interact. energy: -0.257
local terms energy: -100.023380
where:
bonds (distance) C4'-P energy: -23.155
bonds (distance) P-C4' energy: -20.708
flat angles C4'-P-C4' energy: -19.699
flat angles P-C4'-P energy: -16.006
tors. eta vs tors. theta energy: -20.456
Dist. restrs. and SS energy: 1.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -238.195878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.195878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.753351 (E_RNA)
where:
Base-Base interactions energy: -144.106
where: short stacking energy: -73.787
Base-Backbone interact. energy: -0.638
local terms energy: -94.009962
where:
bonds (distance) C4'-P energy: -23.130
bonds (distance) P-C4' energy: -18.761
flat angles C4'-P-C4' energy: -26.407
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: -17.450
Dist. restrs. and SS energy: 0.557 (S_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: 340
Temperature: 1.200000
Total energy: -216.625465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.625465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.959349 (E_RNA)
where:
Base-Base interactions energy: -137.821
where: short stacking energy: -69.267
Base-Backbone interact. energy: 0.479
local terms energy: -79.617527
where:
bonds (distance) C4'-P energy: -20.294
bonds (distance) P-C4' energy: -16.549
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -14.281
Dist. restrs. and SS energy: 0.334 (S_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: 340
Temperature: 1.250000
Total energy: -208.219923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.219923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.572640 (E_RNA)
where:
Base-Base interactions energy: -122.490
where: short stacking energy: -58.756
Base-Backbone interact. energy: 0.089
local terms energy: -86.171491
where:
bonds (distance) C4'-P energy: -22.775
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -20.034
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -12.022
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: 3
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -198.560470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.560470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.654563 (E_RNA)
where:
Base-Base interactions energy: -124.694
where: short stacking energy: -62.765
Base-Backbone interact. energy: -0.712
local terms energy: -73.248345
where:
bonds (distance) C4'-P energy: -22.499
bonds (distance) P-C4' energy: -12.080
flat angles C4'-P-C4' energy: -9.735
flat angles P-C4'-P energy: -14.878
tors. eta vs tors. theta energy: -14.057
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -205.308600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.308600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.676011 (E_RNA)
where:
Base-Base interactions energy: -127.057
where: short stacking energy: -65.338
Base-Backbone interact. energy: -0.127
local terms energy: -78.491660
where:
bonds (distance) C4'-P energy: -21.360
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -9.463
flat angles P-C4'-P energy: -13.657
tors. eta vs tors. theta energy: -17.521
Dist. restrs. and SS energy: 0.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -285.456582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.456582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.522552 (E_RNA)
where:
Base-Base interactions energy: -170.105
where: short stacking energy: -101.808
Base-Backbone interact. energy: -0.057
local terms energy: -115.359978
where:
bonds (distance) C4'-P energy: -22.790
bonds (distance) P-C4' energy: -23.109
flat angles C4'-P-C4' energy: -23.668
flat angles P-C4'-P energy: -18.805
tors. eta vs tors. theta energy: -26.989
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -270.630360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.630360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.704717 (E_RNA)
where:
Base-Base interactions energy: -160.869
where: short stacking energy: -93.269
Base-Backbone interact. energy: -0.100
local terms energy: -109.735616
where:
bonds (distance) C4'-P energy: -23.202
bonds (distance) P-C4' energy: -20.333
flat angles C4'-P-C4' energy: -21.584
flat angles P-C4'-P energy: -16.867
tors. eta vs tors. theta energy: -27.749
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: 8
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -270.779568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.779568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.783086 (E_RNA)
where:
Base-Base interactions energy: -166.515
where: short stacking energy: -98.159
Base-Backbone interact. energy: -0.103
local terms energy: -104.165294
where:
bonds (distance) C4'-P energy: -19.272
bonds (distance) P-C4' energy: -21.684
flat angles C4'-P-C4' energy: -21.460
flat angles P-C4'-P energy: -15.781
tors. eta vs tors. theta energy: -25.968
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: 4
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -267.120111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.120111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.165833 (E_RNA)
where:
Base-Base interactions energy: -160.468
where: short stacking energy: -92.189
Base-Backbone interact. energy: -0.007
local terms energy: -106.690474
where:
bonds (distance) C4'-P energy: -16.026
bonds (distance) P-C4' energy: -18.744
flat angles C4'-P-C4' energy: -23.803
flat angles P-C4'-P energy: -21.448
tors. eta vs tors. theta energy: -26.669
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: 341
Temperature: 1.100000
Total energy: -249.123588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.123588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.185650 (E_RNA)
where:
Base-Base interactions energy: -151.287
where: short stacking energy: -79.223
Base-Backbone interact. energy: -0.211
local terms energy: -97.687830
where:
bonds (distance) C4'-P energy: -18.426
bonds (distance) P-C4' energy: -25.233
flat angles C4'-P-C4' energy: -22.492
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: -23.290
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -234.961653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.961653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.890589 (E_RNA)
where:
Base-Base interactions energy: -135.420
where: short stacking energy: -64.528
Base-Backbone interact. energy: -0.105
local terms energy: -100.365493
where:
bonds (distance) C4'-P energy: -22.315
bonds (distance) P-C4' energy: -24.843
flat angles C4'-P-C4' energy: -22.499
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: -18.562
Dist. restrs. and SS energy: 0.929 (S_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: 341
Temperature: 1.200000
Total energy: -228.465865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.465865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.902832 (E_RNA)
where:
Base-Base interactions energy: -139.920
where: short stacking energy: -78.206
Base-Backbone interact. energy: 0.326
local terms energy: -89.308099
where:
bonds (distance) C4'-P energy: -17.419
bonds (distance) P-C4' energy: -21.806
flat angles C4'-P-C4' energy: -20.792
flat angles P-C4'-P energy: -12.116
tors. eta vs tors. theta energy: -17.175
Dist. restrs. and SS energy: 0.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -201.912891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.912891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.150625 (E_RNA)
where:
Base-Base interactions energy: -123.763
where: short stacking energy: -62.430
Base-Backbone interact. energy: 0.174
local terms energy: -78.562307
where:
bonds (distance) C4'-P energy: -19.972
bonds (distance) P-C4' energy: -18.061
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -12.240
tors. eta vs tors. theta energy: -12.229
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: 10
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -211.934274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.934274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.048735 (E_RNA)
where:
Base-Base interactions energy: -138.165
where: short stacking energy: -69.410
Base-Backbone interact. energy: -0.258
local terms energy: -73.626461
where:
bonds (distance) C4'-P energy: -18.313
bonds (distance) P-C4' energy: -20.278
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -11.334
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -217.136630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.136630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.204233 (E_RNA)
where:
Base-Base interactions energy: -134.711
where: short stacking energy: -68.502
Base-Backbone interact. energy: 0.631
local terms energy: -83.123769
where:
bonds (distance) C4'-P energy: -20.924
bonds (distance) P-C4' energy: -21.497
flat angles C4'-P-C4' energy: -19.622
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -11.196
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: 9
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -300.313331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.313331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.322042 (E_RNA)
where:
Base-Base interactions energy: -185.163
where: short stacking energy: -99.129
Base-Backbone interact. energy: -0.138
local terms energy: -115.020179
where:
bonds (distance) C4'-P energy: -23.515
bonds (distance) P-C4' energy: -23.438
flat angles C4'-P-C4' energy: -23.222
flat angles P-C4'-P energy: -16.002
tors. eta vs tors. theta energy: -28.843
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: 2, replica: 2
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -274.002592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.002592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.034933 (E_RNA)
where:
Base-Base interactions energy: -166.138
where: short stacking energy: -97.830
Base-Backbone interact. energy: -0.111
local terms energy: -107.785687
where:
bonds (distance) C4'-P energy: -18.389
bonds (distance) P-C4' energy: -21.922
flat angles C4'-P-C4' energy: -24.519
flat angles P-C4'-P energy: -15.712
tors. eta vs tors. theta energy: -27.244
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: 8
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -267.275453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.275453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.295050 (E_RNA)
where:
Base-Base interactions energy: -163.813
where: short stacking energy: -84.891
Base-Backbone interact. energy: -0.094
local terms energy: -103.388529
where:
bonds (distance) C4'-P energy: -18.269
bonds (distance) P-C4' energy: -20.389
flat angles C4'-P-C4' energy: -21.845
flat angles P-C4'-P energy: -17.176
tors. eta vs tors. theta energy: -25.709
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: 342
Temperature: 1.050000
Total energy: -275.112223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.112223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.112223 (E_RNA)
where:
Base-Base interactions energy: -162.485
where: short stacking energy: -94.625
Base-Backbone interact. energy: -0.092
local terms energy: -112.534626
where:
bonds (distance) C4'-P energy: -20.385
bonds (distance) P-C4' energy: -24.187
flat angles C4'-P-C4' energy: -21.711
flat angles P-C4'-P energy: -18.465
tors. eta vs tors. theta energy: -27.786
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -245.394408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.394408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.394408 (E_RNA)
where:
Base-Base interactions energy: -143.235
where: short stacking energy: -75.565
Base-Backbone interact. energy: -0.022
local terms energy: -102.137176
where:
bonds (distance) C4'-P energy: -19.975
bonds (distance) P-C4' energy: -22.021
flat angles C4'-P-C4' energy: -22.194
flat angles P-C4'-P energy: -16.097
tors. eta vs tors. theta energy: -21.851
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -231.961282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.961282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.961570 (E_RNA)
where:
Base-Base interactions energy: -139.333
where: short stacking energy: -74.993
Base-Backbone interact. energy: -0.039
local terms energy: -92.588974
where:
bonds (distance) C4'-P energy: -20.833
bonds (distance) P-C4' energy: -20.260
flat angles C4'-P-C4' energy: -22.585
flat angles P-C4'-P energy: -15.833
tors. eta vs tors. theta energy: -13.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -235.595019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.595019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.621008 (E_RNA)
where:
Base-Base interactions energy: -152.551
where: short stacking energy: -84.480
Base-Backbone interact. energy: -0.645
local terms energy: -82.425404
where:
bonds (distance) C4'-P energy: -20.318
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -17.058
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: 3
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -212.275855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.275855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.275855 (E_RNA)
where:
Base-Base interactions energy: -129.383
where: short stacking energy: -59.061
Base-Backbone interact. energy: -2.393
local terms energy: -80.500545
where:
bonds (distance) C4'-P energy: -15.773
bonds (distance) P-C4' energy: -19.863
flat angles C4'-P-C4' energy: -20.263
flat angles P-C4'-P energy: -12.913
tors. eta vs tors. theta energy: -11.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -201.917985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.917985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.619523 (E_RNA)
where:
Base-Base interactions energy: -126.300
where: short stacking energy: -59.555
Base-Backbone interact. energy: 0.845
local terms energy: -77.164577
where:
bonds (distance) C4'-P energy: -16.462
bonds (distance) P-C4' energy: -18.064
flat angles C4'-P-C4' energy: -20.478
flat angles P-C4'-P energy: -14.443
tors. eta vs tors. theta energy: -7.718
Dist. restrs. and SS energy: 0.702 (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: 5
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -202.110938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.110938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.498087 (E_RNA)
where:
Base-Base interactions energy: -117.172
where: short stacking energy: -48.797
Base-Backbone interact. energy: -2.297
local terms energy: -83.029343
where:
bonds (distance) C4'-P energy: -19.842
bonds (distance) P-C4' energy: -17.885
flat angles C4'-P-C4' energy: -20.015
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: -13.014
Dist. restrs. and SS energy: 0.387 (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: 9
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -305.989239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.989239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.989239 (E_RNA)
where:
Base-Base interactions energy: -188.173
where: short stacking energy: -95.603
Base-Backbone interact. energy: -0.234
local terms energy: -117.583055
where:
bonds (distance) C4'-P energy: -23.395
bonds (distance) P-C4' energy: -21.170
flat angles C4'-P-C4' energy: -25.890
flat angles P-C4'-P energy: -20.346
tors. eta vs tors. theta energy: -26.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -291.406228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.406228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.449548 (E_RNA)
where:
Base-Base interactions energy: -174.274
where: short stacking energy: -102.236
Base-Backbone interact. energy: -0.042
local terms energy: -117.133305
where:
bonds (distance) C4'-P energy: -22.853
bonds (distance) P-C4' energy: -23.019
flat angles C4'-P-C4' energy: -24.084
flat angles P-C4'-P energy: -18.926
tors. eta vs tors. theta energy: -28.250
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: 8
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -287.226335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.226335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.250190 (E_RNA)
where:
Base-Base interactions energy: -173.839
where: short stacking energy: -108.453
Base-Backbone interact. energy: -0.170
local terms energy: -113.240766
where:
bonds (distance) C4'-P energy: -16.942
bonds (distance) P-C4' energy: -23.794
flat angles C4'-P-C4' energy: -24.051
flat angles P-C4'-P energy: -14.892
tors. eta vs tors. theta energy: -33.562
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -259.118336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.118336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.136175 (E_RNA)
where:
Base-Base interactions energy: -152.354
where: short stacking energy: -87.075
Base-Backbone interact. energy: -0.147
local terms energy: -106.635511
where:
bonds (distance) C4'-P energy: -19.495
bonds (distance) P-C4' energy: -25.110
flat angles C4'-P-C4' energy: -24.960
flat angles P-C4'-P energy: -15.731
tors. eta vs tors. theta energy: -21.339
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: 4
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -257.726137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.726137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.075454 (E_RNA)
where:
Base-Base interactions energy: -162.956
where: short stacking energy: -87.174
Base-Backbone interact. energy: -0.092
local terms energy: -97.027518
where:
bonds (distance) C4'-P energy: -19.946
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -20.700
flat angles P-C4'-P energy: -15.172
tors. eta vs tors. theta energy: -23.233
Dist. restrs. and SS energy: 2.349 (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: 7
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -230.303739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.303739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.306247 (E_RNA)
where:
Base-Base interactions energy: -144.611
where: short stacking energy: -76.566
Base-Backbone interact. energy: 0.303
local terms energy: -85.998683
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -18.319
flat angles C4'-P-C4' energy: -23.600
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -18.993
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: 1
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -221.900395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.900395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.074828 (E_RNA)
where:
Base-Base interactions energy: -132.742
where: short stacking energy: -64.644
Base-Backbone interact. energy: 0.850
local terms energy: -90.183101
where:
bonds (distance) C4'-P energy: -18.544
bonds (distance) P-C4' energy: -20.981
flat angles C4'-P-C4' energy: -23.808
flat angles P-C4'-P energy: -15.882
tors. eta vs tors. theta energy: -10.968
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: 10
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -215.644284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.644284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.946802 (E_RNA)
where:
Base-Base interactions energy: -123.209
where: short stacking energy: -56.614
Base-Backbone interact. energy: -0.313
local terms energy: -94.424791
where:
bonds (distance) C4'-P energy: -21.764
bonds (distance) P-C4' energy: -22.917
flat angles C4'-P-C4' energy: -23.166
flat angles P-C4'-P energy: -13.802
tors. eta vs tors. theta energy: -12.776
Dist. restrs. and SS energy: 2.303 (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: 3
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -209.256420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.256420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.301224 (E_RNA)
where:
Base-Base interactions energy: -127.761
where: short stacking energy: -65.268
Base-Backbone interact. energy: -0.161
local terms energy: -81.379166
where:
bonds (distance) C4'-P energy: -19.657
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -22.732
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -14.578
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: 5
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -203.375824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.375824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.801255 (E_RNA)
where:
Base-Base interactions energy: -118.409
where: short stacking energy: -65.987
Base-Backbone interact. energy: -0.161
local terms energy: -85.231748
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -18.112
flat angles C4'-P-C4' energy: -23.030
flat angles P-C4'-P energy: -15.481
tors. eta vs tors. theta energy: -15.101
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: 1, replica: 2
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -295.096595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.096595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.190042 (E_RNA)
where:
Base-Base interactions energy: -171.200
where: short stacking energy: -94.940
Base-Backbone interact. energy: -1.090
local terms energy: -122.899474
where:
bonds (distance) C4'-P energy: -25.145
bonds (distance) P-C4' energy: -22.255
flat angles C4'-P-C4' energy: -27.401
flat angles P-C4'-P energy: -19.069
tors. eta vs tors. theta energy: -29.030
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: 344
Temperature: 0.950000
Total energy: -312.253856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.253856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.350059 (E_RNA)
where:
Base-Base interactions energy: -193.022
where: short stacking energy: -115.913
Base-Backbone interact. energy: -0.090
local terms energy: -119.238046
where:
bonds (distance) C4'-P energy: -22.314
bonds (distance) P-C4' energy: -22.112
flat angles C4'-P-C4' energy: -22.093
flat angles P-C4'-P energy: -16.839
tors. eta vs tors. theta energy: -35.880
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: 6
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -270.623636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.623636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.733471 (E_RNA)
where:
Base-Base interactions energy: -167.304
where: short stacking energy: -95.858
Base-Backbone interact. energy: -0.098
local terms energy: -103.332263
where:
bonds (distance) C4'-P energy: -21.597
bonds (distance) P-C4' energy: -22.920
flat angles C4'-P-C4' energy: -24.107
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -23.029
Dist. restrs. and SS energy: 0.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -266.368713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.368713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.368713 (E_RNA)
where:
Base-Base interactions energy: -164.827
where: short stacking energy: -93.261
Base-Backbone interact. energy: -0.275
local terms energy: -101.265893
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -23.950
flat angles C4'-P-C4' energy: -23.583
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -28.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -273.124539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.124539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.350311 (E_RNA)
where:
Base-Base interactions energy: -163.799
where: short stacking energy: -97.790
Base-Backbone interact. energy: -0.525
local terms energy: -109.025942
where:
bonds (distance) C4'-P energy: -23.698
bonds (distance) P-C4' energy: -19.276
flat angles C4'-P-C4' energy: -23.788
flat angles P-C4'-P energy: -13.197
tors. eta vs tors. theta energy: -29.066
Dist. restrs. and SS energy: 0.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -214.993351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.993351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.998877 (E_RNA)
where:
Base-Base interactions energy: -124.647
where: short stacking energy: -67.546
Base-Backbone interact. energy: -2.286
local terms energy: -88.066432
where:
bonds (distance) C4'-P energy: -15.235
bonds (distance) P-C4' energy: -20.146
flat angles C4'-P-C4' energy: -22.580
flat angles P-C4'-P energy: -13.168
tors. eta vs tors. theta energy: -16.937
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: 10
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -230.674630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.674630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.708546 (E_RNA)
where:
Base-Base interactions energy: -142.308
where: short stacking energy: -81.759
Base-Backbone interact. energy: -0.035
local terms energy: -88.366053
where:
bonds (distance) C4'-P energy: -19.724
bonds (distance) P-C4' energy: -19.359
flat angles C4'-P-C4' energy: -23.003
flat angles P-C4'-P energy: -7.026
tors. eta vs tors. theta energy: -19.253
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: 1
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -210.189038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.189038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.196253 (E_RNA)
where:
Base-Base interactions energy: -127.087
where: short stacking energy: -66.607
Base-Backbone interact. energy: -0.710
local terms energy: -82.398773
where:
bonds (distance) C4'-P energy: -18.863
bonds (distance) P-C4' energy: -22.611
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -13.622
tors. eta vs tors. theta energy: -13.537
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: 5
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -222.442635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.442635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.268640 (E_RNA)
where:
Base-Base interactions energy: -132.963
where: short stacking energy: -67.488
Base-Backbone interact. energy: -0.090
local terms energy: -90.216383
where:
bonds (distance) C4'-P energy: -18.638
bonds (distance) P-C4' energy: -23.514
flat angles C4'-P-C4' energy: -16.445
flat angles P-C4'-P energy: -13.774
tors. eta vs tors. theta energy: -17.846
Dist. restrs. and SS energy: 0.826 (S_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: 344
Temperature: 1.350000
Total energy: -195.924324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.924324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.983317 (E_RNA)
where:
Base-Base interactions energy: -117.561
where: short stacking energy: -51.919
Base-Backbone interact. energy: -0.141
local terms energy: -78.280807
where:
bonds (distance) C4'-P energy: -11.534
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -21.710
flat angles P-C4'-P energy: -14.132
tors. eta vs tors. theta energy: -13.653
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: 345
Temperature: 0.900000
Total energy: -308.674636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.674636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.719199 (E_RNA)
where:
Base-Base interactions energy: -187.458
where: short stacking energy: -116.930
Base-Backbone interact. energy: -0.238
local terms energy: -121.022730
where:
bonds (distance) C4'-P energy: -23.201
bonds (distance) P-C4' energy: -24.306
flat angles C4'-P-C4' energy: -25.392
flat angles P-C4'-P energy: -12.819
tors. eta vs tors. theta energy: -35.305
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -311.549697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.549697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.576713 (E_RNA)
where:
Base-Base interactions energy: -188.683
where: short stacking energy: -102.732
Base-Backbone interact. energy: -0.001
local terms energy: -123.892584
where:
bonds (distance) C4'-P energy: -23.841
bonds (distance) P-C4' energy: -23.617
flat angles C4'-P-C4' energy: -22.205
flat angles P-C4'-P energy: -16.776
tors. eta vs tors. theta energy: -37.453
Dist. restrs. and SS energy: 1.027 (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: 345
Temperature: 1.000000
Total energy: -296.236081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.236081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.371437 (E_RNA)
where:
Base-Base interactions energy: -174.850
where: short stacking energy: -112.182
Base-Backbone interact. energy: -0.034
local terms energy: -121.487628
where:
bonds (distance) C4'-P energy: -24.318
bonds (distance) P-C4' energy: -24.794
flat angles C4'-P-C4' energy: -21.428
flat angles P-C4'-P energy: -17.132
tors. eta vs tors. theta energy: -33.816
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: 4
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -273.122064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.122064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.163122 (E_RNA)
where:
Base-Base interactions energy: -172.573
where: short stacking energy: -95.689
Base-Backbone interact. energy: 0.358
local terms energy: -100.947967
where:
bonds (distance) C4'-P energy: -23.035
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -21.913
flat angles P-C4'-P energy: -14.344
tors. eta vs tors. theta energy: -26.246
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -246.482158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.482158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.482158 (E_RNA)
where:
Base-Base interactions energy: -148.028
where: short stacking energy: -76.614
Base-Backbone interact. energy: -0.091
local terms energy: -98.362752
where:
bonds (distance) C4'-P energy: -21.582
bonds (distance) P-C4' energy: -18.342
flat angles C4'-P-C4' energy: -22.525
flat angles P-C4'-P energy: -17.562
tors. eta vs tors. theta energy: -18.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -240.406839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.406839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.688023 (E_RNA)
where:
Base-Base interactions energy: -151.031
where: short stacking energy: -82.183
Base-Backbone interact. energy: -0.023
local terms energy: -89.633803
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -20.556
flat angles C4'-P-C4' energy: -18.819
flat angles P-C4'-P energy: -13.773
tors. eta vs tors. theta energy: -21.362
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: 7, replica: 7
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -216.555532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.555532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.580880 (E_RNA)
where:
Base-Base interactions energy: -121.992
where: short stacking energy: -55.243
Base-Backbone interact. energy: -1.147
local terms energy: -93.441422
where:
bonds (distance) C4'-P energy: -26.189
bonds (distance) P-C4' energy: -23.067
flat angles C4'-P-C4' energy: -21.890
flat angles P-C4'-P energy: -15.207
tors. eta vs tors. theta energy: -7.087
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -210.687236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.687236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.714961 (E_RNA)
where:
Base-Base interactions energy: -129.121
where: short stacking energy: -63.771
Base-Backbone interact. energy: -0.077
local terms energy: -81.517301
where:
bonds (distance) C4'-P energy: -17.913
bonds (distance) P-C4' energy: -21.410
flat angles C4'-P-C4' energy: -20.707
flat angles P-C4'-P energy: -12.043
tors. eta vs tors. theta energy: -9.444
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -217.383210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.383210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.383210 (E_RNA)
where:
Base-Base interactions energy: -133.753
where: short stacking energy: -67.172
Base-Backbone interact. energy: -0.524
local terms energy: -83.106025
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -21.897
flat angles C4'-P-C4' energy: -21.982
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -15.245
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -194.493947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.493947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.502848 (E_RNA)
where:
Base-Base interactions energy: -126.595
where: short stacking energy: -61.350
Base-Backbone interact. energy: -0.057
local terms energy: -67.850577
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -15.919
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -12.509
tors. eta vs tors. theta energy: -10.012
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: 2
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -312.067918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.067918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.098694 (E_RNA)
where:
Base-Base interactions energy: -198.390
where: short stacking energy: -126.922
Base-Backbone interact. energy: -0.065
local terms energy: -113.643907
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -21.914
flat angles C4'-P-C4' energy: -25.362
flat angles P-C4'-P energy: -14.700
tors. eta vs tors. theta energy: -34.769
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: 9
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -293.815282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.815282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.815282 (E_RNA)
where:
Base-Base interactions energy: -182.236
where: short stacking energy: -103.611
Base-Backbone interact. energy: -0.000
local terms energy: -111.579163
where:
bonds (distance) C4'-P energy: -21.884
bonds (distance) P-C4' energy: -23.193
flat angles C4'-P-C4' energy: -19.121
flat angles P-C4'-P energy: -19.192
tors. eta vs tors. theta energy: -28.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -268.856769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.856769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.040305 (E_RNA)
where:
Base-Base interactions energy: -167.595
where: short stacking energy: -93.794
Base-Backbone interact. energy: -0.027
local terms energy: -101.418035
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -20.359
flat angles P-C4'-P energy: -17.669
tors. eta vs tors. theta energy: -29.868
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: 4, replica: 4
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -251.982339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.982339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.311273 (E_RNA)
where:
Base-Base interactions energy: -162.649
where: short stacking energy: -85.962
Base-Backbone interact. energy: -0.062
local terms energy: -90.599606
where:
bonds (distance) C4'-P energy: -19.111
bonds (distance) P-C4' energy: -24.026
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -13.475
tors. eta vs tors. theta energy: -19.122
Dist. restrs. and SS energy: 1.329 (S_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: 346
Temperature: 1.100000
Total energy: -246.564193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.564193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.991988 (E_RNA)
where:
Base-Base interactions energy: -151.628
where: short stacking energy: -81.697
Base-Backbone interact. energy: -1.012
local terms energy: -94.351164
where:
bonds (distance) C4'-P energy: -18.318
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -26.183
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -19.404
Dist. restrs. and SS energy: 0.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -259.771489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.771489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.899388 (E_RNA)
where:
Base-Base interactions energy: -162.012
where: short stacking energy: -100.213
Base-Backbone interact. energy: -0.001
local terms energy: -97.886345
where:
bonds (distance) C4'-P energy: -18.567
bonds (distance) P-C4' energy: -11.056
flat angles C4'-P-C4' energy: -25.846
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -31.682
Dist. restrs. and SS energy: 0.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -229.901754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.901754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.965952 (E_RNA)
where:
Base-Base interactions energy: -136.362
where: short stacking energy: -67.986
Base-Backbone interact. energy: -0.121
local terms energy: -93.483012
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -26.117
flat angles C4'-P-C4' energy: -21.770
flat angles P-C4'-P energy: -14.883
tors. eta vs tors. theta energy: -14.285
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: 346
Temperature: 1.250000
Total energy: -228.125002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.125002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.572825 (E_RNA)
where:
Base-Base interactions energy: -136.865
where: short stacking energy: -74.498
Base-Backbone interact. energy: -0.354
local terms energy: -91.354060
where:
bonds (distance) C4'-P energy: -21.739
bonds (distance) P-C4' energy: -18.780
flat angles C4'-P-C4' energy: -19.639
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -19.209
Dist. restrs. and SS energy: 0.448 (S_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: 346
Temperature: 1.300000
Total energy: -200.189098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.189098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.300655 (E_RNA)
where:
Base-Base interactions energy: -117.781
where: short stacking energy: -53.887
Base-Backbone interact. energy: -0.480
local terms energy: -82.040465
where:
bonds (distance) C4'-P energy: -20.423
bonds (distance) P-C4' energy: -21.039
flat angles C4'-P-C4' energy: -21.548
flat angles P-C4'-P energy: -5.453
tors. eta vs tors. theta energy: -13.577
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -191.389668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.389668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.439912 (E_RNA)
where:
Base-Base interactions energy: -123.049
where: short stacking energy: -55.007
Base-Backbone interact. energy: -0.163
local terms energy: -68.228461
where:
bonds (distance) C4'-P energy: -18.447
bonds (distance) P-C4' energy: -19.235
flat angles C4'-P-C4' energy: -19.053
flat angles P-C4'-P energy: -4.716
tors. eta vs tors. theta energy: -6.776
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: 2
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -303.803628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.803628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.849295 (E_RNA)
where:
Base-Base interactions energy: -189.206
where: short stacking energy: -102.795
Base-Backbone interact. energy: 0.585
local terms energy: -115.227525
where:
bonds (distance) C4'-P energy: -21.968
bonds (distance) P-C4' energy: -21.201
flat angles C4'-P-C4' energy: -25.898
flat angles P-C4'-P energy: -18.040
tors. eta vs tors. theta energy: -28.121
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: 9
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -303.948039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.948039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.012342 (E_RNA)
where:
Base-Base interactions energy: -191.374
where: short stacking energy: -114.643
Base-Backbone interact. energy: 2.000
local terms energy: -114.638423
where:
bonds (distance) C4'-P energy: -22.282
bonds (distance) P-C4' energy: -21.783
flat angles C4'-P-C4' energy: -19.906
flat angles P-C4'-P energy: -18.771
tors. eta vs tors. theta energy: -31.896
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: 347
Temperature: 1.000000
Total energy: -255.123744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.123744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.325568 (E_RNA)
where:
Base-Base interactions energy: -155.165
where: short stacking energy: -81.883
Base-Backbone interact. energy: -0.420
local terms energy: -99.740849
where:
bonds (distance) C4'-P energy: -20.771
bonds (distance) P-C4' energy: -20.838
flat angles C4'-P-C4' energy: -27.087
flat angles P-C4'-P energy: -15.795
tors. eta vs tors. theta energy: -15.250
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: 10
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -269.491310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.491310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.590612 (E_RNA)
where:
Base-Base interactions energy: -167.553
where: short stacking energy: -98.289
Base-Backbone interact. energy: -0.109
local terms energy: -101.929143
where:
bonds (distance) C4'-P energy: -22.704
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -23.149
flat angles P-C4'-P energy: -14.934
tors. eta vs tors. theta energy: -23.002
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: 347
Temperature: 1.100000
Total energy: -248.384822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.384822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.401917 (E_RNA)
where:
Base-Base interactions energy: -153.961
where: short stacking energy: -79.928
Base-Backbone interact. energy: -0.245
local terms energy: -94.195705
where:
bonds (distance) C4'-P energy: -20.895
bonds (distance) P-C4' energy: -21.313
flat angles C4'-P-C4' energy: -19.014
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -20.870
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -250.071136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.071136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.210903 (E_RNA)
where:
Base-Base interactions energy: -162.537
where: short stacking energy: -84.895
Base-Backbone interact. energy: -0.047
local terms energy: -87.627053
where:
bonds (distance) C4'-P energy: -19.160
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -22.528
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -17.815
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: 7, replica: 5
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -228.660999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.660999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.722918 (E_RNA)
where:
Base-Base interactions energy: -145.200
where: short stacking energy: -74.032
Base-Backbone interact. energy: -0.330
local terms energy: -83.193178
where:
bonds (distance) C4'-P energy: -18.350
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -15.077
tors. eta vs tors. theta energy: -19.304
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: 8, replica: 7
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -226.959072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.959072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.029936 (E_RNA)
where:
Base-Base interactions energy: -136.084
where: short stacking energy: -78.471
Base-Backbone interact. energy: -0.565
local terms energy: -90.380150
where:
bonds (distance) C4'-P energy: -18.762
bonds (distance) P-C4' energy: -20.298
flat angles C4'-P-C4' energy: -21.523
flat angles P-C4'-P energy: -14.234
tors. eta vs tors. theta energy: -15.562
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: 1
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -227.632820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.632820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.726279 (E_RNA)
where:
Base-Base interactions energy: -139.255
where: short stacking energy: -77.384
Base-Backbone interact. energy: -0.041
local terms energy: -88.430424
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -22.336
flat angles C4'-P-C4' energy: -18.997
flat angles P-C4'-P energy: -16.358
tors. eta vs tors. theta energy: -14.612
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: 3
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -186.510352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.510352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.161103 (E_RNA)
where:
Base-Base interactions energy: -107.720
where: short stacking energy: -51.763
Base-Backbone interact. energy: -0.254
local terms energy: -79.186529
where:
bonds (distance) C4'-P energy: -22.684
bonds (distance) P-C4' energy: -21.386
flat angles C4'-P-C4' energy: -17.234
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -7.761
Dist. restrs. and SS energy: 0.651 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -308.156459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.156459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.182025 (E_RNA)
where:
Base-Base interactions energy: -187.310
where: short stacking energy: -112.984
Base-Backbone interact. energy: -0.043
local terms energy: -120.829614
where:
bonds (distance) C4'-P energy: -20.898
bonds (distance) P-C4' energy: -22.624
flat angles C4'-P-C4' energy: -25.241
flat angles P-C4'-P energy: -18.784
tors. eta vs tors. theta energy: -33.282
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: 348
Temperature: 0.950000
Total energy: -286.785111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.785111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.377014 (E_RNA)
where:
Base-Base interactions energy: -181.908
where: short stacking energy: -100.443
Base-Backbone interact. energy: -0.038
local terms energy: -105.430646
where:
bonds (distance) C4'-P energy: -22.041
bonds (distance) P-C4' energy: -20.651
flat angles C4'-P-C4' energy: -22.517
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -28.997
Dist. restrs. and SS energy: 0.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -269.419004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.419004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.686231 (E_RNA)
where:
Base-Base interactions energy: -159.921
where: short stacking energy: -93.716
Base-Backbone interact. energy: -0.219
local terms energy: -109.546603
where:
bonds (distance) C4'-P energy: -19.164
bonds (distance) P-C4' energy: -20.275
flat angles C4'-P-C4' energy: -22.022
flat angles P-C4'-P energy: -18.347
tors. eta vs tors. theta energy: -29.738
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: 6
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -247.623260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.623260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.630119 (E_RNA)
where:
Base-Base interactions energy: -150.582
where: short stacking energy: -77.213
Base-Backbone interact. energy: -0.360
local terms energy: -96.687796
where:
bonds (distance) C4'-P energy: -18.137
bonds (distance) P-C4' energy: -23.064
flat angles C4'-P-C4' energy: -19.697
flat angles P-C4'-P energy: -16.898
tors. eta vs tors. theta energy: -18.891
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -240.133211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.133211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.172836 (E_RNA)
where:
Base-Base interactions energy: -151.639
where: short stacking energy: -80.488
Base-Backbone interact. energy: -0.496
local terms energy: -88.038183
where:
bonds (distance) C4'-P energy: -17.910
bonds (distance) P-C4' energy: -18.970
flat angles C4'-P-C4' energy: -19.748
flat angles P-C4'-P energy: -15.157
tors. eta vs tors. theta energy: -16.253
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -231.961082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.961082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.055994 (E_RNA)
where:
Base-Base interactions energy: -138.461
where: short stacking energy: -71.143
Base-Backbone interact. energy: -0.185
local terms energy: -93.409596
where:
bonds (distance) C4'-P energy: -19.071
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -17.942
flat angles P-C4'-P energy: -15.462
tors. eta vs tors. theta energy: -22.338
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: 7
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -224.423568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.423568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.845360 (E_RNA)
where:
Base-Base interactions energy: -128.633
where: short stacking energy: -59.917
Base-Backbone interact. energy: -0.063
local terms energy: -96.149360
where:
bonds (distance) C4'-P energy: -24.955
bonds (distance) P-C4' energy: -25.819
flat angles C4'-P-C4' energy: -19.972
flat angles P-C4'-P energy: -13.426
tors. eta vs tors. theta energy: -11.978
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: 8, replica: 5
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -210.986598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.986598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.118334 (E_RNA)
where:
Base-Base interactions energy: -134.725
where: short stacking energy: -68.073
Base-Backbone interact. energy: -0.035
local terms energy: -76.358506
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -19.395
flat angles C4'-P-C4' energy: -21.874
flat angles P-C4'-P energy: -4.806
tors. eta vs tors. theta energy: -15.709
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -197.948572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.948572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.005491 (E_RNA)
where:
Base-Base interactions energy: -119.147
where: short stacking energy: -56.529
Base-Backbone interact. energy: -0.029
local terms energy: -78.828719
where:
bonds (distance) C4'-P energy: -17.992
bonds (distance) P-C4' energy: -20.909
flat angles C4'-P-C4' energy: -20.946
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -9.318
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: 1
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -200.614535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.614535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.571358 (E_RNA)
where:
Base-Base interactions energy: -127.181
where: short stacking energy: -64.297
Base-Backbone interact. energy: -0.015
local terms energy: -74.375749
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -20.654
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: -14.954
Dist. restrs. and SS energy: 0.957 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -310.300587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.300587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.336508 (E_RNA)
where:
Base-Base interactions energy: -192.677
where: short stacking energy: -100.392
Base-Backbone interact. energy: -0.193
local terms energy: -117.466445
where:
bonds (distance) C4'-P energy: -23.549
bonds (distance) P-C4' energy: -24.010
flat angles C4'-P-C4' energy: -23.314
flat angles P-C4'-P energy: -17.181
tors. eta vs tors. theta energy: -29.412
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: 349
Temperature: 0.950000
Total energy: -284.925432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.925432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.946980 (E_RNA)
where:
Base-Base interactions energy: -167.885
where: short stacking energy: -95.032
Base-Backbone interact. energy: -0.002
local terms energy: -117.060176
where:
bonds (distance) C4'-P energy: -24.877
bonds (distance) P-C4' energy: -20.373
flat angles C4'-P-C4' energy: -24.289
flat angles P-C4'-P energy: -17.079
tors. eta vs tors. theta energy: -30.442
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: 349
Temperature: 1.000000
Total energy: -288.395485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.395485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.433537 (E_RNA)
where:
Base-Base interactions energy: -184.060
where: short stacking energy: -107.966
Base-Backbone interact. energy: -0.011
local terms energy: -104.362155
where:
bonds (distance) C4'-P energy: -19.882
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -23.753
flat angles P-C4'-P energy: -14.641
tors. eta vs tors. theta energy: -31.906
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: 349
Temperature: 1.050000
Total energy: -244.668707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.668707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.939613 (E_RNA)
where:
Base-Base interactions energy: -146.957
where: short stacking energy: -80.955
Base-Backbone interact. energy: -0.515
local terms energy: -97.467651
where:
bonds (distance) C4'-P energy: -23.859
bonds (distance) P-C4' energy: -24.696
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -21.288
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: 5, replica: 6
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -243.271556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.271556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.335437 (E_RNA)
where:
Base-Base interactions energy: -138.508
where: short stacking energy: -74.648
Base-Backbone interact. energy: -0.887
local terms energy: -103.940449
where:
bonds (distance) C4'-P energy: -24.103
bonds (distance) P-C4' energy: -23.405
flat angles C4'-P-C4' energy: -23.072
flat angles P-C4'-P energy: -13.267
tors. eta vs tors. theta energy: -20.093
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: 7
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -236.818534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.818534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.820189 (E_RNA)
where:
Base-Base interactions energy: -147.104
where: short stacking energy: -78.265
Base-Backbone interact. energy: -0.192
local terms energy: -89.523986
where:
bonds (distance) C4'-P energy: -18.811
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -21.499
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -21.871
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -227.780570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.780570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.551653 (E_RNA)
where:
Base-Base interactions energy: -139.483
where: short stacking energy: -71.588
Base-Backbone interact. energy: -0.346
local terms energy: -89.722468
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -22.772
flat angles C4'-P-C4' energy: -18.917
flat angles P-C4'-P energy: -13.401
tors. eta vs tors. theta energy: -18.708
Dist. restrs. and SS energy: 1.771 (S_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: 349
Temperature: 1.250000
Total energy: -215.906993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.906993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.001340 (E_RNA)
where:
Base-Base interactions energy: -126.068
where: short stacking energy: -67.975
Base-Backbone interact. energy: -0.114
local terms energy: -89.820210
where:
bonds (distance) C4'-P energy: -21.188
bonds (distance) P-C4' energy: -17.500
flat angles C4'-P-C4' energy: -22.417
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -20.145
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: 5
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -195.974942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.974942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.034153 (E_RNA)
where:
Base-Base interactions energy: -121.974
where: short stacking energy: -64.622
Base-Backbone interact. energy: -0.904
local terms energy: -73.155820
where:
bonds (distance) C4'-P energy: -20.219
bonds (distance) P-C4' energy: -12.134
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -14.956
tors. eta vs tors. theta energy: -11.683
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: 1
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -191.325462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.325462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.602182 (E_RNA)
where:
Base-Base interactions energy: -120.612
where: short stacking energy: -58.048
Base-Backbone interact. energy: 0.248
local terms energy: -71.237370
where:
bonds (distance) C4'-P energy: -18.541
bonds (distance) P-C4' energy: -17.356
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -11.598
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: 1, replica: 10
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -308.987248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.987248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.078539 (E_RNA)
where:
Base-Base interactions energy: -185.397
where: short stacking energy: -115.286
Base-Backbone interact. energy: -0.349
local terms energy: -123.332941
where:
bonds (distance) C4'-P energy: -22.513
bonds (distance) P-C4' energy: -24.193
flat angles C4'-P-C4' energy: -24.557
flat angles P-C4'-P energy: -18.321
tors. eta vs tors. theta energy: -33.749
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: 2
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -296.167249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.167249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.167249 (E_RNA)
where:
Base-Base interactions energy: -189.786
where: short stacking energy: -105.017
Base-Backbone interact. energy: -0.369
local terms energy: -106.012409
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -24.445
flat angles C4'-P-C4' energy: -21.469
flat angles P-C4'-P energy: -16.842
tors. eta vs tors. theta energy: -30.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -260.134724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.134724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.220470 (E_RNA)
where:
Base-Base interactions energy: -159.744
where: short stacking energy: -92.719
Base-Backbone interact. energy: -0.090
local terms energy: -100.387299
where:
bonds (distance) C4'-P energy: -19.485
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -24.341
flat angles P-C4'-P energy: -17.711
tors. eta vs tors. theta energy: -23.082
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -268.133963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.133963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.168546 (E_RNA)
where:
Base-Base interactions energy: -165.080
where: short stacking energy: -84.255
Base-Backbone interact. energy: -0.178
local terms energy: -102.911393
where:
bonds (distance) C4'-P energy: -24.240
bonds (distance) P-C4' energy: -22.555
flat angles C4'-P-C4' energy: -20.466
flat angles P-C4'-P energy: -14.017
tors. eta vs tors. theta energy: -21.632
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: 350
Temperature: 1.100000
Total energy: -250.285769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.285769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.434315 (E_RNA)
where:
Base-Base interactions energy: -156.408
where: short stacking energy: -85.813
Base-Backbone interact. energy: -0.948
local terms energy: -93.079039
where:
bonds (distance) C4'-P energy: -17.645
bonds (distance) P-C4' energy: -20.473
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -16.330
tors. eta vs tors. theta energy: -22.958
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: 350
Temperature: 1.150000
Total energy: -227.066150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.066150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.183906 (E_RNA)
where:
Base-Base interactions energy: -136.377
where: short stacking energy: -66.718
Base-Backbone interact. energy: -0.327
local terms energy: -90.480739
where:
bonds (distance) C4'-P energy: -24.723
bonds (distance) P-C4' energy: -24.660
flat angles C4'-P-C4' energy: -10.626
flat angles P-C4'-P energy: -18.880
tors. eta vs tors. theta energy: -11.591
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: 4
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -224.423466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.423466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.532973 (E_RNA)
where:
Base-Base interactions energy: -138.771
where: short stacking energy: -67.161
Base-Backbone interact. energy: -0.822
local terms energy: -84.940237
where:
bonds (distance) C4'-P energy: -20.017
bonds (distance) P-C4' energy: -21.812
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -15.571
tors. eta vs tors. theta energy: -13.670
Dist. restrs. and SS energy: 0.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -206.637574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.637574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.735234 (E_RNA)
where:
Base-Base interactions energy: -131.384
where: short stacking energy: -65.875
Base-Backbone interact. energy: 3.571
local terms energy: -78.921754
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -19.671
flat angles C4'-P-C4' energy: -23.244
flat angles P-C4'-P energy: -7.428
tors. eta vs tors. theta energy: -12.962
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: 1
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -210.316343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.316343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.330207 (E_RNA)
where:
Base-Base interactions energy: -129.624
where: short stacking energy: -61.701
Base-Backbone interact. energy: -0.079
local terms energy: -80.627689
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -21.429
flat angles C4'-P-C4' energy: -10.703
flat angles P-C4'-P energy: -18.308
tors. eta vs tors. theta energy: -13.167
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: 5
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -206.646083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.646083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.716643 (E_RNA)
where:
Base-Base interactions energy: -133.980
where: short stacking energy: -67.045
Base-Backbone interact. energy: -0.253
local terms energy: -72.483222
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -18.205
flat angles C4'-P-C4' energy: -21.053
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -8.735
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: 10
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -306.107916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.107916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.306278 (E_RNA)
where:
Base-Base interactions energy: -190.498
where: short stacking energy: -108.312
Base-Backbone interact. energy: -0.057
local terms energy: -115.751834
where:
bonds (distance) C4'-P energy: -19.322
bonds (distance) P-C4' energy: -25.035
flat angles C4'-P-C4' energy: -24.682
flat angles P-C4'-P energy: -17.301
tors. eta vs tors. theta energy: -29.411
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: 2, replica: 8
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -285.695899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.695899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.723531 (E_RNA)
where:
Base-Base interactions energy: -173.743
where: short stacking energy: -104.016
Base-Backbone interact. energy: -0.085
local terms energy: -111.895245
where:
bonds (distance) C4'-P energy: -21.441
bonds (distance) P-C4' energy: -25.263
flat angles C4'-P-C4' energy: -24.841
flat angles P-C4'-P energy: -11.527
tors. eta vs tors. theta energy: -28.823
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -284.380247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.380247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.392460 (E_RNA)
where:
Base-Base interactions energy: -172.229
where: short stacking energy: -94.701
Base-Backbone interact. energy: -0.798
local terms energy: -111.365343
where:
bonds (distance) C4'-P energy: -22.000
bonds (distance) P-C4' energy: -21.849
flat angles C4'-P-C4' energy: -21.111
flat angles P-C4'-P energy: -19.260
tors. eta vs tors. theta energy: -27.145
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: 9
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -263.691317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.691317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.921691 (E_RNA)
where:
Base-Base interactions energy: -155.335
where: short stacking energy: -90.768
Base-Backbone interact. energy: -0.016
local terms energy: -108.570495
where:
bonds (distance) C4'-P energy: -22.023
bonds (distance) P-C4' energy: -22.751
flat angles C4'-P-C4' energy: -19.282
flat angles P-C4'-P energy: -17.482
tors. eta vs tors. theta energy: -27.032
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: 5, replica: 7
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -253.639379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.639379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.817428 (E_RNA)
where:
Base-Base interactions energy: -153.448
where: short stacking energy: -84.499
Base-Backbone interact. energy: -0.070
local terms energy: -100.299874
where:
bonds (distance) C4'-P energy: -23.594
bonds (distance) P-C4' energy: -24.338
flat angles C4'-P-C4' energy: -21.121
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -21.430
Dist. restrs. and SS energy: 0.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -243.254187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.254187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.547772 (E_RNA)
where:
Base-Base interactions energy: -140.787
where: short stacking energy: -79.907
Base-Backbone interact. energy: -0.005
local terms energy: -102.755719
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -18.800
flat angles C4'-P-C4' energy: -21.542
flat angles P-C4'-P energy: -18.970
tors. eta vs tors. theta energy: -25.574
Dist. restrs. and SS energy: 0.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -217.222342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.222342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.238794 (E_RNA)
where:
Base-Base interactions energy: -148.184
where: short stacking energy: -79.108
Base-Backbone interact. energy: -0.040
local terms energy: -69.014441
where:
bonds (distance) C4'-P energy: -19.609
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -7.648
tors. eta vs tors. theta energy: -12.923
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: 1
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -213.452142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.452142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.025424 (E_RNA)
where:
Base-Base interactions energy: -130.477
where: short stacking energy: -68.670
Base-Backbone interact. energy: -0.136
local terms energy: -83.412679
where:
bonds (distance) C4'-P energy: -24.277
bonds (distance) P-C4' energy: -22.031
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -13.161
Dist. restrs. and SS energy: 0.573 (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: 3
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -204.656910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.656910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.878546 (E_RNA)
where:
Base-Base interactions energy: -130.687
where: short stacking energy: -54.450
Base-Backbone interact. energy: -0.468
local terms energy: -73.724227
where:
bonds (distance) C4'-P energy: -19.552
bonds (distance) P-C4' energy: -23.680
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -8.187
tors. eta vs tors. theta energy: -7.474
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: 10, replica: 5
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -202.254494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.254494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.280998 (E_RNA)
where:
Base-Base interactions energy: -123.444
where: short stacking energy: -56.275
Base-Backbone interact. energy: 3.151
local terms energy: -81.987729
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -23.128
flat angles C4'-P-C4' energy: -19.921
flat angles P-C4'-P energy: -13.477
tors. eta vs tors. theta energy: -8.718
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: 10
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -311.784120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.784120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.464118 (E_RNA)
where:
Base-Base interactions energy: -189.205
where: short stacking energy: -110.711
Base-Backbone interact. energy: -0.004
local terms energy: -123.255366
where:
bonds (distance) C4'-P energy: -24.384
bonds (distance) P-C4' energy: -24.251
flat angles C4'-P-C4' energy: -25.998
flat angles P-C4'-P energy: -15.018
tors. eta vs tors. theta energy: -33.605
Dist. restrs. and SS energy: 0.680 (S_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: 352
Temperature: 0.950000
Total energy: -296.507461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.507461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.566534 (E_RNA)
where:
Base-Base interactions energy: -177.100
where: short stacking energy: -99.435
Base-Backbone interact. energy: -0.103
local terms energy: -119.363168
where:
bonds (distance) C4'-P energy: -24.514
bonds (distance) P-C4' energy: -24.750
flat angles C4'-P-C4' energy: -22.072
flat angles P-C4'-P energy: -18.448
tors. eta vs tors. theta energy: -29.580
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: 352
Temperature: 1.000000
Total energy: -270.173608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.173608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.173608 (E_RNA)
where:
Base-Base interactions energy: -167.432
where: short stacking energy: -97.051
Base-Backbone interact. energy: -0.058
local terms energy: -102.683537
where:
bonds (distance) C4'-P energy: -20.040
bonds (distance) P-C4' energy: -21.902
flat angles C4'-P-C4' energy: -23.359
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -24.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -247.077950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.077950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.702162 (E_RNA)
where:
Base-Base interactions energy: -154.162
where: short stacking energy: -71.822
Base-Backbone interact. energy: 0.383
local terms energy: -94.922908
where:
bonds (distance) C4'-P energy: -23.946
bonds (distance) P-C4' energy: -19.282
flat angles C4'-P-C4' energy: -23.620
flat angles P-C4'-P energy: -13.213
tors. eta vs tors. theta energy: -14.862
Dist. restrs. and SS energy: 1.624 (S_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: -245.366288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.366288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.366288 (E_RNA)
where:
Base-Base interactions energy: -150.797
where: short stacking energy: -67.818
Base-Backbone interact. energy: -0.088
local terms energy: -94.481306
where:
bonds (distance) C4'-P energy: -21.411
bonds (distance) P-C4' energy: -21.302
flat angles C4'-P-C4' energy: -21.776
flat angles P-C4'-P energy: -15.800
tors. eta vs tors. theta energy: -14.193
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -263.159051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.159051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.478872 (E_RNA)
where:
Base-Base interactions energy: -162.117
where: short stacking energy: -79.408
Base-Backbone interact. energy: -0.052
local terms energy: -101.309435
where:
bonds (distance) C4'-P energy: -19.715
bonds (distance) P-C4' energy: -25.674
flat angles C4'-P-C4' energy: -18.624
flat angles P-C4'-P energy: -17.483
tors. eta vs tors. theta energy: -19.813
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: 7, replica: 4
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -214.651172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.651172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.706685 (E_RNA)
where:
Base-Base interactions energy: -123.810
where: short stacking energy: -66.650
Base-Backbone interact. energy: -0.518
local terms energy: -90.379108
where:
bonds (distance) C4'-P energy: -21.191
bonds (distance) P-C4' energy: -25.974
flat angles C4'-P-C4' energy: -18.365
flat angles P-C4'-P energy: -14.585
tors. eta vs tors. theta energy: -10.264
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -222.035516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.035516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.223312 (E_RNA)
where:
Base-Base interactions energy: -143.497
where: short stacking energy: -75.552
Base-Backbone interact. energy: -0.167
local terms energy: -78.559789
where:
bonds (distance) C4'-P energy: -18.058
bonds (distance) P-C4' energy: -20.009
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -13.667
tors. eta vs tors. theta energy: -10.498
Dist. restrs. and SS energy: 0.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -227.225717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.225717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.114367 (E_RNA)
where:
Base-Base interactions energy: -146.482
where: short stacking energy: -64.886
Base-Backbone interact. energy: -0.462
local terms energy: -81.170603
where:
bonds (distance) C4'-P energy: -19.086
bonds (distance) P-C4' energy: -22.244
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -13.099
tors. eta vs tors. theta energy: -11.760
Dist. restrs. and SS energy: 0.889 (S_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: -204.007062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.007062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.028911 (E_RNA)
where:
Base-Base interactions energy: -131.848
where: short stacking energy: -68.424
Base-Backbone interact. energy: 0.806
local terms energy: -72.986316
where:
bonds (distance) C4'-P energy: -18.520
bonds (distance) P-C4' energy: -16.795
flat angles C4'-P-C4' energy: -17.038
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -11.314
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: 10
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -306.859852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.859852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.859852 (E_RNA)
where:
Base-Base interactions energy: -192.375
where: short stacking energy: -108.623
Base-Backbone interact. energy: -0.007
local terms energy: -114.477739
where:
bonds (distance) C4'-P energy: -23.187
bonds (distance) P-C4' energy: -22.824
flat angles C4'-P-C4' energy: -23.120
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -32.727
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -305.219059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.219059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.524058 (E_RNA)
where:
Base-Base interactions energy: -189.183
where: short stacking energy: -107.896
Base-Backbone interact. energy: -0.025
local terms energy: -117.316263
where:
bonds (distance) C4'-P energy: -20.590
bonds (distance) P-C4' energy: -22.258
flat angles C4'-P-C4' energy: -25.552
flat angles P-C4'-P energy: -16.264
tors. eta vs tors. theta energy: -32.651
Dist. restrs. and SS energy: 1.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -273.290560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.290560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.290560 (E_RNA)
where:
Base-Base interactions energy: -165.209
where: short stacking energy: -96.064
Base-Backbone interact. energy: -0.088
local terms energy: -107.994335
where:
bonds (distance) C4'-P energy: -21.982
bonds (distance) P-C4' energy: -20.659
flat angles C4'-P-C4' energy: -22.916
flat angles P-C4'-P energy: -13.726
tors. eta vs tors. theta energy: -28.711
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: 4, replica: 9
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -262.525215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.525215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.750724 (E_RNA)
where:
Base-Base interactions energy: -156.465
where: short stacking energy: -84.237
Base-Backbone interact. energy: -0.152
local terms energy: -106.134105
where:
bonds (distance) C4'-P energy: -23.433
bonds (distance) P-C4' energy: -22.643
flat angles C4'-P-C4' energy: -21.252
flat angles P-C4'-P energy: -14.826
tors. eta vs tors. theta energy: -23.980
Dist. restrs. and SS energy: 0.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -245.016522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.016522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.513104 (E_RNA)
where:
Base-Base interactions energy: -157.319
where: short stacking energy: -74.607
Base-Backbone interact. energy: 0.837
local terms energy: -89.031447
where:
bonds (distance) C4'-P energy: -22.525
bonds (distance) P-C4' energy: -19.947
flat angles C4'-P-C4' energy: -21.156
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -16.387
Dist. restrs. and SS energy: 0.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -254.885423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.885423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.003040 (E_RNA)
where:
Base-Base interactions energy: -156.499
where: short stacking energy: -83.483
Base-Backbone interact. energy: -0.032
local terms energy: -98.472072
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -24.011
flat angles C4'-P-C4' energy: -20.733
flat angles P-C4'-P energy: -15.019
tors. eta vs tors. theta energy: -21.847
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: 4
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -231.792969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.792969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.831653 (E_RNA)
where:
Base-Base interactions energy: -145.297
where: short stacking energy: -79.502
Base-Backbone interact. energy: -0.154
local terms energy: -86.380493
where:
bonds (distance) C4'-P energy: -13.504
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -22.793
flat angles P-C4'-P energy: -17.008
tors. eta vs tors. theta energy: -18.625
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: 353
Temperature: 1.250000
Total energy: -217.555606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.555606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.682228 (E_RNA)
where:
Base-Base interactions energy: -133.834
where: short stacking energy: -78.959
Base-Backbone interact. energy: -0.211
local terms energy: -83.637130
where:
bonds (distance) C4'-P energy: -19.955
bonds (distance) P-C4' energy: -18.455
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: -19.355
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: 1
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -213.434962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.434962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.434962 (E_RNA)
where:
Base-Base interactions energy: -133.602
where: short stacking energy: -67.424
Base-Backbone interact. energy: -0.252
local terms energy: -79.580902
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -19.250
flat angles C4'-P-C4' energy: -17.579
flat angles P-C4'-P energy: -10.948
tors. eta vs tors. theta energy: -18.814
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -197.949293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.949293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.067027 (E_RNA)
where:
Base-Base interactions energy: -118.012
where: short stacking energy: -60.672
Base-Backbone interact. energy: -0.219
local terms energy: -79.835618
where:
bonds (distance) C4'-P energy: -23.014
bonds (distance) P-C4' energy: -19.477
flat angles C4'-P-C4' energy: -21.509
flat angles P-C4'-P energy: -13.231
tors. eta vs tors. theta energy: -2.605
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: 1, replica: 8
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -316.098416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.098416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.411604 (E_RNA)
where:
Base-Base interactions energy: -191.102
where: short stacking energy: -107.488
Base-Backbone interact. energy: -0.018
local terms energy: -126.291531
where:
bonds (distance) C4'-P energy: -23.938
bonds (distance) P-C4' energy: -25.697
flat angles C4'-P-C4' energy: -24.067
flat angles P-C4'-P energy: -17.919
tors. eta vs tors. theta energy: -34.669
Dist. restrs. and SS energy: 1.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -309.006034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.006034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.006034 (E_RNA)
where:
Base-Base interactions energy: -193.247
where: short stacking energy: -109.239
Base-Backbone interact. energy: -0.344
local terms energy: -115.415011
where:
bonds (distance) C4'-P energy: -17.339
bonds (distance) P-C4' energy: -20.129
flat angles C4'-P-C4' energy: -29.052
flat angles P-C4'-P energy: -15.152
tors. eta vs tors. theta energy: -33.743
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -259.388648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.388648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.566345 (E_RNA)
where:
Base-Base interactions energy: -159.644
where: short stacking energy: -82.928
Base-Backbone interact. energy: -0.127
local terms energy: -99.795498
where:
bonds (distance) C4'-P energy: -19.711
bonds (distance) P-C4' energy: -22.422
flat angles C4'-P-C4' energy: -18.933
flat angles P-C4'-P energy: -14.842
tors. eta vs tors. theta energy: -23.889
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: 2
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -266.931535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.931535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.981944 (E_RNA)
where:
Base-Base interactions energy: -163.384
where: short stacking energy: -87.589
Base-Backbone interact. energy: -0.011
local terms energy: -103.587413
where:
bonds (distance) C4'-P energy: -24.832
bonds (distance) P-C4' energy: -21.674
flat angles C4'-P-C4' energy: -18.929
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -26.730
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: 7
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -248.449646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.449646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.850365 (E_RNA)
where:
Base-Base interactions energy: -160.349
where: short stacking energy: -86.583
Base-Backbone interact. energy: -0.139
local terms energy: -88.362691
where:
bonds (distance) C4'-P energy: -15.144
bonds (distance) P-C4' energy: -15.369
flat angles C4'-P-C4' energy: -23.574
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: -21.680
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: 6, replica: 6
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -241.075059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.075059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.077116 (E_RNA)
where:
Base-Base interactions energy: -139.687
where: short stacking energy: -70.331
Base-Backbone interact. energy: 0.359
local terms energy: -101.749649
where:
bonds (distance) C4'-P energy: -22.013
bonds (distance) P-C4' energy: -26.855
flat angles C4'-P-C4' energy: -20.723
flat angles P-C4'-P energy: -13.330
tors. eta vs tors. theta energy: -18.828
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -239.829638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.829638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.829638 (E_RNA)
where:
Base-Base interactions energy: -138.156
where: short stacking energy: -74.452
Base-Backbone interact. energy: -0.111
local terms energy: -101.563469
where:
bonds (distance) C4'-P energy: -21.015
bonds (distance) P-C4' energy: -21.305
flat angles C4'-P-C4' energy: -23.918
flat angles P-C4'-P energy: -12.880
tors. eta vs tors. theta energy: -22.446
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -209.927931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.927931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.059072 (E_RNA)
where:
Base-Base interactions energy: -130.488
where: short stacking energy: -64.786
Base-Backbone interact. energy: -0.155
local terms energy: -79.416367
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -23.064
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -13.364
tors. eta vs tors. theta energy: -13.246
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: 1
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -210.459541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.459541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.466827 (E_RNA)
where:
Base-Base interactions energy: -119.673
where: short stacking energy: -65.106
Base-Backbone interact. energy: -0.193
local terms energy: -90.600722
where:
bonds (distance) C4'-P energy: -18.048
bonds (distance) P-C4' energy: -24.880
flat angles C4'-P-C4' energy: -19.416
flat angles P-C4'-P energy: -12.872
tors. eta vs tors. theta energy: -15.384
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: 3
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -192.353349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.353349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.412178 (E_RNA)
where:
Base-Base interactions energy: -114.036
where: short stacking energy: -51.465
Base-Backbone interact. energy: -0.195
local terms energy: -78.181678
where:
bonds (distance) C4'-P energy: -23.193
bonds (distance) P-C4' energy: -22.460
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -8.957
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: 8
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -296.135384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.135384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.135384 (E_RNA)
where:
Base-Base interactions energy: -174.772
where: short stacking energy: -104.834
Base-Backbone interact. energy: -2.538
local terms energy: -118.825861
where:
bonds (distance) C4'-P energy: -21.711
bonds (distance) P-C4' energy: -23.376
flat angles C4'-P-C4' energy: -26.782
flat angles P-C4'-P energy: -17.943
tors. eta vs tors. theta energy: -29.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -293.268936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.268936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.289093 (E_RNA)
where:
Base-Base interactions energy: -177.876
where: short stacking energy: -100.215
Base-Backbone interact. energy: 0.086
local terms energy: -115.499165
where:
bonds (distance) C4'-P energy: -24.212
bonds (distance) P-C4' energy: -21.273
flat angles C4'-P-C4' energy: -21.592
flat angles P-C4'-P energy: -16.574
tors. eta vs tors. theta energy: -31.849
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -261.285039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.285039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.314767 (E_RNA)
where:
Base-Base interactions energy: -165.133
where: short stacking energy: -90.725
Base-Backbone interact. energy: -0.465
local terms energy: -96.717005
where:
bonds (distance) C4'-P energy: -17.463
bonds (distance) P-C4' energy: -22.755
flat angles C4'-P-C4' energy: -19.658
flat angles P-C4'-P energy: -13.792
tors. eta vs tors. theta energy: -23.049
Dist. restrs. and SS energy: 1.030 (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: 2
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -272.061029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.061029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.193080 (E_RNA)
where:
Base-Base interactions energy: -157.722
where: short stacking energy: -94.402
Base-Backbone interact. energy: -0.102
local terms energy: -114.369040
where:
bonds (distance) C4'-P energy: -22.969
bonds (distance) P-C4' energy: -24.211
flat angles C4'-P-C4' energy: -23.567
flat angles P-C4'-P energy: -17.789
tors. eta vs tors. theta energy: -25.833
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: 7
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -254.536380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.536380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.559058 (E_RNA)
where:
Base-Base interactions energy: -154.704
where: short stacking energy: -87.119
Base-Backbone interact. energy: -0.191
local terms energy: -99.664378
where:
bonds (distance) C4'-P energy: -24.566
bonds (distance) P-C4' energy: -20.595
flat angles C4'-P-C4' energy: -20.210
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -23.554
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: 4
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -241.134283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.134283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.262080 (E_RNA)
where:
Base-Base interactions energy: -149.074
where: short stacking energy: -81.816
Base-Backbone interact. energy: 1.388
local terms energy: -93.575671
where:
bonds (distance) C4'-P energy: -20.946
bonds (distance) P-C4' energy: -21.030
flat angles C4'-P-C4' energy: -17.561
flat angles P-C4'-P energy: -17.922
tors. eta vs tors. theta energy: -16.116
Dist. restrs. and SS energy: 0.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -225.914216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.914216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.005858 (E_RNA)
where:
Base-Base interactions energy: -131.156
where: short stacking energy: -71.763
Base-Backbone interact. energy: -0.093
local terms energy: -94.757263
where:
bonds (distance) C4'-P energy: -20.332
bonds (distance) P-C4' energy: -19.894
flat angles C4'-P-C4' energy: -22.213
flat angles P-C4'-P energy: -14.958
tors. eta vs tors. theta energy: -17.361
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: 1
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -226.952304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.952304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.102438 (E_RNA)
where:
Base-Base interactions energy: -134.188
where: short stacking energy: -68.351
Base-Backbone interact. energy: -0.103
local terms energy: -92.811018
where:
bonds (distance) C4'-P energy: -19.387
bonds (distance) P-C4' energy: -20.922
flat angles C4'-P-C4' energy: -19.995
flat angles P-C4'-P energy: -16.573
tors. eta vs tors. theta energy: -15.934
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: 5
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -223.634178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.634178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.936021 (E_RNA)
where:
Base-Base interactions energy: -131.172
where: short stacking energy: -68.913
Base-Backbone interact. energy: -0.148
local terms energy: -92.615538
where:
bonds (distance) C4'-P energy: -18.282
bonds (distance) P-C4' energy: -20.932
flat angles C4'-P-C4' energy: -18.879
flat angles P-C4'-P energy: -16.539
tors. eta vs tors. theta energy: -17.983
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: 10, replica: 3
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -201.088648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.088648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.093538 (E_RNA)
where:
Base-Base interactions energy: -119.945
where: short stacking energy: -58.599
Base-Backbone interact. energy: -0.136
local terms energy: -81.012417
where:
bonds (distance) C4'-P energy: -21.296
bonds (distance) P-C4' energy: -14.093
flat angles C4'-P-C4' energy: -22.853
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -11.230
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: 8
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -302.721794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.721794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.754732 (E_RNA)
where:
Base-Base interactions energy: -191.548
where: short stacking energy: -106.444
Base-Backbone interact. energy: -0.143
local terms energy: -111.063633
where:
bonds (distance) C4'-P energy: -24.170
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -23.999
flat angles P-C4'-P energy: -17.384
tors. eta vs tors. theta energy: -28.091
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -292.924272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.924272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.924790 (E_RNA)
where:
Base-Base interactions energy: -180.159
where: short stacking energy: -101.198
Base-Backbone interact. energy: -0.096
local terms energy: -113.670140
where:
bonds (distance) C4'-P energy: -24.995
bonds (distance) P-C4' energy: -22.911
flat angles C4'-P-C4' energy: -19.454
flat angles P-C4'-P energy: -14.577
tors. eta vs tors. theta energy: -31.733
Dist. restrs. and SS energy: 1.001 (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: 356
Temperature: 1.000000
Total energy: -259.223629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.223629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.391634 (E_RNA)
where:
Base-Base interactions energy: -156.916
where: short stacking energy: -91.704
Base-Backbone interact. energy: -0.054
local terms energy: -102.421453
where:
bonds (distance) C4'-P energy: -19.673
bonds (distance) P-C4' energy: -23.168
flat angles C4'-P-C4' energy: -20.570
flat angles P-C4'-P energy: -15.235
tors. eta vs tors. theta energy: -23.775
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: 4, replica: 9
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -260.767279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.767279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.058447 (E_RNA)
where:
Base-Base interactions energy: -158.742
where: short stacking energy: -88.328
Base-Backbone interact. energy: -0.494
local terms energy: -102.822414
where:
bonds (distance) C4'-P energy: -20.692
bonds (distance) P-C4' energy: -17.063
flat angles C4'-P-C4' energy: -23.925
flat angles P-C4'-P energy: -15.706
tors. eta vs tors. theta energy: -25.436
Dist. restrs. and SS energy: 1.291 (S_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: 356
Temperature: 1.100000
Total energy: -265.912665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.912665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.912665 (E_RNA)
where:
Base-Base interactions energy: -166.878
where: short stacking energy: -96.390
Base-Backbone interact. energy: -0.029
local terms energy: -99.005558
where:
bonds (distance) C4'-P energy: -13.538
bonds (distance) P-C4' energy: -18.475
flat angles C4'-P-C4' energy: -19.377
flat angles P-C4'-P energy: -21.257
tors. eta vs tors. theta energy: -26.358
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -250.926883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.926883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.142022 (E_RNA)
where:
Base-Base interactions energy: -159.468
where: short stacking energy: -74.023
Base-Backbone interact. energy: -0.373
local terms energy: -92.301732
where:
bonds (distance) C4'-P energy: -18.685
bonds (distance) P-C4' energy: -21.971
flat angles C4'-P-C4' energy: -21.528
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: -20.787
Dist. restrs. and SS energy: 1.215 (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: 1
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -225.658771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.658771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.732052 (E_RNA)
where:
Base-Base interactions energy: -146.716
where: short stacking energy: -74.998
Base-Backbone interact. energy: -0.027
local terms energy: -78.988790
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -21.912
flat angles C4'-P-C4' energy: -20.413
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -14.065
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: 6
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -220.431046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.431046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.639322 (E_RNA)
where:
Base-Base interactions energy: -137.397
where: short stacking energy: -73.465
Base-Backbone interact. energy: -0.153
local terms energy: -83.089705
where:
bonds (distance) C4'-P energy: -9.678
bonds (distance) P-C4' energy: -20.789
flat angles C4'-P-C4' energy: -24.243
flat angles P-C4'-P energy: -15.106
tors. eta vs tors. theta energy: -13.274
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: 9, replica: 5
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -229.126159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.126159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.154992 (E_RNA)
where:
Base-Base interactions energy: -140.222
where: short stacking energy: -74.785
Base-Backbone interact. energy: -0.276
local terms energy: -88.656494
where:
bonds (distance) C4'-P energy: -20.662
bonds (distance) P-C4' energy: -16.475
flat angles C4'-P-C4' energy: -19.940
flat angles P-C4'-P energy: -14.046
tors. eta vs tors. theta energy: -17.534
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: 3
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -214.250222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.250222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.283070 (E_RNA)
where:
Base-Base interactions energy: -133.737
where: short stacking energy: -70.956
Base-Backbone interact. energy: -0.073
local terms energy: -80.473093
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -18.762
flat angles C4'-P-C4' energy: -18.096
flat angles P-C4'-P energy: -13.409
tors. eta vs tors. theta energy: -16.233
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: 8
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -301.315868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.315868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.180533 (E_RNA)
where:
Base-Base interactions energy: -183.709
where: short stacking energy: -100.946
Base-Backbone interact. energy: 0.468
local terms energy: -118.939670
where:
bonds (distance) C4'-P energy: -25.268
bonds (distance) P-C4' energy: -20.072
flat angles C4'-P-C4' energy: -26.271
flat angles P-C4'-P energy: -16.967
tors. eta vs tors. theta energy: -30.361
Dist. restrs. and SS energy: 0.865 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -292.303502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.303502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.156574 (E_RNA)
where:
Base-Base interactions energy: -178.505
where: short stacking energy: -100.417
Base-Backbone interact. energy: -0.021
local terms energy: -114.630027
where:
bonds (distance) C4'-P energy: -22.985
bonds (distance) P-C4' energy: -20.899
flat angles C4'-P-C4' energy: -23.587
flat angles P-C4'-P energy: -16.895
tors. eta vs tors. theta energy: -30.263
Dist. restrs. and SS energy: 0.853 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -286.875033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.875033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.022480 (E_RNA)
where:
Base-Base interactions energy: -183.313
where: short stacking energy: -93.509
Base-Backbone interact. energy: -0.350
local terms energy: -104.359359
where:
bonds (distance) C4'-P energy: -23.970
bonds (distance) P-C4' energy: -23.849
flat angles C4'-P-C4' energy: -20.939
flat angles P-C4'-P energy: -9.297
tors. eta vs tors. theta energy: -26.304
Dist. restrs. and SS energy: 1.147 (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: 4
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -251.167489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.167489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.254391 (E_RNA)
where:
Base-Base interactions energy: -153.469
where: short stacking energy: -82.013
Base-Backbone interact. energy: -0.153
local terms energy: -97.632411
where:
bonds (distance) C4'-P energy: -20.759
bonds (distance) P-C4' energy: -23.033
flat angles C4'-P-C4' energy: -18.339
flat angles P-C4'-P energy: -16.936
tors. eta vs tors. theta energy: -18.566
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: 9
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -234.085190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.085190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.703073 (E_RNA)
where:
Base-Base interactions energy: -150.551
where: short stacking energy: -77.991
Base-Backbone interact. energy: -0.093
local terms energy: -85.058794
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -22.380
flat angles C4'-P-C4' energy: -19.053
flat angles P-C4'-P energy: -12.744
tors. eta vs tors. theta energy: -17.132
Dist. restrs. and SS energy: 1.618 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -247.328228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.328228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.643205 (E_RNA)
where:
Base-Base interactions energy: -156.994
where: short stacking energy: -100.833
Base-Backbone interact. energy: 0.596
local terms energy: -91.245104
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -24.544
flat angles P-C4'-P energy: -13.240
tors. eta vs tors. theta energy: -26.243
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: 7
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -245.099615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.099615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.299131 (E_RNA)
where:
Base-Base interactions energy: -148.178
where: short stacking energy: -84.191
Base-Backbone interact. energy: 0.312
local terms energy: -97.432741
where:
bonds (distance) C4'-P energy: -23.031
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -19.615
flat angles P-C4'-P energy: -16.477
tors. eta vs tors. theta energy: -23.772
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: 5
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -215.107259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.107259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.110446 (E_RNA)
where:
Base-Base interactions energy: -134.352
where: short stacking energy: -65.064
Base-Backbone interact. energy: -0.288
local terms energy: -80.470382
where:
bonds (distance) C4'-P energy: -15.037
bonds (distance) P-C4' energy: -17.700
flat angles C4'-P-C4' energy: -24.121
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -13.274
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -207.141186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.141186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.292287 (E_RNA)
where:
Base-Base interactions energy: -135.022
where: short stacking energy: -66.163
Base-Backbone interact. energy: -0.136
local terms energy: -72.134012
where:
bonds (distance) C4'-P energy: -18.933
bonds (distance) P-C4' energy: -15.510
flat angles C4'-P-C4' energy: -11.569
flat angles P-C4'-P energy: -7.064
tors. eta vs tors. theta energy: -19.059
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: 10, replica: 3
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -212.308617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.308617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.529796 (E_RNA)
where:
Base-Base interactions energy: -122.772
where: short stacking energy: -65.150
Base-Backbone interact. energy: -0.203
local terms energy: -89.554994
where:
bonds (distance) C4'-P energy: -18.825
bonds (distance) P-C4' energy: -22.042
flat angles C4'-P-C4' energy: -24.408
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -13.134
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: 1, replica: 10
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -301.871885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.871885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.443671 (E_RNA)
where:
Base-Base interactions energy: -185.245
where: short stacking energy: -112.719
Base-Backbone interact. energy: -0.044
local terms energy: -117.154726
where:
bonds (distance) C4'-P energy: -22.956
bonds (distance) P-C4' energy: -21.170
flat angles C4'-P-C4' energy: -23.157
flat angles P-C4'-P energy: -18.689
tors. eta vs tors. theta energy: -31.182
Dist. restrs. and SS energy: 0.572 (S_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: 358
Temperature: 0.950000
Total energy: -298.904283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.904283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.133366 (E_RNA)
where:
Base-Base interactions energy: -190.158
where: short stacking energy: -110.635
Base-Backbone interact. energy: -0.098
local terms energy: -109.877832
where:
bonds (distance) C4'-P energy: -22.845
bonds (distance) P-C4' energy: -20.502
flat angles C4'-P-C4' energy: -22.990
flat angles P-C4'-P energy: -13.824
tors. eta vs tors. theta energy: -29.717
Dist. restrs. and SS energy: 1.229 (S_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: 358
Temperature: 1.000000
Total energy: -290.830103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.830103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.849123 (E_RNA)
where:
Base-Base interactions energy: -174.357
where: short stacking energy: -103.329
Base-Backbone interact. energy: -0.003
local terms energy: -116.489582
where:
bonds (distance) C4'-P energy: -23.589
bonds (distance) P-C4' energy: -22.192
flat angles C4'-P-C4' energy: -25.128
flat angles P-C4'-P energy: -17.892
tors. eta vs tors. theta energy: -27.688
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: 358
Temperature: 1.050000
Total energy: -257.737672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.737672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.508627 (E_RNA)
where:
Base-Base interactions energy: -166.850
where: short stacking energy: -85.744
Base-Backbone interact. energy: -0.090
local terms energy: -92.569245
where:
bonds (distance) C4'-P energy: -19.644
bonds (distance) P-C4' energy: -15.761
flat angles C4'-P-C4' energy: -21.650
flat angles P-C4'-P energy: -13.028
tors. eta vs tors. theta energy: -22.487
Dist. restrs. and SS energy: 1.771 (S_DIST_RNA)
chem. 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: -262.299386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.299386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.864037 (E_RNA)
where:
Base-Base interactions energy: -164.771
where: short stacking energy: -92.508
Base-Backbone interact. energy: -0.028
local terms energy: -99.064627
where:
bonds (distance) C4'-P energy: -20.453
bonds (distance) P-C4' energy: -19.734
flat angles C4'-P-C4' energy: -22.967
flat angles P-C4'-P energy: -13.025
tors. eta vs tors. theta energy: -22.886
Dist. restrs. and SS energy: 1.565 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -236.791932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.791932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.978606 (E_RNA)
where:
Base-Base interactions energy: -146.215
where: short stacking energy: -77.009
Base-Backbone interact. energy: 1.431
local terms energy: -92.194694
where:
bonds (distance) C4'-P energy: -19.947
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -23.672
flat angles P-C4'-P energy: -12.665
tors. eta vs tors. theta energy: -18.388
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: 7
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -249.197974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.197974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.206832 (E_RNA)
where:
Base-Base interactions energy: -153.029
where: short stacking energy: -86.542
Base-Backbone interact. energy: -0.195
local terms energy: -95.983787
where:
bonds (distance) C4'-P energy: -15.931
bonds (distance) P-C4' energy: -16.697
flat angles C4'-P-C4' energy: -24.195
flat angles P-C4'-P energy: -15.290
tors. eta vs tors. theta energy: -23.871
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: 5
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -217.754135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.754135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.011470 (E_RNA)
where:
Base-Base interactions energy: -131.835
where: short stacking energy: -66.313
Base-Backbone interact. energy: -0.490
local terms energy: -85.686611
where:
bonds (distance) C4'-P energy: -17.933
bonds (distance) P-C4' energy: -21.542
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -15.584
tors. eta vs tors. theta energy: -14.029
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: 9, replica: 3
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -210.882792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.882792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.974035 (E_RNA)
where:
Base-Base interactions energy: -121.027
where: short stacking energy: -65.637
Base-Backbone interact. energy: -0.268
local terms energy: -89.679589
where:
bonds (distance) C4'-P energy: -17.466
bonds (distance) P-C4' energy: -24.104
flat angles C4'-P-C4' energy: -22.907
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -13.863
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: 6
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -211.335445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.335445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.931736 (E_RNA)
where:
Base-Base interactions energy: -131.934
where: short stacking energy: -66.169
Base-Backbone interact. energy: 1.385
local terms energy: -81.381975
where:
bonds (distance) C4'-P energy: -13.264
bonds (distance) P-C4' energy: -21.773
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: -19.482
Dist. restrs. and SS energy: 0.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -294.327704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.327704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.523525 (E_RNA)
where:
Base-Base interactions energy: -180.653
where: short stacking energy: -91.915
Base-Backbone interact. energy: -1.508
local terms energy: -112.362615
where:
bonds (distance) C4'-P energy: -19.239
bonds (distance) P-C4' energy: -22.650
flat angles C4'-P-C4' energy: -23.998
flat angles P-C4'-P energy: -17.383
tors. eta vs tors. theta energy: -29.092
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: 2, replica: 8
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -281.878837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.878837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.974125 (E_RNA)
where:
Base-Base interactions energy: -170.118
where: short stacking energy: -98.822
Base-Backbone interact. energy: 0.965
local terms energy: -112.821295
where:
bonds (distance) C4'-P energy: -22.595
bonds (distance) P-C4' energy: -22.309
flat angles C4'-P-C4' energy: -21.764
flat angles P-C4'-P energy: -17.386
tors. eta vs tors. theta energy: -28.766
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: 4
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -256.081313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.081313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.614167 (E_RNA)
where:
Base-Base interactions energy: -162.360
where: short stacking energy: -81.668
Base-Backbone interact. energy: -0.140
local terms energy: -95.114253
where:
bonds (distance) C4'-P energy: -17.075
bonds (distance) P-C4' energy: -20.611
flat angles C4'-P-C4' energy: -21.296
flat angles P-C4'-P energy: -17.037
tors. eta vs tors. theta energy: -19.095
Dist. restrs. and SS energy: 1.533 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -269.477727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.477727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.789339 (E_RNA)
where:
Base-Base interactions energy: -164.797
where: short stacking energy: -89.976
Base-Backbone interact. energy: -0.163
local terms energy: -104.829626
where:
bonds (distance) C4'-P energy: -21.583
bonds (distance) P-C4' energy: -20.277
flat angles C4'-P-C4' energy: -23.167
flat angles P-C4'-P energy: -14.104
tors. eta vs tors. theta energy: -25.700
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: 5, replica: 9
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -238.858650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.858650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.029021 (E_RNA)
where:
Base-Base interactions energy: -146.311
where: short stacking energy: -70.198
Base-Backbone interact. energy: -0.457
local terms energy: -95.260456
where:
bonds (distance) C4'-P energy: -21.691
bonds (distance) P-C4' energy: -22.091
flat angles C4'-P-C4' energy: -22.705
flat angles P-C4'-P energy: -12.888
tors. eta vs tors. theta energy: -15.885
Dist. restrs. and SS energy: 3.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -252.046409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.046409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.087793 (E_RNA)
where:
Base-Base interactions energy: -149.199
where: short stacking energy: -83.161
Base-Backbone interact. energy: -0.062
local terms energy: -102.826963
where:
bonds (distance) C4'-P energy: -21.267
bonds (distance) P-C4' energy: -22.020
flat angles C4'-P-C4' energy: -21.752
flat angles P-C4'-P energy: -16.125
tors. eta vs tors. theta energy: -21.663
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -219.872355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.872355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.980614 (E_RNA)
where:
Base-Base interactions energy: -127.716
where: short stacking energy: -63.189
Base-Backbone interact. energy: -0.127
local terms energy: -92.137144
where:
bonds (distance) C4'-P energy: -19.163
bonds (distance) P-C4' energy: -22.855
flat angles C4'-P-C4' energy: -22.034
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -18.100
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: 3
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -212.501943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.501943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.531801 (E_RNA)
where:
Base-Base interactions energy: -129.811
where: short stacking energy: -67.609
Base-Backbone interact. energy: -0.197
local terms energy: -82.523713
where:
bonds (distance) C4'-P energy: -24.507
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -13.599
tors. eta vs tors. theta energy: -13.133
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -205.963640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.963640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.053576 (E_RNA)
where:
Base-Base interactions energy: -128.165
where: short stacking energy: -64.684
Base-Backbone interact. energy: -0.333
local terms energy: -77.555676
where:
bonds (distance) C4'-P energy: -23.431
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -19.672
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -6.205
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: 6
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -200.636829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.636829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.004309 (E_RNA)
where:
Base-Base interactions energy: -120.042
where: short stacking energy: -59.823
Base-Backbone interact. energy: -0.212
local terms energy: -80.750179
where:
bonds (distance) C4'-P energy: -19.831
bonds (distance) P-C4' energy: -22.465
flat angles C4'-P-C4' energy: -20.768
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -5.221
Dist. restrs. and SS energy: 0.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -285.842695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.842695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.898679 (E_RNA)
where:
Base-Base interactions energy: -171.987
where: short stacking energy: -103.693
Base-Backbone interact. energy: -0.126
local terms energy: -113.785278
where:
bonds (distance) C4'-P energy: -19.264
bonds (distance) P-C4' energy: -20.264
flat angles C4'-P-C4' energy: -26.886
flat angles P-C4'-P energy: -17.669
tors. eta vs tors. theta energy: -29.702
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: 360
Temperature: 0.950000
Total energy: -288.645251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.645251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.764216 (E_RNA)
where:
Base-Base interactions energy: -167.711
where: short stacking energy: -103.521
Base-Backbone interact. energy: -0.006
local terms energy: -121.046733
where:
bonds (distance) C4'-P energy: -21.149
bonds (distance) P-C4' energy: -26.344
flat angles C4'-P-C4' energy: -25.248
flat angles P-C4'-P energy: -15.310
tors. eta vs tors. theta energy: -32.996
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: 2
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -258.263572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.263572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.710857 (E_RNA)
where:
Base-Base interactions energy: -163.056
where: short stacking energy: -83.640
Base-Backbone interact. energy: -0.123
local terms energy: -95.531604
where:
bonds (distance) C4'-P energy: -22.249
bonds (distance) P-C4' energy: -19.293
flat angles C4'-P-C4' energy: -23.646
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: -19.134
Dist. restrs. and SS energy: 0.447 (S_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: 360
Temperature: 1.050000
Total energy: -256.482401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.482401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.484162 (E_RNA)
where:
Base-Base interactions energy: -167.372
where: short stacking energy: -84.185
Base-Backbone interact. energy: -0.757
local terms energy: -88.355668
where:
bonds (distance) C4'-P energy: -10.931
bonds (distance) P-C4' energy: -21.418
flat angles C4'-P-C4' energy: -21.601
flat angles P-C4'-P energy: -15.182
tors. eta vs tors. theta energy: -19.224
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: 360
Temperature: 1.100000
Total energy: -259.654487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.654487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.075218 (E_RNA)
where:
Base-Base interactions energy: -159.174
where: short stacking energy: -80.880
Base-Backbone interact. energy: -0.083
local terms energy: -101.818052
where:
bonds (distance) C4'-P energy: -20.167
bonds (distance) P-C4' energy: -21.902
flat angles C4'-P-C4' energy: -21.755
flat angles P-C4'-P energy: -12.912
tors. eta vs tors. theta energy: -25.082
Dist. restrs. and SS energy: 1.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -239.106009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.106009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.572349 (E_RNA)
where:
Base-Base interactions energy: -145.952
where: short stacking energy: -68.816
Base-Backbone interact. energy: -0.641
local terms energy: -93.979311
where:
bonds (distance) C4'-P energy: -23.826
bonds (distance) P-C4' energy: -23.506
flat angles C4'-P-C4' energy: -18.282
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: -17.324
Dist. restrs. and SS energy: 1.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -223.699491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.699491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.730136 (E_RNA)
where:
Base-Base interactions energy: -133.787
where: short stacking energy: -66.921
Base-Backbone interact. energy: -0.164
local terms energy: -89.779346
where:
bonds (distance) C4'-P energy: -19.390
bonds (distance) P-C4' energy: -22.031
flat angles C4'-P-C4' energy: -20.709
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: -16.395
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -207.118549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.118549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.440146 (E_RNA)
where:
Base-Base interactions energy: -121.345
where: short stacking energy: -64.161
Base-Backbone interact. energy: 0.484
local terms energy: -86.580008
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -22.047
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -15.609
tors. eta vs tors. theta energy: -14.745
Dist. restrs. and SS energy: 0.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -192.781027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.781027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.836828 (E_RNA)
where:
Base-Base interactions energy: -113.668
where: short stacking energy: -51.696
Base-Backbone interact. energy: -0.559
local terms energy: -78.609087
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -22.602
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -19.086
tors. eta vs tors. theta energy: -6.108
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -192.612000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.612000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.705367 (E_RNA)
where:
Base-Base interactions energy: -112.730
where: short stacking energy: -49.831
Base-Backbone interact. energy: 0.183
local terms energy: -80.157906
where:
bonds (distance) C4'-P energy: -17.193
bonds (distance) P-C4' energy: -21.287
flat angles C4'-P-C4' energy: -21.211
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -8.331
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -289.709920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.709920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.737247 (E_RNA)
where:
Base-Base interactions energy: -176.535
where: short stacking energy: -107.922
Base-Backbone interact. energy: -0.158
local terms energy: -113.044626
where:
bonds (distance) C4'-P energy: -18.054
bonds (distance) P-C4' energy: -26.170
flat angles C4'-P-C4' energy: -22.380
flat angles P-C4'-P energy: -13.579
tors. eta vs tors. theta energy: -32.861
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -291.623786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.623786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.766368 (E_RNA)
where:
Base-Base interactions energy: -169.786
where: short stacking energy: -102.317
Base-Backbone interact. energy: -0.262
local terms energy: -121.719228
where:
bonds (distance) C4'-P energy: -24.447
bonds (distance) P-C4' energy: -25.942
flat angles C4'-P-C4' energy: -26.017
flat angles P-C4'-P energy: -15.007
tors. eta vs tors. theta energy: -30.307
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: 3, replica: 2
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -287.417022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.417022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.420523 (E_RNA)
where:
Base-Base interactions energy: -175.314
where: short stacking energy: -95.033
Base-Backbone interact. energy: -0.011
local terms energy: -112.095378
where:
bonds (distance) C4'-P energy: -24.243
bonds (distance) P-C4' energy: -21.070
flat angles C4'-P-C4' energy: -21.918
flat angles P-C4'-P energy: -16.126
tors. eta vs tors. theta energy: -28.739
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: 1
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -279.637496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.637496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.320498 (E_RNA)
where:
Base-Base interactions energy: -172.889
where: short stacking energy: -97.780
Base-Backbone interact. energy: -0.010
local terms energy: -108.420860
where:
bonds (distance) C4'-P energy: -20.287
bonds (distance) P-C4' energy: -20.139
flat angles C4'-P-C4' energy: -20.622
flat angles P-C4'-P energy: -19.786
tors. eta vs tors. theta energy: -27.586
Dist. restrs. and SS energy: 1.683 (S_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: 361
Temperature: 1.100000
Total energy: -257.531941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.531941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.662768 (E_RNA)
where:
Base-Base interactions energy: -164.654
where: short stacking energy: -79.648
Base-Backbone interact. energy: 0.919
local terms energy: -93.928042
where:
bonds (distance) C4'-P energy: -18.595
bonds (distance) P-C4' energy: -22.309
flat angles C4'-P-C4' energy: -20.896
flat angles P-C4'-P energy: -15.983
tors. eta vs tors. theta energy: -16.144
Dist. restrs. and SS energy: 0.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -229.295996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.295996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.612887 (E_RNA)
where:
Base-Base interactions energy: -135.780
where: short stacking energy: -70.945
Base-Backbone interact. energy: -0.239
local terms energy: -93.593897
where:
bonds (distance) C4'-P energy: -25.246
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -20.477
flat angles P-C4'-P energy: -13.092
tors. eta vs tors. theta energy: -16.181
Dist. restrs. and SS energy: 0.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -205.883301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.883301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.592289 (E_RNA)
where:
Base-Base interactions energy: -115.149
where: short stacking energy: -54.632
Base-Backbone interact. energy: -0.324
local terms energy: -91.119624
where:
bonds (distance) C4'-P energy: -18.794
bonds (distance) P-C4' energy: -21.002
flat angles C4'-P-C4' energy: -21.131
flat angles P-C4'-P energy: -20.920
tors. eta vs tors. theta energy: -9.273
Dist. restrs. and SS energy: 0.709 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -215.664447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.664447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.034975 (E_RNA)
where:
Base-Base interactions energy: -122.911
where: short stacking energy: -63.940
Base-Backbone interact. energy: -0.174
local terms energy: -92.949613
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -23.033
flat angles C4'-P-C4' energy: -20.691
flat angles P-C4'-P energy: -15.496
tors. eta vs tors. theta energy: -19.283
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: 7
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -207.538818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.538818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.812522 (E_RNA)
where:
Base-Base interactions energy: -136.307
where: short stacking energy: -65.253
Base-Backbone interact. energy: 0.484
local terms energy: -73.989594
where:
bonds (distance) C4'-P energy: -18.635
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -20.674
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: -11.499
Dist. restrs. and SS energy: 2.274 (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: 5
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -209.416158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.416158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.666282 (E_RNA)
where:
Base-Base interactions energy: -126.489
where: short stacking energy: -62.504
Base-Backbone interact. energy: -0.162
local terms energy: -85.015450
where:
bonds (distance) C4'-P energy: -22.154
bonds (distance) P-C4' energy: -19.539
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -15.154
tors. eta vs tors. theta energy: -11.621
Dist. restrs. and SS energy: 2.250 (S_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: 362
Temperature: 0.900000
Total energy: -298.403579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.403579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.473619 (E_RNA)
where:
Base-Base interactions energy: -191.892
where: short stacking energy: -111.805
Base-Backbone interact. energy: -0.287
local terms energy: -106.294882
where:
bonds (distance) C4'-P energy: -18.563
bonds (distance) P-C4' energy: -23.073
flat angles C4'-P-C4' energy: -18.616
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -34.047
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -276.968484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.968484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.975141 (E_RNA)
where:
Base-Base interactions energy: -167.696
where: short stacking energy: -92.912
Base-Backbone interact. energy: -0.139
local terms energy: -109.139793
where:
bonds (distance) C4'-P energy: -19.399
bonds (distance) P-C4' energy: -24.341
flat angles C4'-P-C4' energy: -20.874
flat angles P-C4'-P energy: -14.054
tors. eta vs tors. theta energy: -30.471
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -291.348425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.348425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.444338 (E_RNA)
where:
Base-Base interactions energy: -171.341
where: short stacking energy: -94.851
Base-Backbone interact. energy: -1.597
local terms energy: -118.505948
where:
bonds (distance) C4'-P energy: -23.553
bonds (distance) P-C4' energy: -22.750
flat angles C4'-P-C4' energy: -19.838
flat angles P-C4'-P energy: -20.054
tors. eta vs tors. theta energy: -32.312
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -292.119666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.119666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.831810 (E_RNA)
where:
Base-Base interactions energy: -182.069
where: short stacking energy: -97.871
Base-Backbone interact. energy: 1.285
local terms energy: -113.048012
where:
bonds (distance) C4'-P energy: -23.681
bonds (distance) P-C4' energy: -17.702
flat angles C4'-P-C4' energy: -23.326
flat angles P-C4'-P energy: -16.556
tors. eta vs tors. theta energy: -31.783
Dist. restrs. and SS energy: 1.712 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -252.978031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.978031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.009295 (E_RNA)
where:
Base-Base interactions energy: -158.762
where: short stacking energy: -91.860
Base-Backbone interact. energy: -0.953
local terms energy: -93.295122
where:
bonds (distance) C4'-P energy: -18.997
bonds (distance) P-C4' energy: -23.436
flat angles C4'-P-C4' energy: -19.933
flat angles P-C4'-P energy: -13.182
tors. eta vs tors. theta energy: -17.747
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: 362
Temperature: 1.150000
Total energy: -237.705296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.705296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.705296 (E_RNA)
where:
Base-Base interactions energy: -152.695
where: short stacking energy: -74.958
Base-Backbone interact. energy: -0.301
local terms energy: -84.708968
where:
bonds (distance) C4'-P energy: -23.643
bonds (distance) P-C4' energy: -20.154
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -7.243
tors. eta vs tors. theta energy: -17.033
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -211.569056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.569056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.582587 (E_RNA)
where:
Base-Base interactions energy: -130.515
where: short stacking energy: -67.378
Base-Backbone interact. energy: 0.333
local terms energy: -81.400368
where:
bonds (distance) C4'-P energy: -22.104
bonds (distance) P-C4' energy: -11.402
flat angles C4'-P-C4' energy: -20.327
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -17.133
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: 9
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -208.270736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.270736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.539719 (E_RNA)
where:
Base-Base interactions energy: -127.711
where: short stacking energy: -55.201
Base-Backbone interact. energy: -0.359
local terms energy: -80.470212
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -23.396
flat angles C4'-P-C4' energy: -20.482
flat angles P-C4'-P energy: -13.929
tors. eta vs tors. theta energy: -9.632
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: 9, replica: 5
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -224.311589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.311589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.514571 (E_RNA)
where:
Base-Base interactions energy: -143.350
where: short stacking energy: -76.037
Base-Backbone interact. energy: 4.732
local terms energy: -85.896731
where:
bonds (distance) C4'-P energy: -17.844
bonds (distance) P-C4' energy: -18.907
flat angles C4'-P-C4' energy: -14.590
flat angles P-C4'-P energy: -14.546
tors. eta vs tors. theta energy: -20.009
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: 10, replica: 7
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -207.626527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.626527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.658973 (E_RNA)
where:
Base-Base interactions energy: -128.568
where: short stacking energy: -54.147
Base-Backbone interact. energy: -0.405
local terms energy: -78.686729
where:
bonds (distance) C4'-P energy: -19.677
bonds (distance) P-C4' energy: -21.134
flat angles C4'-P-C4' energy: -19.207
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -8.963
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: 8
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -303.112459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.112459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.394922 (E_RNA)
where:
Base-Base interactions energy: -183.724
where: short stacking energy: -106.481
Base-Backbone interact. energy: -0.001
local terms energy: -119.670324
where:
bonds (distance) C4'-P energy: -23.307
bonds (distance) P-C4' energy: -23.956
flat angles C4'-P-C4' energy: -23.304
flat angles P-C4'-P energy: -18.175
tors. eta vs tors. theta energy: -30.928
Dist. restrs. and SS energy: 0.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -282.297740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.297740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.426348 (E_RNA)
where:
Base-Base interactions energy: -167.125
where: short stacking energy: -96.796
Base-Backbone interact. energy: -0.046
local terms energy: -115.255539
where:
bonds (distance) C4'-P energy: -25.882
bonds (distance) P-C4' energy: -20.281
flat angles C4'-P-C4' energy: -20.583
flat angles P-C4'-P energy: -17.911
tors. eta vs tors. theta energy: -30.599
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: 10
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -281.955028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.955028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.051726 (E_RNA)
where:
Base-Base interactions energy: -170.065
where: short stacking energy: -91.169
Base-Backbone interact. energy: 0.300
local terms energy: -113.287120
where:
bonds (distance) C4'-P energy: -25.202
bonds (distance) P-C4' energy: -18.335
flat angles C4'-P-C4' energy: -21.889
flat angles P-C4'-P energy: -20.213
tors. eta vs tors. theta energy: -27.649
Dist. restrs. and SS energy: 1.097 (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: 2
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -265.595016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.595016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.632657 (E_RNA)
where:
Base-Base interactions energy: -170.768
where: short stacking energy: -83.914
Base-Backbone interact. energy: -0.032
local terms energy: -95.832549
where:
bonds (distance) C4'-P energy: -21.098
bonds (distance) P-C4' energy: -19.859
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -29.363
Dist. restrs. and SS energy: 1.038 (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: 3
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -246.535178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.535178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.552500 (E_RNA)
where:
Base-Base interactions energy: -149.655
where: short stacking energy: -84.711
Base-Backbone interact. energy: -0.066
local terms energy: -96.831960
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -17.367
flat angles C4'-P-C4' energy: -21.751
flat angles P-C4'-P energy: -16.795
tors. eta vs tors. theta energy: -24.535
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: 4
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -240.663210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.663210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.668747 (E_RNA)
where:
Base-Base interactions energy: -150.526
where: short stacking energy: -85.469
Base-Backbone interact. energy: 4.449
local terms energy: -94.591055
where:
bonds (distance) C4'-P energy: -17.984
bonds (distance) P-C4' energy: -20.395
flat angles C4'-P-C4' energy: -20.550
flat angles P-C4'-P energy: -13.651
tors. eta vs tors. theta energy: -22.011
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: 6
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -223.672695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.672695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.830405 (E_RNA)
where:
Base-Base interactions energy: -132.340
where: short stacking energy: -68.231
Base-Backbone interact. energy: 0.344
local terms energy: -91.834692
where:
bonds (distance) C4'-P energy: -16.942
bonds (distance) P-C4' energy: -23.869
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -17.721
tors. eta vs tors. theta energy: -17.464
Dist. restrs. and SS energy: 0.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -230.245248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.245248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.421320 (E_RNA)
where:
Base-Base interactions energy: -141.897
where: short stacking energy: -68.581
Base-Backbone interact. energy: -0.047
local terms energy: -88.476983
where:
bonds (distance) C4'-P energy: -16.199
bonds (distance) P-C4' energy: -21.372
flat angles C4'-P-C4' energy: -24.312
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: -12.959
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: 9
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -189.231382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.231382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.277072 (E_RNA)
where:
Base-Base interactions energy: -123.806
where: short stacking energy: -60.818
Base-Backbone interact. energy: -0.497
local terms energy: -64.973655
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -20.928
flat angles C4'-P-C4' energy: -17.852
flat angles P-C4'-P energy: -2.692
tors. eta vs tors. theta energy: -11.414
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: 10, replica: 7
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -209.018097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.018097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.050508 (E_RNA)
where:
Base-Base interactions energy: -128.612
where: short stacking energy: -64.905
Base-Backbone interact. energy: 0.411
local terms energy: -80.849505
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -17.733
flat angles C4'-P-C4' energy: -23.840
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -11.723
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: 1
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -302.589748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.589748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.724881 (E_RNA)
where:
Base-Base interactions energy: -178.710
where: short stacking energy: -112.919
Base-Backbone interact. energy: -0.210
local terms energy: -123.805763
where:
bonds (distance) C4'-P energy: -21.628
bonds (distance) P-C4' energy: -24.395
flat angles C4'-P-C4' energy: -24.054
flat angles P-C4'-P energy: -16.911
tors. eta vs tors. theta energy: -36.819
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: 8
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -280.827338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.827338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.706391 (E_RNA)
where:
Base-Base interactions energy: -176.834
where: short stacking energy: -89.239
Base-Backbone interact. energy: -0.106
local terms energy: -105.766604
where:
bonds (distance) C4'-P energy: -18.382
bonds (distance) P-C4' energy: -22.529
flat angles C4'-P-C4' energy: -25.829
flat angles P-C4'-P energy: -13.236
tors. eta vs tors. theta energy: -25.790
Dist. restrs. and SS energy: 1.879 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -281.270106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.270106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.324032 (E_RNA)
where:
Base-Base interactions energy: -178.415
where: short stacking energy: -98.763
Base-Backbone interact. energy: -0.305
local terms energy: -102.603315
where:
bonds (distance) C4'-P energy: -22.845
bonds (distance) P-C4' energy: -20.234
flat angles C4'-P-C4' energy: -20.864
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: -26.319
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: 10
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -250.305521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.305521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.521090 (E_RNA)
where:
Base-Base interactions energy: -166.711
where: short stacking energy: -79.845
Base-Backbone interact. energy: -0.086
local terms energy: -83.724986
where:
bonds (distance) C4'-P energy: -20.356
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -17.172
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: -16.662
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: 5, replica: 3
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -241.569671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.569671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.754934 (E_RNA)
where:
Base-Base interactions energy: -133.254
where: short stacking energy: -78.774
Base-Backbone interact. energy: -0.205
local terms energy: -108.295803
where:
bonds (distance) C4'-P energy: -22.781
bonds (distance) P-C4' energy: -22.894
flat angles C4'-P-C4' energy: -21.889
flat angles P-C4'-P energy: -18.905
tors. eta vs tors. theta energy: -21.826
Dist. restrs. and SS energy: 0.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -229.216756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.216756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.287218 (E_RNA)
where:
Base-Base interactions energy: -131.142
where: short stacking energy: -63.930
Base-Backbone interact. energy: -0.955
local terms energy: -97.190472
where:
bonds (distance) C4'-P energy: -24.553
bonds (distance) P-C4' energy: -22.682
flat angles C4'-P-C4' energy: -23.139
flat angles P-C4'-P energy: -17.625
tors. eta vs tors. theta energy: -9.192
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: 5
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -221.775109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.775109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.802883 (E_RNA)
where:
Base-Base interactions energy: -130.706
where: short stacking energy: -68.601
Base-Backbone interact. energy: -0.007
local terms energy: -91.089882
where:
bonds (distance) C4'-P energy: -20.987
bonds (distance) P-C4' energy: -14.629
flat angles C4'-P-C4' energy: -21.667
flat angles P-C4'-P energy: -15.937
tors. eta vs tors. theta energy: -17.869
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: 364
Temperature: 1.250000
Total energy: -221.423761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.423761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.423761 (E_RNA)
where:
Base-Base interactions energy: -133.124
where: short stacking energy: -60.908
Base-Backbone interact. energy: -0.074
local terms energy: -88.225829
where:
bonds (distance) C4'-P energy: -17.909
bonds (distance) P-C4' energy: -20.125
flat angles C4'-P-C4' energy: -19.897
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -19.602
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -202.299332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.299332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.331155 (E_RNA)
where:
Base-Base interactions energy: -122.892
where: short stacking energy: -62.048
Base-Backbone interact. energy: -0.836
local terms energy: -78.603406
where:
bonds (distance) C4'-P energy: -22.367
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -14.040
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: 9
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -195.351731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.351731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.399898 (E_RNA)
where:
Base-Base interactions energy: -110.993
where: short stacking energy: -55.696
Base-Backbone interact. energy: -0.113
local terms energy: -84.294307
where:
bonds (distance) C4'-P energy: -17.458
bonds (distance) P-C4' energy: -22.160
flat angles C4'-P-C4' energy: -20.802
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -11.794
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -308.150396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.150396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.171304 (E_RNA)
where:
Base-Base interactions energy: -189.573
where: short stacking energy: -112.491
Base-Backbone interact. energy: -0.050
local terms energy: -118.548181
where:
bonds (distance) C4'-P energy: -22.637
bonds (distance) P-C4' energy: -21.446
flat angles C4'-P-C4' energy: -24.660
flat angles P-C4'-P energy: -17.181
tors. eta vs tors. theta energy: -32.624
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: 8
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -292.989217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.989217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.241890 (E_RNA)
where:
Base-Base interactions energy: -183.202
where: short stacking energy: -99.078
Base-Backbone interact. energy: -0.236
local terms energy: -110.804027
where:
bonds (distance) C4'-P energy: -19.976
bonds (distance) P-C4' energy: -22.778
flat angles C4'-P-C4' energy: -20.942
flat angles P-C4'-P energy: -20.684
tors. eta vs tors. theta energy: -26.424
Dist. restrs. and SS energy: 1.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -276.940873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.940873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.940873 (E_RNA)
where:
Base-Base interactions energy: -174.126
where: short stacking energy: -86.747
Base-Backbone interact. energy: -0.244
local terms energy: -102.570631
where:
bonds (distance) C4'-P energy: -21.694
bonds (distance) P-C4' energy: -23.560
flat angles C4'-P-C4' energy: -20.358
flat angles P-C4'-P energy: -17.449
tors. eta vs tors. theta energy: -19.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -256.182166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.182166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.255869 (E_RNA)
where:
Base-Base interactions energy: -148.253
where: short stacking energy: -83.601
Base-Backbone interact. energy: -0.036
local terms energy: -107.966653
where:
bonds (distance) C4'-P energy: -18.455
bonds (distance) P-C4' energy: -22.172
flat angles C4'-P-C4' energy: -27.541
flat angles P-C4'-P energy: -16.756
tors. eta vs tors. theta energy: -23.042
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: 365
Temperature: 1.100000
Total energy: -251.318331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.318331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.379406 (E_RNA)
where:
Base-Base interactions energy: -152.857
where: short stacking energy: -92.470
Base-Backbone interact. energy: -0.014
local terms energy: -98.508092
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -20.267
flat angles C4'-P-C4' energy: -23.464
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: -26.748
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: 4
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -238.347904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.347904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.734889 (E_RNA)
where:
Base-Base interactions energy: -141.855
where: short stacking energy: -68.795
Base-Backbone interact. energy: -0.186
local terms energy: -96.693340
where:
bonds (distance) C4'-P energy: -19.810
bonds (distance) P-C4' energy: -22.703
flat angles C4'-P-C4' energy: -19.380
flat angles P-C4'-P energy: -15.028
tors. eta vs tors. theta energy: -19.772
Dist. restrs. and SS energy: 0.387 (S_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: 365
Temperature: 1.200000
Total energy: -223.299531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.299531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.381595 (E_RNA)
where:
Base-Base interactions energy: -139.416
where: short stacking energy: -63.978
Base-Backbone interact. energy: 2.189
local terms energy: -87.154655
where:
bonds (distance) C4'-P energy: -18.233
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -19.459
flat angles P-C4'-P energy: -16.585
tors. eta vs tors. theta energy: -16.788
Dist. restrs. and SS energy: 1.082 (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: 365
Temperature: 1.250000
Total energy: -221.240604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.240604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.353769 (E_RNA)
where:
Base-Base interactions energy: -139.680
where: short stacking energy: -73.730
Base-Backbone interact. energy: -0.412
local terms energy: -81.261800
where:
bonds (distance) C4'-P energy: -16.917
bonds (distance) P-C4' energy: -23.780
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -13.516
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: 6
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -210.246457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.246457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.362689 (E_RNA)
where:
Base-Base interactions energy: -127.174
where: short stacking energy: -66.045
Base-Backbone interact. energy: -0.253
local terms energy: -82.935561
where:
bonds (distance) C4'-P energy: -17.196
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -17.077
flat angles P-C4'-P energy: -14.057
tors. eta vs tors. theta energy: -16.245
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: 9
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -201.940999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.940999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.962087 (E_RNA)
where:
Base-Base interactions energy: -131.004
where: short stacking energy: -66.530
Base-Backbone interact. energy: 0.312
local terms energy: -71.269748
where:
bonds (distance) C4'-P energy: -14.639
bonds (distance) P-C4' energy: -21.465
flat angles C4'-P-C4' energy: -20.073
flat angles P-C4'-P energy: -6.288
tors. eta vs tors. theta energy: -8.805
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: 8
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -301.040953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.040953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.180482 (E_RNA)
where:
Base-Base interactions energy: -194.391
where: short stacking energy: -99.741
Base-Backbone interact. energy: -0.037
local terms energy: -107.752830
where:
bonds (distance) C4'-P energy: -13.774
bonds (distance) P-C4' energy: -24.477
flat angles C4'-P-C4' energy: -22.658
flat angles P-C4'-P energy: -17.759
tors. eta vs tors. theta energy: -29.085
Dist. restrs. and SS energy: 1.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -306.572522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.572522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.625790 (E_RNA)
where:
Base-Base interactions energy: -186.425
where: short stacking energy: -114.060
Base-Backbone interact. energy: -1.024
local terms energy: -119.177199
where:
bonds (distance) C4'-P energy: -20.154
bonds (distance) P-C4' energy: -22.963
flat angles C4'-P-C4' energy: -25.149
flat angles P-C4'-P energy: -17.023
tors. eta vs tors. theta energy: -33.887
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -287.548215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.548215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.599800 (E_RNA)
where:
Base-Base interactions energy: -166.992
where: short stacking energy: -99.496
Base-Backbone interact. energy: -0.103
local terms energy: -120.505288
where:
bonds (distance) C4'-P energy: -23.590
bonds (distance) P-C4' energy: -26.812
flat angles C4'-P-C4' energy: -26.227
flat angles P-C4'-P energy: -17.744
tors. eta vs tors. theta energy: -26.132
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: 366
Temperature: 1.050000
Total energy: -241.317517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.317517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.378522 (E_RNA)
where:
Base-Base interactions energy: -131.007
where: short stacking energy: -72.024
Base-Backbone interact. energy: -0.670
local terms energy: -109.701630
where:
bonds (distance) C4'-P energy: -23.341
bonds (distance) P-C4' energy: -25.018
flat angles C4'-P-C4' energy: -24.231
flat angles P-C4'-P energy: -18.728
tors. eta vs tors. theta energy: -18.383
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: 5, replica: 4
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -264.801557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.801557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.876708 (E_RNA)
where:
Base-Base interactions energy: -172.000
where: short stacking energy: -94.917
Base-Backbone interact. energy: 0.011
local terms energy: -93.887762
where:
bonds (distance) C4'-P energy: -19.696
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -20.606
flat angles P-C4'-P energy: -13.137
tors. eta vs tors. theta energy: -22.055
Dist. restrs. and SS energy: 1.075 (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: 366
Temperature: 1.150000
Total energy: -233.671543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.671543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.752715 (E_RNA)
where:
Base-Base interactions energy: -138.040
where: short stacking energy: -77.389
Base-Backbone interact. energy: -0.242
local terms energy: -95.471140
where:
bonds (distance) C4'-P energy: -22.870
bonds (distance) P-C4' energy: -22.141
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -17.064
tors. eta vs tors. theta energy: -18.968
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -212.434304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.434304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.553024 (E_RNA)
where:
Base-Base interactions energy: -121.312
where: short stacking energy: -64.153
Base-Backbone interact. energy: -0.037
local terms energy: -91.204394
where:
bonds (distance) C4'-P energy: -24.502
bonds (distance) P-C4' energy: -21.669
flat angles C4'-P-C4' energy: -17.593
flat angles P-C4'-P energy: -13.642
tors. eta vs tors. theta energy: -13.798
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: 366
Temperature: 1.250000
Total energy: -205.752553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.752553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.755162 (E_RNA)
where:
Base-Base interactions energy: -122.686
where: short stacking energy: -59.728
Base-Backbone interact. energy: -0.096
local terms energy: -82.973870
where:
bonds (distance) C4'-P energy: -17.680
bonds (distance) P-C4' energy: -19.171
flat angles C4'-P-C4' energy: -23.220
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -12.384
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: 366
Temperature: 1.300000
Total energy: -200.940233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.940233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.949259 (E_RNA)
where:
Base-Base interactions energy: -128.078
where: short stacking energy: -64.791
Base-Backbone interact. energy: -0.396
local terms energy: -72.475527
where:
bonds (distance) C4'-P energy: -22.202
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -17.406
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -8.914
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: 6
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -185.853763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.853763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.930991 (E_RNA)
where:
Base-Base interactions energy: -112.711
where: short stacking energy: -56.284
Base-Backbone interact. energy: -0.092
local terms energy: -73.128595
where:
bonds (distance) C4'-P energy: -18.351
bonds (distance) P-C4' energy: -22.189
flat angles C4'-P-C4' energy: -12.449
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -7.437
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: 8
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -307.878525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.878525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.216613 (E_RNA)
where:
Base-Base interactions energy: -201.276
where: short stacking energy: -108.012
Base-Backbone interact. energy: -0.163
local terms energy: -107.777890
where:
bonds (distance) C4'-P energy: -25.473
bonds (distance) P-C4' energy: -18.500
flat angles C4'-P-C4' energy: -18.040
flat angles P-C4'-P energy: -14.359
tors. eta vs tors. theta energy: -31.406
Dist. restrs. and SS energy: 1.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -288.006531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.006531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.055456 (E_RNA)
where:
Base-Base interactions energy: -173.267
where: short stacking energy: -103.656
Base-Backbone interact. energy: -0.035
local terms energy: -114.753602
where:
bonds (distance) C4'-P energy: -23.210
bonds (distance) P-C4' energy: -20.928
flat angles C4'-P-C4' energy: -26.181
flat angles P-C4'-P energy: -14.886
tors. eta vs tors. theta energy: -29.549
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: 1
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -291.199932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.199932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.535405 (E_RNA)
where:
Base-Base interactions energy: -182.866
where: short stacking energy: -98.401
Base-Backbone interact. energy: -0.334
local terms energy: -110.335790
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -23.585
flat angles C4'-P-C4' energy: -23.228
flat angles P-C4'-P energy: -15.513
tors. eta vs tors. theta energy: -33.369
Dist. restrs. and SS energy: 2.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -252.765442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.765442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.506339 (E_RNA)
where:
Base-Base interactions energy: -154.683
where: short stacking energy: -85.753
Base-Backbone interact. energy: 0.049
local terms energy: -98.871848
where:
bonds (distance) C4'-P energy: -22.882
bonds (distance) P-C4' energy: -23.443
flat angles C4'-P-C4' energy: -18.106
flat angles P-C4'-P energy: -16.320
tors. eta vs tors. theta energy: -18.122
Dist. restrs. and SS energy: 0.741 (S_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: 367
Temperature: 1.100000
Total energy: -245.185696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.185696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.489154 (E_RNA)
where:
Base-Base interactions energy: -150.287
where: short stacking energy: -84.841
Base-Backbone interact. energy: 0.588
local terms energy: -95.790523
where:
bonds (distance) C4'-P energy: -17.169
bonds (distance) P-C4' energy: -22.875
flat angles C4'-P-C4' energy: -20.057
flat angles P-C4'-P energy: -12.893
tors. eta vs tors. theta energy: -22.797
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: 6, replica: 10
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -243.427370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.427370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.437470 (E_RNA)
where:
Base-Base interactions energy: -147.492
where: short stacking energy: -76.810
Base-Backbone interact. energy: -0.289
local terms energy: -95.656446
where:
bonds (distance) C4'-P energy: -19.288
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -25.758
flat angles P-C4'-P energy: -13.851
tors. eta vs tors. theta energy: -17.873
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: 367
Temperature: 1.200000
Total energy: -232.203778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.203778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.212507 (E_RNA)
where:
Base-Base interactions energy: -136.407
where: short stacking energy: -78.972
Base-Backbone interact. energy: -0.008
local terms energy: -95.798006
where:
bonds (distance) C4'-P energy: -22.041
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -26.649
flat angles P-C4'-P energy: -14.938
tors. eta vs tors. theta energy: -14.992
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: 9
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -211.353072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.353072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.469749 (E_RNA)
where:
Base-Base interactions energy: -128.759
where: short stacking energy: -55.729
Base-Backbone interact. energy: -0.146
local terms energy: -83.564435
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -22.244
flat angles C4'-P-C4' energy: -18.510
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: -14.977
Dist. restrs. and SS energy: 1.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -230.464022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.464022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.082483 (E_RNA)
where:
Base-Base interactions energy: -145.079
where: short stacking energy: -67.892
Base-Backbone interact. energy: -0.301
local terms energy: -85.702015
where:
bonds (distance) C4'-P energy: -23.404
bonds (distance) P-C4' energy: -16.499
flat angles C4'-P-C4' energy: -19.895
flat angles P-C4'-P energy: -13.444
tors. eta vs tors. theta energy: -12.459
Dist. restrs. and SS energy: 0.618 (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: 6
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -200.439038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.439038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.443729 (E_RNA)
where:
Base-Base interactions energy: -110.109
where: short stacking energy: -54.454
Base-Backbone interact. energy: -0.606
local terms energy: -89.728251
where:
bonds (distance) C4'-P energy: -20.551
bonds (distance) P-C4' energy: -22.125
flat angles C4'-P-C4' energy: -19.333
flat angles P-C4'-P energy: -14.190
tors. eta vs tors. theta energy: -13.529
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: 8
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -296.676401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.676401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.699478 (E_RNA)
where:
Base-Base interactions energy: -179.227
where: short stacking energy: -96.230
Base-Backbone interact. energy: -0.272
local terms energy: -117.199957
where:
bonds (distance) C4'-P energy: -24.049
bonds (distance) P-C4' energy: -24.515
flat angles C4'-P-C4' energy: -25.577
flat angles P-C4'-P energy: -17.484
tors. eta vs tors. theta energy: -25.576
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: 368
Temperature: 0.950000
Total energy: -287.506828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.506828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.129660 (E_RNA)
where:
Base-Base interactions energy: -173.522
where: short stacking energy: -97.000
Base-Backbone interact. energy: -0.002
local terms energy: -114.605729
where:
bonds (distance) C4'-P energy: -20.337
bonds (distance) P-C4' energy: -23.773
flat angles C4'-P-C4' energy: -24.612
flat angles P-C4'-P energy: -16.048
tors. eta vs tors. theta energy: -29.836
Dist. restrs. and SS energy: 0.623 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -271.114321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.114321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.628443 (E_RNA)
where:
Base-Base interactions energy: -166.514
where: short stacking energy: -92.501
Base-Backbone interact. energy: -0.018
local terms energy: -106.096173
where:
bonds (distance) C4'-P energy: -23.553
bonds (distance) P-C4' energy: -18.848
flat angles C4'-P-C4' energy: -26.105
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -26.683
Dist. restrs. and SS energy: 1.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -270.935542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.935542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.935542 (E_RNA)
where:
Base-Base interactions energy: -167.719
where: short stacking energy: -99.552
Base-Backbone interact. energy: -0.236
local terms energy: -102.980660
where:
bonds (distance) C4'-P energy: -19.900
bonds (distance) P-C4' energy: -19.523
flat angles C4'-P-C4' energy: -23.658
flat angles P-C4'-P energy: -13.724
tors. eta vs tors. theta energy: -26.175
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -262.327079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.327079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.512435 (E_RNA)
where:
Base-Base interactions energy: -165.071
where: short stacking energy: -91.504
Base-Backbone interact. energy: -0.066
local terms energy: -97.375497
where:
bonds (distance) C4'-P energy: -22.918
bonds (distance) P-C4' energy: -17.217
flat angles C4'-P-C4' energy: -22.481
flat angles P-C4'-P energy: -6.203
tors. eta vs tors. theta energy: -28.556
Dist. restrs. and SS energy: 0.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -207.007107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.007107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.994994 (E_RNA)
where:
Base-Base interactions energy: -127.909
where: short stacking energy: -60.284
Base-Backbone interact. energy: 2.417
local terms energy: -82.502582
where:
bonds (distance) C4'-P energy: -19.409
bonds (distance) P-C4' energy: -21.770
flat angles C4'-P-C4' energy: -17.073
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -14.845
Dist. restrs. and SS energy: 0.988 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -230.505141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.505141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.587635 (E_RNA)
where:
Base-Base interactions energy: -136.689
where: short stacking energy: -72.609
Base-Backbone interact. energy: 0.955
local terms energy: -94.853819
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -25.868
flat angles C4'-P-C4' energy: -24.169
flat angles P-C4'-P energy: -14.010
tors. eta vs tors. theta energy: -17.455
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: 368
Temperature: 1.250000
Total energy: -214.856383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.856383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.962207 (E_RNA)
where:
Base-Base interactions energy: -127.199
where: short stacking energy: -62.533
Base-Backbone interact. energy: -0.069
local terms energy: -87.694644
where:
bonds (distance) C4'-P energy: -22.845
bonds (distance) P-C4' energy: -20.353
flat angles C4'-P-C4' energy: -21.520
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -10.599
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -207.869647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.869647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.300499 (E_RNA)
where:
Base-Base interactions energy: -120.816
where: short stacking energy: -59.812
Base-Backbone interact. energy: -1.315
local terms energy: -86.169346
where:
bonds (distance) C4'-P energy: -17.625
bonds (distance) P-C4' energy: -21.767
flat angles C4'-P-C4' energy: -21.131
flat angles P-C4'-P energy: -15.323
tors. eta vs tors. theta energy: -10.325
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: 10, replica: 5
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -208.911453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.911453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.925329 (E_RNA)
where:
Base-Base interactions energy: -132.405
where: short stacking energy: -75.086
Base-Backbone interact. energy: -0.031
local terms energy: -76.489520
where:
bonds (distance) C4'-P energy: -18.001
bonds (distance) P-C4' energy: -15.111
flat angles C4'-P-C4' energy: -19.384
flat angles P-C4'-P energy: -6.824
tors. eta vs tors. theta energy: -17.169
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: 8
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -300.215706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.215706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.282921 (E_RNA)
where:
Base-Base interactions energy: -183.364
where: short stacking energy: -115.012
Base-Backbone interact. energy: 1.768
local terms energy: -118.687348
where:
bonds (distance) C4'-P energy: -20.018
bonds (distance) P-C4' energy: -23.655
flat angles C4'-P-C4' energy: -23.645
flat angles P-C4'-P energy: -17.622
tors. eta vs tors. theta energy: -33.747
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: 2
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -303.469138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.469138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.661847 (E_RNA)
where:
Base-Base interactions energy: -188.679
where: short stacking energy: -108.789
Base-Backbone interact. energy: -0.017
local terms energy: -116.965864
where:
bonds (distance) C4'-P energy: -19.922
bonds (distance) P-C4' energy: -25.079
flat angles C4'-P-C4' energy: -21.787
flat angles P-C4'-P energy: -17.613
tors. eta vs tors. theta energy: -32.565
Dist. restrs. and SS energy: 2.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -257.757556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.757556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.934963 (E_RNA)
where:
Base-Base interactions energy: -152.767
where: short stacking energy: -88.759
Base-Backbone interact. energy: -0.191
local terms energy: -104.977016
where:
bonds (distance) C4'-P energy: -22.067
bonds (distance) P-C4' energy: -20.956
flat angles C4'-P-C4' energy: -24.232
flat angles P-C4'-P energy: -13.669
tors. eta vs tors. theta energy: -24.053
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: 4, replica: 1
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -263.298692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.298692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.660670 (E_RNA)
where:
Base-Base interactions energy: -157.691
where: short stacking energy: -78.193
Base-Backbone interact. energy: -0.879
local terms energy: -105.090932
where:
bonds (distance) C4'-P energy: -21.603
bonds (distance) P-C4' energy: -22.120
flat angles C4'-P-C4' energy: -23.474
flat angles P-C4'-P energy: -15.221
tors. eta vs tors. theta energy: -22.672
Dist. restrs. and SS energy: 0.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -262.770075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.770075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.134569 (E_RNA)
where:
Base-Base interactions energy: -166.104
where: short stacking energy: -92.757
Base-Backbone interact. energy: -0.140
local terms energy: -97.890652
where:
bonds (distance) C4'-P energy: -18.779
bonds (distance) P-C4' energy: -17.844
flat angles C4'-P-C4' energy: -23.095
flat angles P-C4'-P energy: -14.439
tors. eta vs tors. theta energy: -23.734
Dist. restrs. and SS energy: 1.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -232.122167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.122167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.174755 (E_RNA)
where:
Base-Base interactions energy: -151.124
where: short stacking energy: -68.012
Base-Backbone interact. energy: -0.299
local terms energy: -80.751545
where:
bonds (distance) C4'-P energy: -19.570
bonds (distance) P-C4' energy: -19.131
flat angles C4'-P-C4' energy: -20.119
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -9.836
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: 369
Temperature: 1.200000
Total energy: -235.002962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.002962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.421069 (E_RNA)
where:
Base-Base interactions energy: -141.120
where: short stacking energy: -71.426
Base-Backbone interact. energy: -0.639
local terms energy: -94.661775
where:
bonds (distance) C4'-P energy: -19.776
bonds (distance) P-C4' energy: -23.550
flat angles C4'-P-C4' energy: -18.237
flat angles P-C4'-P energy: -15.161
tors. eta vs tors. theta energy: -17.937
Dist. restrs. and SS energy: 1.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -212.280681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.280681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.565585 (E_RNA)
where:
Base-Base interactions energy: -137.063
where: short stacking energy: -63.197
Base-Backbone interact. energy: 0.253
local terms energy: -75.755601
where:
bonds (distance) C4'-P energy: -11.185
bonds (distance) P-C4' energy: -22.063
flat angles C4'-P-C4' energy: -16.998
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: -17.265
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: 9, replica: 7
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -210.001549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.001549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.006166 (E_RNA)
where:
Base-Base interactions energy: -133.465
where: short stacking energy: -67.081
Base-Backbone interact. energy: -0.360
local terms energy: -76.180581
where:
bonds (distance) C4'-P energy: -22.910
bonds (distance) P-C4' energy: -16.345
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -6.152
tors. eta vs tors. theta energy: -13.952
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: 369
Temperature: 1.350000
Total energy: -229.019669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.019669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.060737 (E_RNA)
where:
Base-Base interactions energy: -136.540
where: short stacking energy: -70.146
Base-Backbone interact. energy: -0.018
local terms energy: -92.502556
where:
bonds (distance) C4'-P energy: -22.608
bonds (distance) P-C4' energy: -22.365
flat angles C4'-P-C4' energy: -18.696
flat angles P-C4'-P energy: -15.388
tors. eta vs tors. theta energy: -13.445
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -296.514490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.514490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.251316 (E_RNA)
where:
Base-Base interactions energy: -195.907
where: short stacking energy: -106.212
Base-Backbone interact. energy: -0.128
local terms energy: -101.216524
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -18.837
flat angles P-C4'-P energy: -19.732
tors. eta vs tors. theta energy: -27.781
Dist. restrs. and SS energy: 0.737 (S_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: 370
Temperature: 0.950000
Total energy: -294.897548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.897548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.999758 (E_RNA)
where:
Base-Base interactions energy: -179.283
where: short stacking energy: -100.770
Base-Backbone interact. energy: -0.049
local terms energy: -116.667767
where:
bonds (distance) C4'-P energy: -23.801
bonds (distance) P-C4' energy: -21.183
flat angles C4'-P-C4' energy: -23.618
flat angles P-C4'-P energy: -18.008
tors. eta vs tors. theta energy: -30.057
Dist. restrs. and SS energy: 1.102 (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: 3
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -273.681986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.681986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.681986 (E_RNA)
where:
Base-Base interactions energy: -163.526
where: short stacking energy: -89.799
Base-Backbone interact. energy: -0.317
local terms energy: -109.838666
where:
bonds (distance) C4'-P energy: -22.489
bonds (distance) P-C4' energy: -22.285
flat angles C4'-P-C4' energy: -23.357
flat angles P-C4'-P energy: -15.187
tors. eta vs tors. theta energy: -26.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -247.099749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.099749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.914981 (E_RNA)
where:
Base-Base interactions energy: -146.417
where: short stacking energy: -86.118
Base-Backbone interact. energy: -0.002
local terms energy: -101.496366
where:
bonds (distance) C4'-P energy: -19.155
bonds (distance) P-C4' energy: -22.130
flat angles C4'-P-C4' energy: -23.267
flat angles P-C4'-P energy: -14.113
tors. eta vs tors. theta energy: -22.831
Dist. restrs. and SS energy: 0.815 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -238.135836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.135836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.454039 (E_RNA)
where:
Base-Base interactions energy: -144.052
where: short stacking energy: -74.463
Base-Backbone interact. energy: -0.018
local terms energy: -94.384684
where:
bonds (distance) C4'-P energy: -18.415
bonds (distance) P-C4' energy: -20.387
flat angles C4'-P-C4' energy: -19.751
flat angles P-C4'-P energy: -14.969
tors. eta vs tors. theta energy: -20.862
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: 6, replica: 10
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -252.572242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.572242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.035096 (E_RNA)
where:
Base-Base interactions energy: -142.458
where: short stacking energy: -79.851
Base-Backbone interact. energy: -0.010
local terms energy: -110.566609
where:
bonds (distance) C4'-P energy: -22.915
bonds (distance) P-C4' energy: -25.347
flat angles C4'-P-C4' energy: -25.887
flat angles P-C4'-P energy: -13.552
tors. eta vs tors. theta energy: -22.865
Dist. restrs. and SS energy: 0.463 (S_DIST_RNA)
chem. 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: -193.415009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.415009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.464649 (E_RNA)
where:
Base-Base interactions energy: -113.536
where: short stacking energy: -58.369
Base-Backbone interact. energy: -0.044
local terms energy: -79.885164
where:
bonds (distance) C4'-P energy: -21.762
bonds (distance) P-C4' energy: -19.448
flat angles C4'-P-C4' energy: -19.082
flat angles P-C4'-P energy: -14.277
tors. eta vs tors. theta energy: -5.316
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: 4
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -224.191233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.191233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.395884 (E_RNA)
where:
Base-Base interactions energy: -145.624
where: short stacking energy: -63.340
Base-Backbone interact. energy: -0.225
local terms energy: -79.546622
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -15.546
flat angles C4'-P-C4' energy: -20.246
flat angles P-C4'-P energy: -13.930
tors. eta vs tors. theta energy: -13.064
Dist. restrs. and SS energy: 1.205 (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: 370
Temperature: 1.300000
Total energy: -218.868195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.868195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.721244 (E_RNA)
where:
Base-Base interactions energy: -135.444
where: short stacking energy: -64.971
Base-Backbone interact. energy: 0.683
local terms energy: -84.960850
where:
bonds (distance) C4'-P energy: -22.868
bonds (distance) P-C4' energy: -21.046
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -8.203
tors. eta vs tors. theta energy: -19.695
Dist. restrs. and SS energy: 0.853 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -189.336307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.336307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.540231 (E_RNA)
where:
Base-Base interactions energy: -103.593
where: short stacking energy: -57.046
Base-Backbone interact. energy: -0.049
local terms energy: -85.898422
where:
bonds (distance) C4'-P energy: -21.321
bonds (distance) P-C4' energy: -19.239
flat angles C4'-P-C4' energy: -22.537
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -12.494
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: 2
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -297.756989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.756989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.822204 (E_RNA)
where:
Base-Base interactions energy: -181.410
where: short stacking energy: -107.026
Base-Backbone interact. energy: -0.030
local terms energy: -116.381829
where:
bonds (distance) C4'-P energy: -24.516
bonds (distance) P-C4' energy: -23.446
flat angles C4'-P-C4' energy: -24.362
flat angles P-C4'-P energy: -14.636
tors. eta vs tors. theta energy: -29.422
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: 8
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -293.686646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.686646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.409209 (E_RNA)
where:
Base-Base interactions energy: -183.143
where: short stacking energy: -91.297
Base-Backbone interact. energy: 0.554
local terms energy: -112.819380
where:
bonds (distance) C4'-P energy: -23.523
bonds (distance) P-C4' energy: -18.364
flat angles C4'-P-C4' energy: -24.519
flat angles P-C4'-P energy: -21.276
tors. eta vs tors. theta energy: -25.137
Dist. restrs. and SS energy: 1.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -269.264916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.264916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.509847 (E_RNA)
where:
Base-Base interactions energy: -171.430
where: short stacking energy: -94.018
Base-Backbone interact. energy: -0.188
local terms energy: -98.891585
where:
bonds (distance) C4'-P energy: -8.560
bonds (distance) P-C4' energy: -22.485
flat angles C4'-P-C4' energy: -27.234
flat angles P-C4'-P energy: -13.982
tors. eta vs tors. theta energy: -26.631
Dist. restrs. and SS energy: 1.245 (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: 9
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -264.078523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.078523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.146255 (E_RNA)
where:
Base-Base interactions energy: -155.990
where: short stacking energy: -90.371
Base-Backbone interact. energy: -0.343
local terms energy: -107.813033
where:
bonds (distance) C4'-P energy: -23.214
bonds (distance) P-C4' energy: -21.300
flat angles C4'-P-C4' energy: -22.395
flat angles P-C4'-P energy: -17.674
tors. eta vs tors. theta energy: -23.230
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: 1
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -244.235882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.235882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.473957 (E_RNA)
where:
Base-Base interactions energy: -158.065
where: short stacking energy: -77.024
Base-Backbone interact. energy: -0.040
local terms energy: -87.369441
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -24.597
flat angles C4'-P-C4' energy: -19.140
flat angles P-C4'-P energy: -13.786
tors. eta vs tors. theta energy: -18.060
Dist. restrs. and SS energy: 1.238 (S_DIST_RNA)
chem. 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: -227.535193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.535193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.550663 (E_RNA)
where:
Base-Base interactions energy: -142.227
where: short stacking energy: -72.045
Base-Backbone interact. energy: -0.371
local terms energy: -84.953384
where:
bonds (distance) C4'-P energy: -17.165
bonds (distance) P-C4' energy: -17.264
flat angles C4'-P-C4' energy: -20.421
flat angles P-C4'-P energy: -14.299
tors. eta vs tors. theta energy: -15.804
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -241.313550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.313550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.314994 (E_RNA)
where:
Base-Base interactions energy: -142.633
where: short stacking energy: -75.436
Base-Backbone interact. energy: -0.294
local terms energy: -98.387872
where:
bonds (distance) C4'-P energy: -24.616
bonds (distance) P-C4' energy: -24.625
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -16.240
tors. eta vs tors. theta energy: -17.844
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: 5
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -217.907486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.907486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.816037 (E_RNA)
where:
Base-Base interactions energy: -144.781
where: short stacking energy: -68.453
Base-Backbone interact. energy: -0.142
local terms energy: -73.893910
where:
bonds (distance) C4'-P energy: -17.815
bonds (distance) P-C4' energy: -17.321
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -14.324
Dist. restrs. and SS energy: 0.909 (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: 4
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -218.184998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.184998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.223523 (E_RNA)
where:
Base-Base interactions energy: -134.177
where: short stacking energy: -69.568
Base-Backbone interact. energy: 0.299
local terms energy: -84.344698
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -23.641
flat angles C4'-P-C4' energy: -19.795
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -17.728
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: 7
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -206.024947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.024947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.093145 (E_RNA)
where:
Base-Base interactions energy: -119.137
where: short stacking energy: -57.793
Base-Backbone interact. energy: -0.685
local terms energy: -86.271212
where:
bonds (distance) C4'-P energy: -19.384
bonds (distance) P-C4' energy: -24.995
flat angles C4'-P-C4' energy: -21.488
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -8.926
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: 372
Temperature: 0.900000
Total energy: -310.284361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.284361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.559789 (E_RNA)
where:
Base-Base interactions energy: -188.431
where: short stacking energy: -106.464
Base-Backbone interact. energy: -0.047
local terms energy: -122.082477
where:
bonds (distance) C4'-P energy: -22.361
bonds (distance) P-C4' energy: -25.001
flat angles C4'-P-C4' energy: -25.496
flat angles P-C4'-P energy: -15.974
tors. eta vs tors. theta energy: -33.250
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: 2, replica: 8
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -281.499906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.499906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.499906 (E_RNA)
where:
Base-Base interactions energy: -175.597
where: short stacking energy: -101.849
Base-Backbone interact. energy: -0.145
local terms energy: -105.757594
where:
bonds (distance) C4'-P energy: -20.877
bonds (distance) P-C4' energy: -25.946
flat angles C4'-P-C4' energy: -18.645
flat angles P-C4'-P energy: -14.846
tors. eta vs tors. theta energy: -25.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -269.011100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.011100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.741918 (E_RNA)
where:
Base-Base interactions energy: -169.202
where: short stacking energy: -90.980
Base-Backbone interact. energy: -0.327
local terms energy: -100.212446
where:
bonds (distance) C4'-P energy: -22.359
bonds (distance) P-C4' energy: -19.361
flat angles C4'-P-C4' energy: -21.615
flat angles P-C4'-P energy: -12.888
tors. eta vs tors. theta energy: -23.990
Dist. restrs. and SS energy: 0.731 (S_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: 372
Temperature: 1.050000
Total energy: -252.182805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.182805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.182805 (E_RNA)
where:
Base-Base interactions energy: -147.780
where: short stacking energy: -81.294
Base-Backbone interact. energy: -0.030
local terms energy: -104.372992
where:
bonds (distance) C4'-P energy: -21.667
bonds (distance) P-C4' energy: -27.909
flat angles C4'-P-C4' energy: -21.273
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -23.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -238.201492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.201492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.266106 (E_RNA)
where:
Base-Base interactions energy: -143.872
where: short stacking energy: -73.139
Base-Backbone interact. energy: -0.178
local terms energy: -94.216497
where:
bonds (distance) C4'-P energy: -20.374
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -23.413
flat angles P-C4'-P energy: -19.591
tors. eta vs tors. theta energy: -15.474
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: 1
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -244.969295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.969295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.287464 (E_RNA)
where:
Base-Base interactions energy: -147.923
where: short stacking energy: -82.275
Base-Backbone interact. energy: -0.071
local terms energy: -97.293773
where:
bonds (distance) C4'-P energy: -22.589
bonds (distance) P-C4' energy: -18.074
flat angles C4'-P-C4' energy: -23.954
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -20.025
Dist. restrs. and SS energy: 0.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -237.774020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.774020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.141014 (E_RNA)
where:
Base-Base interactions energy: -145.354
where: short stacking energy: -79.897
Base-Backbone interact. energy: -0.088
local terms energy: -92.699652
where:
bonds (distance) C4'-P energy: -16.267
bonds (distance) P-C4' energy: -19.420
flat angles C4'-P-C4' energy: -22.116
flat angles P-C4'-P energy: -15.501
tors. eta vs tors. theta energy: -19.396
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: 8, replica: 5
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -225.456581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.456581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.063864 (E_RNA)
where:
Base-Base interactions energy: -141.152
where: short stacking energy: -70.216
Base-Backbone interact. energy: -0.785
local terms energy: -85.126727
where:
bonds (distance) C4'-P energy: -21.711
bonds (distance) P-C4' energy: -17.894
flat angles C4'-P-C4' energy: -21.861
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -13.249
Dist. restrs. and SS energy: 1.607 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -200.745402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.745402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.792751 (E_RNA)
where:
Base-Base interactions energy: -134.631
where: short stacking energy: -69.839
Base-Backbone interact. energy: -0.085
local terms energy: -66.077625
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -9.624
flat angles P-C4'-P energy: -14.140
tors. eta vs tors. theta energy: -12.442
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: 10, replica: 4
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -209.819937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.819937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.933233 (E_RNA)
where:
Base-Base interactions energy: -123.898
where: short stacking energy: -59.548
Base-Backbone interact. energy: -2.485
local terms energy: -83.550180
where:
bonds (distance) C4'-P energy: -17.651
bonds (distance) P-C4' energy: -22.993
flat angles C4'-P-C4' energy: -23.417
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -7.200
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: 1, replica: 2
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -297.898287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.898287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.901264 (E_RNA)
where:
Base-Base interactions energy: -180.386
where: short stacking energy: -100.996
Base-Backbone interact. energy: -0.022
local terms energy: -117.493324
where:
bonds (distance) C4'-P energy: -22.238
bonds (distance) P-C4' energy: -25.481
flat angles C4'-P-C4' energy: -25.778
flat angles P-C4'-P energy: -15.409
tors. eta vs tors. theta energy: -28.587
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: 373
Temperature: 0.950000
Total energy: -286.363928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.363928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.420164 (E_RNA)
where:
Base-Base interactions energy: -174.479
where: short stacking energy: -99.683
Base-Backbone interact. energy: -0.178
local terms energy: -111.763266
where:
bonds (distance) C4'-P energy: -25.416
bonds (distance) P-C4' energy: -20.377
flat angles C4'-P-C4' energy: -25.367
flat angles P-C4'-P energy: -13.010
tors. eta vs tors. theta energy: -27.593
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -281.306639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.306639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.423634 (E_RNA)
where:
Base-Base interactions energy: -175.769
where: short stacking energy: -102.352
Base-Backbone interact. energy: -0.087
local terms energy: -107.568044
where:
bonds (distance) C4'-P energy: -23.222
bonds (distance) P-C4' energy: -19.064
flat angles C4'-P-C4' energy: -21.066
flat angles P-C4'-P energy: -17.072
tors. eta vs tors. theta energy: -27.145
Dist. restrs. and SS energy: 2.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -257.240586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.240586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.276162 (E_RNA)
where:
Base-Base interactions energy: -155.756
where: short stacking energy: -87.631
Base-Backbone interact. energy: -0.309
local terms energy: -101.211370
where:
bonds (distance) C4'-P energy: -20.148
bonds (distance) P-C4' energy: -22.757
flat angles C4'-P-C4' energy: -23.631
flat angles P-C4'-P energy: -12.940
tors. eta vs tors. theta energy: -21.735
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: 373
Temperature: 1.100000
Total energy: -271.636315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.636315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.682801 (E_RNA)
where:
Base-Base interactions energy: -160.326
where: short stacking energy: -88.874
Base-Backbone interact. energy: -0.024
local terms energy: -111.333758
where:
bonds (distance) C4'-P energy: -19.495
bonds (distance) P-C4' energy: -23.315
flat angles C4'-P-C4' energy: -22.575
flat angles P-C4'-P energy: -19.888
tors. eta vs tors. theta energy: -26.060
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: 1
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -247.839579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.839579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.944252 (E_RNA)
where:
Base-Base interactions energy: -149.736
where: short stacking energy: -69.261
Base-Backbone interact. energy: -0.767
local terms energy: -97.441156
where:
bonds (distance) C4'-P energy: -24.599
bonds (distance) P-C4' energy: -21.011
flat angles C4'-P-C4' energy: -23.217
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -18.096
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: 10
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -231.854361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.854361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.018763 (E_RNA)
where:
Base-Base interactions energy: -140.767
where: short stacking energy: -71.607
Base-Backbone interact. energy: -1.363
local terms energy: -89.889064
where:
bonds (distance) C4'-P energy: -20.920
bonds (distance) P-C4' energy: -20.732
flat angles C4'-P-C4' energy: -20.127
flat angles P-C4'-P energy: -14.171
tors. eta vs tors. theta energy: -13.939
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -227.691599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.691599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.858551 (E_RNA)
where:
Base-Base interactions energy: -135.744
where: short stacking energy: -68.894
Base-Backbone interact. energy: -0.044
local terms energy: -92.070554
where:
bonds (distance) C4'-P energy: -18.556
bonds (distance) P-C4' energy: -20.177
flat angles C4'-P-C4' energy: -21.132
flat angles P-C4'-P energy: -18.753
tors. eta vs tors. theta energy: -13.452
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: 5
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -207.362906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.362906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.514198 (E_RNA)
where:
Base-Base interactions energy: -133.284
where: short stacking energy: -72.236
Base-Backbone interact. energy: -0.017
local terms energy: -74.213439
where:
bonds (distance) C4'-P energy: -21.927
bonds (distance) P-C4' energy: -18.286
flat angles C4'-P-C4' energy: -12.225
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -10.191
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: 10, replica: 4
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -208.178370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.178370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.400718 (E_RNA)
where:
Base-Base interactions energy: -128.000
where: short stacking energy: -65.760
Base-Backbone interact. energy: -0.102
local terms energy: -80.297928
where:
bonds (distance) C4'-P energy: -21.086
bonds (distance) P-C4' energy: -11.382
flat angles C4'-P-C4' energy: -20.489
flat angles P-C4'-P energy: -14.225
tors. eta vs tors. theta energy: -13.116
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: 2
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -291.029295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.029295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.098024 (E_RNA)
where:
Base-Base interactions energy: -170.579
where: short stacking energy: -105.435
Base-Backbone interact. energy: 0.493
local terms energy: -121.012178
where:
bonds (distance) C4'-P energy: -21.773
bonds (distance) P-C4' energy: -25.134
flat angles C4'-P-C4' energy: -25.483
flat angles P-C4'-P energy: -15.968
tors. eta vs tors. theta energy: -32.654
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: 3
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -292.211801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.211801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.249134 (E_RNA)
where:
Base-Base interactions energy: -169.274
where: short stacking energy: -101.844
Base-Backbone interact. energy: -0.048
local terms energy: -122.926204
where:
bonds (distance) C4'-P energy: -22.886
bonds (distance) P-C4' energy: -22.671
flat angles C4'-P-C4' energy: -24.616
flat angles P-C4'-P energy: -20.412
tors. eta vs tors. theta energy: -32.342
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: 6
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -266.677237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.677237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.731965 (E_RNA)
where:
Base-Base interactions energy: -165.080
where: short stacking energy: -84.666
Base-Backbone interact. energy: -0.230
local terms energy: -101.422083
where:
bonds (distance) C4'-P energy: -24.888
bonds (distance) P-C4' energy: -22.419
flat angles C4'-P-C4' energy: -22.550
flat angles P-C4'-P energy: -12.447
tors. eta vs tors. theta energy: -19.119
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -262.888156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.888156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.981042 (E_RNA)
where:
Base-Base interactions energy: -159.580
where: short stacking energy: -87.172
Base-Backbone interact. energy: -0.215
local terms energy: -103.185829
where:
bonds (distance) C4'-P energy: -20.058
bonds (distance) P-C4' energy: -21.840
flat angles C4'-P-C4' energy: -23.021
flat angles P-C4'-P energy: -14.254
tors. eta vs tors. theta energy: -24.012
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -237.282200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.282200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.298673 (E_RNA)
where:
Base-Base interactions energy: -144.317
where: short stacking energy: -79.080
Base-Backbone interact. energy: -0.458
local terms energy: -92.523083
where:
bonds (distance) C4'-P energy: -21.134
bonds (distance) P-C4' energy: -17.687
flat angles C4'-P-C4' energy: -19.465
flat angles P-C4'-P energy: -14.663
tors. eta vs tors. theta energy: -19.574
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: 1
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -234.541455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.541455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.578364 (E_RNA)
where:
Base-Base interactions energy: -141.275
where: short stacking energy: -70.144
Base-Backbone interact. energy: -0.287
local terms energy: -93.015531
where:
bonds (distance) C4'-P energy: -17.015
bonds (distance) P-C4' energy: -21.877
flat angles C4'-P-C4' energy: -21.539
flat angles P-C4'-P energy: -15.681
tors. eta vs tors. theta energy: -16.903
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: 10
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -228.455012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.455012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.705189 (E_RNA)
where:
Base-Base interactions energy: -130.358
where: short stacking energy: -69.029
Base-Backbone interact. energy: -0.102
local terms energy: -98.245840
where:
bonds (distance) C4'-P energy: -21.938
bonds (distance) P-C4' energy: -23.968
flat angles C4'-P-C4' energy: -18.520
flat angles P-C4'-P energy: -16.962
tors. eta vs tors. theta energy: -16.858
Dist. restrs. and SS energy: 0.250 (S_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: 374
Temperature: 1.250000
Total energy: -204.525518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.525518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.716208 (E_RNA)
where:
Base-Base interactions energy: -133.234
where: short stacking energy: -69.233
Base-Backbone interact. energy: 0.524
local terms energy: -72.006278
where:
bonds (distance) C4'-P energy: -18.468
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -17.268
flat angles P-C4'-P energy: -5.720
tors. eta vs tors. theta energy: -13.395
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: 9, replica: 4
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -197.247643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.247643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.576161 (E_RNA)
where:
Base-Base interactions energy: -122.296
where: short stacking energy: -65.002
Base-Backbone interact. energy: -0.165
local terms energy: -75.115215
where:
bonds (distance) C4'-P energy: -17.558
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -19.603
flat angles P-C4'-P energy: -7.892
tors. eta vs tors. theta energy: -14.034
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: 10, replica: 5
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -218.551559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.551559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.537854 (E_RNA)
where:
Base-Base interactions energy: -134.907
where: short stacking energy: -65.986
Base-Backbone interact. energy: 0.139
local terms energy: -85.768971
where:
bonds (distance) C4'-P energy: -24.564
bonds (distance) P-C4' energy: -21.362
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -10.698
tors. eta vs tors. theta energy: -14.777
Dist. restrs. and SS energy: 1.986 (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: 2
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -295.304160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.304160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.341909 (E_RNA)
where:
Base-Base interactions energy: -182.664
where: short stacking energy: -104.628
Base-Backbone interact. energy: -0.115
local terms energy: -112.563107
where:
bonds (distance) C4'-P energy: -17.120
bonds (distance) P-C4' energy: -23.838
flat angles C4'-P-C4' energy: -24.441
flat angles P-C4'-P energy: -16.520
tors. eta vs tors. theta energy: -30.646
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: 6
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -286.122477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.122477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.182436 (E_RNA)
where:
Base-Base interactions energy: -173.046
where: short stacking energy: -91.357
Base-Backbone interact. energy: 0.452
local terms energy: -113.588834
where:
bonds (distance) C4'-P energy: -22.417
bonds (distance) P-C4' energy: -24.624
flat angles C4'-P-C4' energy: -25.260
flat angles P-C4'-P energy: -16.140
tors. eta vs tors. theta energy: -25.147
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: 3
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -267.406182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.406182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.649371 (E_RNA)
where:
Base-Base interactions energy: -164.165
where: short stacking energy: -100.806
Base-Backbone interact. energy: -0.004
local terms energy: -103.481111
where:
bonds (distance) C4'-P energy: -19.844
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -21.755
flat angles P-C4'-P energy: -15.397
tors. eta vs tors. theta energy: -29.991
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: 4, replica: 8
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -250.512570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.512570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.678956 (E_RNA)
where:
Base-Base interactions energy: -151.021
where: short stacking energy: -89.542
Base-Backbone interact. energy: -0.744
local terms energy: -98.914238
where:
bonds (distance) C4'-P energy: -25.208
bonds (distance) P-C4' energy: -21.832
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -14.872
tors. eta vs tors. theta energy: -21.025
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: 5, replica: 9
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -233.248662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.248662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.320476 (E_RNA)
where:
Base-Base interactions energy: -144.061
where: short stacking energy: -83.100
Base-Backbone interact. energy: -0.003
local terms energy: -89.256456
where:
bonds (distance) C4'-P energy: -16.595
bonds (distance) P-C4' energy: -19.829
flat angles C4'-P-C4' energy: -20.797
flat angles P-C4'-P energy: -14.338
tors. eta vs tors. theta energy: -17.698
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: 10
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -243.217758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.217758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.260264 (E_RNA)
where:
Base-Base interactions energy: -146.463
where: short stacking energy: -80.099
Base-Backbone interact. energy: -1.066
local terms energy: -95.730736
where:
bonds (distance) C4'-P energy: -23.019
bonds (distance) P-C4' energy: -20.987
flat angles C4'-P-C4' energy: -23.232
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -18.167
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: 1
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -216.109638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.109638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.249904 (E_RNA)
where:
Base-Base interactions energy: -130.283
where: short stacking energy: -65.552
Base-Backbone interact. energy: -0.110
local terms energy: -85.857015
where:
bonds (distance) C4'-P energy: -20.118
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -18.488
flat angles P-C4'-P energy: -15.977
tors. eta vs tors. theta energy: -17.675
Dist. restrs. and SS energy: 0.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -217.385581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.385581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.470052 (E_RNA)
where:
Base-Base interactions energy: -126.316
where: short stacking energy: -66.128
Base-Backbone interact. energy: -0.040
local terms energy: -91.113892
where:
bonds (distance) C4'-P energy: -19.822
bonds (distance) P-C4' energy: -20.498
flat angles C4'-P-C4' energy: -22.668
flat angles P-C4'-P energy: -14.054
tors. eta vs tors. theta energy: -14.073
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: 7
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -196.577635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.577635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.591814 (E_RNA)
where:
Base-Base interactions energy: -118.876
where: short stacking energy: -54.670
Base-Backbone interact. energy: -0.730
local terms energy: -76.985784
where:
bonds (distance) C4'-P energy: -10.359
bonds (distance) P-C4' energy: -25.086
flat angles C4'-P-C4' energy: -19.844
flat angles P-C4'-P energy: -15.026
tors. eta vs tors. theta energy: -6.671
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: 5
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -190.690303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.690303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.039015 (E_RNA)
where:
Base-Base interactions energy: -107.931
where: short stacking energy: -50.324
Base-Backbone interact. energy: 1.152
local terms energy: -84.259511
where:
bonds (distance) C4'-P energy: -20.940
bonds (distance) P-C4' energy: -19.628
flat angles C4'-P-C4' energy: -21.713
flat angles P-C4'-P energy: -15.358
tors. eta vs tors. theta energy: -6.620
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: 1, replica: 2
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -295.144672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.144672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.207516 (E_RNA)
where:
Base-Base interactions energy: -184.578
where: short stacking energy: -96.450
Base-Backbone interact. energy: -0.088
local terms energy: -110.541270
where:
bonds (distance) C4'-P energy: -20.874
bonds (distance) P-C4' energy: -21.699
flat angles C4'-P-C4' energy: -23.171
flat angles P-C4'-P energy: -16.779
tors. eta vs tors. theta energy: -28.019
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: 6
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -293.654814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.654814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.359355 (E_RNA)
where:
Base-Base interactions energy: -186.862
where: short stacking energy: -91.895
Base-Backbone interact. energy: -0.228
local terms energy: -108.269571
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -22.924
flat angles C4'-P-C4' energy: -23.409
flat angles P-C4'-P energy: -17.101
tors. eta vs tors. theta energy: -29.925
Dist. restrs. and SS energy: 1.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -276.512473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.512473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.560513 (E_RNA)
where:
Base-Base interactions energy: -159.059
where: short stacking energy: -93.946
Base-Backbone interact. energy: -0.084
local terms energy: -117.418274
where:
bonds (distance) C4'-P energy: -22.434
bonds (distance) P-C4' energy: -26.788
flat angles C4'-P-C4' energy: -18.607
flat angles P-C4'-P energy: -22.194
tors. eta vs tors. theta energy: -27.396
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -261.249811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.249811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.193499 (E_RNA)
where:
Base-Base interactions energy: -163.706
where: short stacking energy: -86.409
Base-Backbone interact. energy: 0.213
local terms energy: -99.700671
where:
bonds (distance) C4'-P energy: -17.360
bonds (distance) P-C4' energy: -20.269
flat angles C4'-P-C4' energy: -20.461
flat angles P-C4'-P energy: -14.877
tors. eta vs tors. theta energy: -26.734
Dist. restrs. and SS energy: 1.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -251.408186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.408186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.805687 (E_RNA)
where:
Base-Base interactions energy: -151.765
where: short stacking energy: -79.314
Base-Backbone interact. energy: -0.121
local terms energy: -100.919486
where:
bonds (distance) C4'-P energy: -22.178
bonds (distance) P-C4' energy: -17.410
flat angles C4'-P-C4' energy: -21.757
flat angles P-C4'-P energy: -17.645
tors. eta vs tors. theta energy: -21.929
Dist. restrs. and SS energy: 1.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -230.590055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.590055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.605021 (E_RNA)
where:
Base-Base interactions energy: -137.395
where: short stacking energy: -74.302
Base-Backbone interact. energy: 0.952
local terms energy: -94.162072
where:
bonds (distance) C4'-P energy: -22.458
bonds (distance) P-C4' energy: -18.546
flat angles C4'-P-C4' energy: -25.256
flat angles P-C4'-P energy: -16.545
tors. eta vs tors. theta energy: -11.356
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: 1
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -224.753597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.753597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.924443 (E_RNA)
where:
Base-Base interactions energy: -136.329
where: short stacking energy: -79.720
Base-Backbone interact. energy: -0.877
local terms energy: -87.717972
where:
bonds (distance) C4'-P energy: -20.915
bonds (distance) P-C4' energy: -18.475
flat angles C4'-P-C4' energy: -17.156
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: -19.841
Dist. restrs. and SS energy: 0.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -217.696974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.696974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.762778 (E_RNA)
where:
Base-Base interactions energy: -129.656
where: short stacking energy: -72.356
Base-Backbone interact. energy: -0.082
local terms energy: -88.024679
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -22.757
flat angles P-C4'-P energy: -17.528
tors. eta vs tors. theta energy: -16.112
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: 5
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -219.187270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.187270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.217660 (E_RNA)
where:
Base-Base interactions energy: -124.137
where: short stacking energy: -60.014
Base-Backbone interact. energy: -0.324
local terms energy: -94.757034
where:
bonds (distance) C4'-P energy: -21.664
bonds (distance) P-C4' energy: -22.003
flat angles C4'-P-C4' energy: -22.878
flat angles P-C4'-P energy: -16.803
tors. eta vs tors. theta energy: -11.409
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: 7
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -193.967492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.967492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.229192 (E_RNA)
where:
Base-Base interactions energy: -119.497
where: short stacking energy: -65.581
Base-Backbone interact. energy: -0.573
local terms energy: -74.159444
where:
bonds (distance) C4'-P energy: -16.523
bonds (distance) P-C4' energy: -15.791
flat angles C4'-P-C4' energy: -19.445
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -12.609
Dist. restrs. and SS energy: 0.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -286.589691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.589691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.049356 (E_RNA)
where:
Base-Base interactions energy: -174.653
where: short stacking energy: -100.743
Base-Backbone interact. energy: -0.045
local terms energy: -112.350865
where:
bonds (distance) C4'-P energy: -22.158
bonds (distance) P-C4' energy: -22.048
flat angles C4'-P-C4' energy: -24.507
flat angles P-C4'-P energy: -14.980
tors. eta vs tors. theta energy: -28.658
Dist. restrs. and SS energy: 0.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -284.268570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.268570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.356003 (E_RNA)
where:
Base-Base interactions energy: -181.646
where: short stacking energy: -90.439
Base-Backbone interact. energy: -0.317
local terms energy: -102.392209
where:
bonds (distance) C4'-P energy: -18.881
bonds (distance) P-C4' energy: -23.435
flat angles C4'-P-C4' energy: -23.818
flat angles P-C4'-P energy: -11.173
tors. eta vs tors. theta energy: -25.085
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: 377
Temperature: 1.000000
Total energy: -294.174459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.174459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.052080 (E_RNA)
where:
Base-Base interactions energy: -181.518
where: short stacking energy: -91.889
Base-Backbone interact. energy: -0.149
local terms energy: -115.385276
where:
bonds (distance) C4'-P energy: -24.265
bonds (distance) P-C4' energy: -25.799
flat angles C4'-P-C4' energy: -20.529
flat angles P-C4'-P energy: -17.225
tors. eta vs tors. theta energy: -27.566
Dist. restrs. and SS energy: 2.878 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -263.270695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.270695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.158254 (E_RNA)
where:
Base-Base interactions energy: -158.292
where: short stacking energy: -82.259
Base-Backbone interact. energy: -0.141
local terms energy: -105.724875
where:
bonds (distance) C4'-P energy: -19.626
bonds (distance) P-C4' energy: -23.583
flat angles C4'-P-C4' energy: -20.670
flat angles P-C4'-P energy: -18.624
tors. eta vs tors. theta energy: -23.221
Dist. restrs. and SS energy: 0.888 (S_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: 377
Temperature: 1.100000
Total energy: -253.288765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.288765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.370765 (E_RNA)
where:
Base-Base interactions energy: -168.436
where: short stacking energy: -80.257
Base-Backbone interact. energy: -0.436
local terms energy: -85.498412
where:
bonds (distance) C4'-P energy: -15.948
bonds (distance) P-C4' energy: -18.674
flat angles C4'-P-C4' energy: -20.849
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: -17.702
Dist. restrs. and SS energy: 1.082 (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: 1
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -241.085745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.085745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.120683 (E_RNA)
where:
Base-Base interactions energy: -154.073
where: short stacking energy: -81.353
Base-Backbone interact. energy: -0.446
local terms energy: -86.602350
where:
bonds (distance) C4'-P energy: -11.314
bonds (distance) P-C4' energy: -19.018
flat angles C4'-P-C4' energy: -21.511
flat angles P-C4'-P energy: -14.670
tors. eta vs tors. theta energy: -20.089
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: 377
Temperature: 1.200000
Total energy: -205.395668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.395668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.498844 (E_RNA)
where:
Base-Base interactions energy: -121.065
where: short stacking energy: -64.599
Base-Backbone interact. energy: -0.464
local terms energy: -83.970632
where:
bonds (distance) C4'-P energy: -20.941
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -18.666
flat angles P-C4'-P energy: -14.343
tors. eta vs tors. theta energy: -13.237
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: 4
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -208.793736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.793736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.793736 (E_RNA)
where:
Base-Base interactions energy: -118.686
where: short stacking energy: -59.901
Base-Backbone interact. energy: 0.534
local terms energy: -90.642110
where:
bonds (distance) C4'-P energy: -22.901
bonds (distance) P-C4' energy: -21.480
flat angles C4'-P-C4' energy: -23.691
flat angles P-C4'-P energy: -13.711
tors. eta vs tors. theta energy: -8.859
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -211.303931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.303931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.373421 (E_RNA)
where:
Base-Base interactions energy: -139.132
where: short stacking energy: -68.720
Base-Backbone interact. energy: -0.308
local terms energy: -71.933379
where:
bonds (distance) C4'-P energy: -16.533
bonds (distance) P-C4' energy: -19.070
flat angles C4'-P-C4' energy: -19.374
flat angles P-C4'-P energy: -4.917
tors. eta vs tors. theta energy: -12.040
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: 7
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -196.314380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.314380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.508618 (E_RNA)
where:
Base-Base interactions energy: -115.463
where: short stacking energy: -57.739
Base-Backbone interact. energy: 1.878
local terms energy: -82.923611
where:
bonds (distance) C4'-P energy: -17.689
bonds (distance) P-C4' energy: -18.951
flat angles C4'-P-C4' energy: -18.370
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -15.167
Dist. restrs. and SS energy: 0.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -295.940603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.940603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.994800 (E_RNA)
where:
Base-Base interactions energy: -183.155
where: short stacking energy: -101.370
Base-Backbone interact. energy: -0.461
local terms energy: -112.378758
where:
bonds (distance) C4'-P energy: -20.852
bonds (distance) P-C4' energy: -20.958
flat angles C4'-P-C4' energy: -24.134
flat angles P-C4'-P energy: -13.913
tors. eta vs tors. theta energy: -32.522
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -287.002505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.002505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.050361 (E_RNA)
where:
Base-Base interactions energy: -178.781
where: short stacking energy: -103.524
Base-Backbone interact. energy: -0.006
local terms energy: -108.263074
where:
bonds (distance) C4'-P energy: -18.075
bonds (distance) P-C4' energy: -22.920
flat angles C4'-P-C4' energy: -23.157
flat angles P-C4'-P energy: -15.743
tors. eta vs tors. theta energy: -28.367
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -270.779922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.779922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.989787 (E_RNA)
where:
Base-Base interactions energy: -175.833
where: short stacking energy: -99.901
Base-Backbone interact. energy: -0.049
local terms energy: -95.107806
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -19.861
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -14.709
tors. eta vs tors. theta energy: -27.387
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: 378
Temperature: 1.050000
Total energy: -270.367329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.367329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.536468 (E_RNA)
where:
Base-Base interactions energy: -169.042
where: short stacking energy: -89.260
Base-Backbone interact. energy: -0.274
local terms energy: -101.220319
where:
bonds (distance) C4'-P energy: -23.670
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -23.536
flat angles P-C4'-P energy: -14.752
tors. eta vs tors. theta energy: -23.918
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: 5, replica: 8
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -266.824580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.824580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.542649 (E_RNA)
where:
Base-Base interactions energy: -167.608
where: short stacking energy: -87.781
Base-Backbone interact. energy: -0.094
local terms energy: -101.840339
where:
bonds (distance) C4'-P energy: -18.042
bonds (distance) P-C4' energy: -16.978
flat angles C4'-P-C4' energy: -17.218
flat angles P-C4'-P energy: -18.355
tors. eta vs tors. theta energy: -31.247
Dist. restrs. and SS energy: 2.718 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -242.492767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.492767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.993212 (E_RNA)
where:
Base-Base interactions energy: -151.374
where: short stacking energy: -71.238
Base-Backbone interact. energy: -0.054
local terms energy: -91.565439
where:
bonds (distance) C4'-P energy: -20.319
bonds (distance) P-C4' energy: -23.434
flat angles C4'-P-C4' energy: -17.605
flat angles P-C4'-P energy: -13.848
tors. eta vs tors. theta energy: -16.360
Dist. restrs. and SS energy: 0.500 (S_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: 378
Temperature: 1.200000
Total energy: -225.729549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.729549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.860522 (E_RNA)
where:
Base-Base interactions energy: -143.894
where: short stacking energy: -74.263
Base-Backbone interact. energy: 0.105
local terms energy: -82.071106
where:
bonds (distance) C4'-P energy: -18.771
bonds (distance) P-C4' energy: -21.441
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -6.030
tors. eta vs tors. theta energy: -21.274
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: 378
Temperature: 1.250000
Total energy: -221.157467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.157467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.184595 (E_RNA)
where:
Base-Base interactions energy: -134.744
where: short stacking energy: -68.253
Base-Backbone interact. energy: -0.196
local terms energy: -86.244030
where:
bonds (distance) C4'-P energy: -18.460
bonds (distance) P-C4' energy: -16.961
flat angles C4'-P-C4' energy: -20.022
flat angles P-C4'-P energy: -12.566
tors. eta vs tors. theta energy: -18.236
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -221.589451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.589451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.606487 (E_RNA)
where:
Base-Base interactions energy: -133.914
where: short stacking energy: -67.512
Base-Backbone interact. energy: -0.190
local terms energy: -87.502555
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -20.215
flat angles C4'-P-C4' energy: -19.091
flat angles P-C4'-P energy: -17.455
tors. eta vs tors. theta energy: -14.702
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: 7
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -197.229453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.229453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.484544 (E_RNA)
where:
Base-Base interactions energy: -120.149
where: short stacking energy: -58.223
Base-Backbone interact. energy: -0.012
local terms energy: -77.323071
where:
bonds (distance) C4'-P energy: -22.406
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -12.834
tors. eta vs tors. theta energy: -8.343
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: 1, replica: 3
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -303.219818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.219818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.402773 (E_RNA)
where:
Base-Base interactions energy: -184.392
where: short stacking energy: -99.758
Base-Backbone interact. energy: -0.868
local terms energy: -118.143085
where:
bonds (distance) C4'-P energy: -24.893
bonds (distance) P-C4' energy: -23.228
flat angles C4'-P-C4' energy: -26.191
flat angles P-C4'-P energy: -20.212
tors. eta vs tors. theta energy: -23.619
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: 2
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -284.971905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.971905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.994934 (E_RNA)
where:
Base-Base interactions energy: -172.884
where: short stacking energy: -102.879
Base-Backbone interact. energy: -0.174
local terms energy: -111.936909
where:
bonds (distance) C4'-P energy: -19.387
bonds (distance) P-C4' energy: -23.450
flat angles C4'-P-C4' energy: -26.199
flat angles P-C4'-P energy: -16.260
tors. eta vs tors. theta energy: -26.641
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -268.056982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.056982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.368082 (E_RNA)
where:
Base-Base interactions energy: -162.375
where: short stacking energy: -93.269
Base-Backbone interact. energy: -0.096
local terms energy: -105.897602
where:
bonds (distance) C4'-P energy: -18.696
bonds (distance) P-C4' energy: -25.995
flat angles C4'-P-C4' energy: -22.275
flat angles P-C4'-P energy: -14.072
tors. eta vs tors. theta energy: -24.859
Dist. restrs. and SS energy: 0.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -257.316893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.316893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.386769 (E_RNA)
where:
Base-Base interactions energy: -163.980
where: short stacking energy: -90.046
Base-Backbone interact. energy: 0.659
local terms energy: -94.066582
where:
bonds (distance) C4'-P energy: -21.691
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -18.625
flat angles P-C4'-P energy: -13.713
tors. eta vs tors. theta energy: -23.813
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -235.667496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.667496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.305780 (E_RNA)
where:
Base-Base interactions energy: -150.209
where: short stacking energy: -78.741
Base-Backbone interact. energy: -0.232
local terms energy: -86.864049
where:
bonds (distance) C4'-P energy: -18.031
bonds (distance) P-C4' energy: -17.243
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -19.717
tors. eta vs tors. theta energy: -18.534
Dist. restrs. and SS energy: 1.638 (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: 4
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -247.588691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.588691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.017210 (E_RNA)
where:
Base-Base interactions energy: -152.421
where: short stacking energy: -79.042
Base-Backbone interact. energy: -0.794
local terms energy: -95.802775
where:
bonds (distance) C4'-P energy: -21.909
bonds (distance) P-C4' energy: -19.222
flat angles C4'-P-C4' energy: -22.301
flat angles P-C4'-P energy: -13.117
tors. eta vs tors. theta energy: -19.254
Dist. restrs. and SS energy: 1.429 (S_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: 379
Temperature: 1.200000
Total energy: -232.984357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.984357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.676811 (E_RNA)
where:
Base-Base interactions energy: -148.565
where: short stacking energy: -72.401
Base-Backbone interact. energy: -0.072
local terms energy: -87.039533
where:
bonds (distance) C4'-P energy: -21.013
bonds (distance) P-C4' energy: -12.031
flat angles C4'-P-C4' energy: -20.202
flat angles P-C4'-P energy: -13.362
tors. eta vs tors. theta energy: -20.431
Dist. restrs. and SS energy: 2.692 (S_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: -213.091979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.091979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.127628 (E_RNA)
where:
Base-Base interactions energy: -129.709
where: short stacking energy: -70.260
Base-Backbone interact. energy: -0.200
local terms energy: -83.218658
where:
bonds (distance) C4'-P energy: -17.028
bonds (distance) P-C4' energy: -16.906
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -15.063
tors. eta vs tors. theta energy: -19.430
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -208.365375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.365375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.635797 (E_RNA)
where:
Base-Base interactions energy: -119.130
where: short stacking energy: -60.536
Base-Backbone interact. energy: 0.414
local terms energy: -89.920321
where:
bonds (distance) C4'-P energy: -14.117
bonds (distance) P-C4' energy: -22.954
flat angles C4'-P-C4' energy: -24.333
flat angles P-C4'-P energy: -18.756
tors. eta vs tors. theta energy: -9.759
Dist. restrs. and SS energy: 0.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -202.560511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.560511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.574021 (E_RNA)
where:
Base-Base interactions energy: -119.086
where: short stacking energy: -57.672
Base-Backbone interact. energy: -0.212
local terms energy: -83.275315
where:
bonds (distance) C4'-P energy: -12.672
bonds (distance) P-C4' energy: -21.681
flat angles C4'-P-C4' energy: -20.143
flat angles P-C4'-P energy: -19.924
tors. eta vs tors. theta energy: -8.855
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -308.307976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.307976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.411846 (E_RNA)
where:
Base-Base interactions energy: -190.496
where: short stacking energy: -117.218
Base-Backbone interact. energy: 1.152
local terms energy: -119.067578
where:
bonds (distance) C4'-P energy: -19.028
bonds (distance) P-C4' energy: -21.882
flat angles C4'-P-C4' energy: -23.817
flat angles P-C4'-P energy: -18.670
tors. eta vs tors. theta energy: -35.671
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: 380
Temperature: 0.950000
Total energy: -295.623050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.623050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.721524 (E_RNA)
where:
Base-Base interactions energy: -184.173
where: short stacking energy: -110.590
Base-Backbone interact. energy: -0.004
local terms energy: -111.544734
where:
bonds (distance) C4'-P energy: -17.867
bonds (distance) P-C4' energy: -21.164
flat angles C4'-P-C4' energy: -24.512
flat angles P-C4'-P energy: -16.663
tors. eta vs tors. theta energy: -31.338
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: 6
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -261.442444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.442444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.464967 (E_RNA)
where:
Base-Base interactions energy: -166.552
where: short stacking energy: -96.826
Base-Backbone interact. energy: -0.331
local terms energy: -94.582690
where:
bonds (distance) C4'-P energy: -20.381
bonds (distance) P-C4' energy: -16.956
flat angles C4'-P-C4' energy: -20.340
flat angles P-C4'-P energy: -14.710
tors. eta vs tors. theta energy: -22.196
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: 10
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -233.901679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.901679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.906405 (E_RNA)
where:
Base-Base interactions energy: -144.673
where: short stacking energy: -75.433
Base-Backbone interact. energy: -0.476
local terms energy: -88.756881
where:
bonds (distance) C4'-P energy: -20.282
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -21.463
flat angles P-C4'-P energy: -13.862
tors. eta vs tors. theta energy: -14.938
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: 4
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -254.527401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.527401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.557966 (E_RNA)
where:
Base-Base interactions energy: -158.262
where: short stacking energy: -77.674
Base-Backbone interact. energy: -0.447
local terms energy: -96.849645
where:
bonds (distance) C4'-P energy: -19.653
bonds (distance) P-C4' energy: -20.239
flat angles C4'-P-C4' energy: -21.085
flat angles P-C4'-P energy: -15.198
tors. eta vs tors. theta energy: -20.675
Dist. restrs. and SS energy: 1.031 (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: 380
Temperature: 1.150000
Total energy: -251.678679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.678679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.757391 (E_RNA)
where:
Base-Base interactions energy: -150.251
where: short stacking energy: -74.680
Base-Backbone interact. energy: 1.155
local terms energy: -102.661401
where:
bonds (distance) C4'-P energy: -23.168
bonds (distance) P-C4' energy: -21.867
flat angles C4'-P-C4' energy: -24.440
flat angles P-C4'-P energy: -18.300
tors. eta vs tors. theta energy: -14.887
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: 380
Temperature: 1.200000
Total energy: -213.532761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.532761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.564166 (E_RNA)
where:
Base-Base interactions energy: -131.557
where: short stacking energy: -65.724
Base-Backbone interact. energy: -0.252
local terms energy: -81.754281
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -21.048
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -15.782
tors. eta vs tors. theta energy: -15.638
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -221.365473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.365473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.433410 (E_RNA)
where:
Base-Base interactions energy: -141.013
where: short stacking energy: -67.189
Base-Backbone interact. energy: -0.121
local terms energy: -80.299484
where:
bonds (distance) C4'-P energy: -18.672
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -18.087
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -14.287
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: 9
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -210.646833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.646833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.648401 (E_RNA)
where:
Base-Base interactions energy: -119.806
where: short stacking energy: -52.823
Base-Backbone interact. energy: -0.156
local terms energy: -90.687157
where:
bonds (distance) C4'-P energy: -19.409
bonds (distance) P-C4' energy: -22.342
flat angles C4'-P-C4' energy: -20.518
flat angles P-C4'-P energy: -17.009
tors. eta vs tors. theta energy: -11.409
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: 7
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -193.119726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.119726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.177074 (E_RNA)
where:
Base-Base interactions energy: -114.719
where: short stacking energy: -56.154
Base-Backbone interact. energy: -0.101
local terms energy: -78.356982
where:
bonds (distance) C4'-P energy: -15.985
bonds (distance) P-C4' energy: -26.979
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -9.671
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: 381
Temperature: 0.900000
Total energy: -295.592179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.592179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.666004 (E_RNA)
where:
Base-Base interactions energy: -181.511
where: short stacking energy: -99.271
Base-Backbone interact. energy: -0.006
local terms energy: -114.149110
where:
bonds (distance) C4'-P energy: -23.618
bonds (distance) P-C4' energy: -22.070
flat angles C4'-P-C4' energy: -22.344
flat angles P-C4'-P energy: -16.890
tors. eta vs tors. theta energy: -29.226
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: 2
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -282.662771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.662771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.902634 (E_RNA)
where:
Base-Base interactions energy: -176.972
where: short stacking energy: -98.671
Base-Backbone interact. energy: -0.119
local terms energy: -107.811523
where:
bonds (distance) C4'-P energy: -21.971
bonds (distance) P-C4' energy: -24.048
flat angles C4'-P-C4' energy: -20.880
flat angles P-C4'-P energy: -15.027
tors. eta vs tors. theta energy: -25.885
Dist. restrs. and SS energy: 2.240 (S_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: 381
Temperature: 1.000000
Total energy: -263.573068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.573068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.672824 (E_RNA)
where:
Base-Base interactions energy: -156.511
where: short stacking energy: -85.020
Base-Backbone interact. energy: -0.152
local terms energy: -107.009913
where:
bonds (distance) C4'-P energy: -18.683
bonds (distance) P-C4' energy: -22.749
flat angles C4'-P-C4' energy: -25.256
flat angles P-C4'-P energy: -16.662
tors. eta vs tors. theta energy: -23.661
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: 4
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -271.468448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.468448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.618490 (E_RNA)
where:
Base-Base interactions energy: -173.116
where: short stacking energy: -91.894
Base-Backbone interact. energy: -0.503
local terms energy: -98.999879
where:
bonds (distance) C4'-P energy: -13.235
bonds (distance) P-C4' energy: -22.402
flat angles C4'-P-C4' energy: -20.999
flat angles P-C4'-P energy: -16.456
tors. eta vs tors. theta energy: -25.909
Dist. restrs. and SS energy: 1.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -232.927410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.927410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.046747 (E_RNA)
where:
Base-Base interactions energy: -138.141
where: short stacking energy: -68.581
Base-Backbone interact. energy: 0.133
local terms energy: -97.039141
where:
bonds (distance) C4'-P energy: -22.411
bonds (distance) P-C4' energy: -21.681
flat angles C4'-P-C4' energy: -17.241
flat angles P-C4'-P energy: -15.832
tors. eta vs tors. theta energy: -19.874
Dist. restrs. and SS energy: 2.119 (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: 1
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -234.747128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.747128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.756250 (E_RNA)
where:
Base-Base interactions energy: -134.337
where: short stacking energy: -70.951
Base-Backbone interact. energy: -1.010
local terms energy: -99.408941
where:
bonds (distance) C4'-P energy: -18.148
bonds (distance) P-C4' energy: -19.421
flat angles C4'-P-C4' energy: -23.819
flat angles P-C4'-P energy: -20.297
tors. eta vs tors. theta energy: -17.725
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: 381
Temperature: 1.200000
Total energy: -244.555146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.555146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.590597 (E_RNA)
where:
Base-Base interactions energy: -147.372
where: short stacking energy: -81.063
Base-Backbone interact. energy: -0.715
local terms energy: -96.503422
where:
bonds (distance) C4'-P energy: -24.066
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -22.916
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: -19.525
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: 9
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -213.207832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.207832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.475946 (E_RNA)
where:
Base-Base interactions energy: -121.248
where: short stacking energy: -63.267
Base-Backbone interact. energy: -0.076
local terms energy: -92.151846
where:
bonds (distance) C4'-P energy: -23.896
bonds (distance) P-C4' energy: -23.663
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -13.966
tors. eta vs tors. theta energy: -13.703
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: 9, replica: 5
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -201.883155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.883155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.086375 (E_RNA)
where:
Base-Base interactions energy: -127.953
where: short stacking energy: -59.441
Base-Backbone interact. energy: 0.136
local terms energy: -74.268820
where:
bonds (distance) C4'-P energy: -17.918
bonds (distance) P-C4' energy: -13.978
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -14.573
tors. eta vs tors. theta energy: -11.769
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: 10, replica: 7
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -185.871190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.871190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.882822 (E_RNA)
where:
Base-Base interactions energy: -114.307
where: short stacking energy: -52.455
Base-Backbone interact. energy: -0.544
local terms energy: -71.032145
where:
bonds (distance) C4'-P energy: -14.808
bonds (distance) P-C4' energy: -19.889
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -14.151
tors. eta vs tors. theta energy: -6.681
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: 1, replica: 3
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -301.036760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.036760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.163036 (E_RNA)
where:
Base-Base interactions energy: -184.580
where: short stacking energy: -115.277
Base-Backbone interact. energy: -0.055
local terms energy: -116.527377
where:
bonds (distance) C4'-P energy: -19.499
bonds (distance) P-C4' energy: -25.641
flat angles C4'-P-C4' energy: -24.140
flat angles P-C4'-P energy: -18.578
tors. eta vs tors. theta energy: -28.669
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: 2, replica: 2
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -283.775173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.775173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.797932 (E_RNA)
where:
Base-Base interactions energy: -166.134
where: short stacking energy: -95.651
Base-Backbone interact. energy: 0.289
local terms energy: -117.952261
where:
bonds (distance) C4'-P energy: -18.073
bonds (distance) P-C4' energy: -24.654
flat angles C4'-P-C4' energy: -23.907
flat angles P-C4'-P energy: -17.891
tors. eta vs tors. theta energy: -33.426
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: 4
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -278.729011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.729011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.665990 (E_RNA)
where:
Base-Base interactions energy: -176.523
where: short stacking energy: -99.508
Base-Backbone interact. energy: -0.477
local terms energy: -102.665763
where:
bonds (distance) C4'-P energy: -19.421
bonds (distance) P-C4' energy: -15.975
flat angles C4'-P-C4' energy: -22.906
flat angles P-C4'-P energy: -15.107
tors. eta vs tors. theta energy: -29.257
Dist. restrs. and SS energy: 0.937 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -256.086730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.086730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.149098 (E_RNA)
where:
Base-Base interactions energy: -159.959
where: short stacking energy: -83.802
Base-Backbone interact. energy: -0.019
local terms energy: -96.171202
where:
bonds (distance) C4'-P energy: -19.770
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -17.378
tors. eta vs tors. theta energy: -22.253
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: 1
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -250.103172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.103172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.225428 (E_RNA)
where:
Base-Base interactions energy: -152.214
where: short stacking energy: -86.471
Base-Backbone interact. energy: -0.212
local terms energy: -97.799607
where:
bonds (distance) C4'-P energy: -16.904
bonds (distance) P-C4' energy: -23.004
flat angles C4'-P-C4' energy: -19.579
flat angles P-C4'-P energy: -17.037
tors. eta vs tors. theta energy: -21.275
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -216.204127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.204127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.691756 (E_RNA)
where:
Base-Base interactions energy: -142.588
where: short stacking energy: -62.392
Base-Backbone interact. energy: -0.313
local terms energy: -73.790920
where:
bonds (distance) C4'-P energy: -20.950
bonds (distance) P-C4' energy: -17.205
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -5.966
tors. eta vs tors. theta energy: -13.195
Dist. restrs. and SS energy: 0.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -239.606223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.606223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.606223 (E_RNA)
where:
Base-Base interactions energy: -146.858
where: short stacking energy: -78.531
Base-Backbone interact. energy: -0.254
local terms energy: -92.494024
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -19.720
flat angles C4'-P-C4' energy: -22.036
flat angles P-C4'-P energy: -18.297
tors. eta vs tors. theta energy: -15.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -240.181772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.181772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.813251 (E_RNA)
where:
Base-Base interactions energy: -140.876
where: short stacking energy: -72.256
Base-Backbone interact. energy: -0.010
local terms energy: -100.927648
where:
bonds (distance) C4'-P energy: -21.668
bonds (distance) P-C4' energy: -27.169
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -14.599
tors. eta vs tors. theta energy: -20.478
Dist. restrs. and SS energy: 1.631 (S_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: 382
Temperature: 1.300000
Total energy: -198.267405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.267405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.383837 (E_RNA)
where:
Base-Base interactions energy: -119.054
where: short stacking energy: -53.651
Base-Backbone interact. energy: -0.836
local terms energy: -78.494285
where:
bonds (distance) C4'-P energy: -15.699
bonds (distance) P-C4' energy: -20.878
flat angles C4'-P-C4' energy: -18.885
flat angles P-C4'-P energy: -15.992
tors. eta vs tors. theta energy: -7.040
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: 382
Temperature: 1.350000
Total energy: -195.858656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.858656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.487241 (E_RNA)
where:
Base-Base interactions energy: -125.622
where: short stacking energy: -59.355
Base-Backbone interact. energy: -0.106
local terms energy: -72.759263
where:
bonds (distance) C4'-P energy: -15.441
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -12.256
flat angles P-C4'-P energy: -14.018
tors. eta vs tors. theta energy: -15.789
Dist. restrs. and SS energy: 2.629 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -297.340372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.340372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.386007 (E_RNA)
where:
Base-Base interactions energy: -190.309
where: short stacking energy: -103.498
Base-Backbone interact. energy: -0.600
local terms energy: -106.476885
where:
bonds (distance) C4'-P energy: -22.001
bonds (distance) P-C4' energy: -20.997
flat angles C4'-P-C4' energy: -18.009
flat angles P-C4'-P energy: -16.464
tors. eta vs tors. theta energy: -29.007
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: 4
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -288.757836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.757836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.791508 (E_RNA)
where:
Base-Base interactions energy: -174.312
where: short stacking energy: -93.402
Base-Backbone interact. energy: -0.142
local terms energy: -115.336948
where:
bonds (distance) C4'-P energy: -23.715
bonds (distance) P-C4' energy: -25.008
flat angles C4'-P-C4' energy: -24.656
flat angles P-C4'-P energy: -13.219
tors. eta vs tors. theta energy: -28.740
Dist. restrs. and SS energy: 1.034 (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: 2
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -269.557024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.557024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.615277 (E_RNA)
where:
Base-Base interactions energy: -157.260
where: short stacking energy: -93.929
Base-Backbone interact. energy: -0.098
local terms energy: -112.257400
where:
bonds (distance) C4'-P energy: -22.534
bonds (distance) P-C4' energy: -22.486
flat angles C4'-P-C4' energy: -25.904
flat angles P-C4'-P energy: -16.083
tors. eta vs tors. theta energy: -25.250
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: 1
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -263.584128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.584128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.022997 (E_RNA)
where:
Base-Base interactions energy: -161.786
where: short stacking energy: -85.040
Base-Backbone interact. energy: -0.074
local terms energy: -102.162372
where:
bonds (distance) C4'-P energy: -19.619
bonds (distance) P-C4' energy: -18.459
flat angles C4'-P-C4' energy: -20.277
flat angles P-C4'-P energy: -14.675
tors. eta vs tors. theta energy: -29.132
Dist. restrs. and SS energy: 0.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -226.123686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.123686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.151083 (E_RNA)
where:
Base-Base interactions energy: -127.853
where: short stacking energy: -68.099
Base-Backbone interact. energy: -0.240
local terms energy: -98.057558
where:
bonds (distance) C4'-P energy: -17.497
bonds (distance) P-C4' energy: -24.843
flat angles C4'-P-C4' energy: -23.704
flat angles P-C4'-P energy: -17.990
tors. eta vs tors. theta energy: -14.024
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: 383
Temperature: 1.150000
Total energy: -230.528115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.528115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.573938 (E_RNA)
where:
Base-Base interactions energy: -137.682
where: short stacking energy: -68.086
Base-Backbone interact. energy: -0.133
local terms energy: -92.758805
where:
bonds (distance) C4'-P energy: -18.900
bonds (distance) P-C4' energy: -23.511
flat angles C4'-P-C4' energy: -20.860
flat angles P-C4'-P energy: -7.060
tors. eta vs tors. theta energy: -22.429
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: 10
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -225.458818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.458818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.538400 (E_RNA)
where:
Base-Base interactions energy: -133.247
where: short stacking energy: -64.335
Base-Backbone interact. energy: -0.441
local terms energy: -91.850331
where:
bonds (distance) C4'-P energy: -17.153
bonds (distance) P-C4' energy: -23.504
flat angles C4'-P-C4' energy: -23.891
flat angles P-C4'-P energy: -13.549
tors. eta vs tors. theta energy: -13.753
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: 383
Temperature: 1.250000
Total energy: -211.530453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.530453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.566304 (E_RNA)
where:
Base-Base interactions energy: -125.425
where: short stacking energy: -53.239
Base-Backbone interact. energy: -0.306
local terms energy: -85.834925
where:
bonds (distance) C4'-P energy: -24.621
bonds (distance) P-C4' energy: -20.263
flat angles C4'-P-C4' energy: -20.184
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -9.206
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -197.492998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.492998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.539856 (E_RNA)
where:
Base-Base interactions energy: -115.916
where: short stacking energy: -55.411
Base-Backbone interact. energy: -0.211
local terms energy: -81.412206
where:
bonds (distance) C4'-P energy: -20.005
bonds (distance) P-C4' energy: -20.773
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -13.678
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: 10, replica: 5
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -203.622550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.622550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.439034 (E_RNA)
where:
Base-Base interactions energy: -120.452
where: short stacking energy: -58.197
Base-Backbone interact. energy: -0.301
local terms energy: -83.685941
where:
bonds (distance) C4'-P energy: -17.450
bonds (distance) P-C4' energy: -20.606
flat angles C4'-P-C4' energy: -20.699
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -14.382
Dist. restrs. and SS energy: 0.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -283.719856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.719856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.796368 (E_RNA)
where:
Base-Base interactions energy: -178.768
where: short stacking energy: -97.838
Base-Backbone interact. energy: -0.079
local terms energy: -104.948782
where:
bonds (distance) C4'-P energy: -22.983
bonds (distance) P-C4' energy: -22.777
flat angles C4'-P-C4' energy: -21.084
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: -27.034
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: 4
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -285.749960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.749960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.965345 (E_RNA)
where:
Base-Base interactions energy: -174.291
where: short stacking energy: -100.291
Base-Backbone interact. energy: -3.512
local terms energy: -108.162541
where:
bonds (distance) C4'-P energy: -23.242
bonds (distance) P-C4' energy: -18.935
flat angles C4'-P-C4' energy: -21.339
flat angles P-C4'-P energy: -17.286
tors. eta vs tors. theta energy: -27.361
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: 3, replica: 2
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -273.091756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.091756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.180791 (E_RNA)
where:
Base-Base interactions energy: -170.314
where: short stacking energy: -96.445
Base-Backbone interact. energy: -0.012
local terms energy: -103.855200
where:
bonds (distance) C4'-P energy: -20.067
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -20.338
flat angles P-C4'-P energy: -16.825
tors. eta vs tors. theta energy: -30.130
Dist. restrs. and SS energy: 1.089 (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: 1
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -278.232439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.232439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.641688 (E_RNA)
where:
Base-Base interactions energy: -168.736
where: short stacking energy: -92.775
Base-Backbone interact. energy: -0.200
local terms energy: -109.705723
where:
bonds (distance) C4'-P energy: -22.335
bonds (distance) P-C4' energy: -23.895
flat angles C4'-P-C4' energy: -23.907
flat angles P-C4'-P energy: -16.050
tors. eta vs tors. theta energy: -23.519
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: 8
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -251.505329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.505329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.603955 (E_RNA)
where:
Base-Base interactions energy: -146.642
where: short stacking energy: -78.230
Base-Backbone interact. energy: -0.111
local terms energy: -104.851648
where:
bonds (distance) C4'-P energy: -24.284
bonds (distance) P-C4' energy: -21.307
flat angles C4'-P-C4' energy: -23.583
flat angles P-C4'-P energy: -12.158
tors. eta vs tors. theta energy: -23.519
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: 6
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -239.309554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.309554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.382176 (E_RNA)
where:
Base-Base interactions energy: -146.540
where: short stacking energy: -84.837
Base-Backbone interact. energy: -0.300
local terms energy: -92.541760
where:
bonds (distance) C4'-P energy: -21.570
bonds (distance) P-C4' energy: -17.428
flat angles C4'-P-C4' energy: -20.791
flat angles P-C4'-P energy: -14.386
tors. eta vs tors. theta energy: -18.367
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: 7
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -224.507852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.507852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.788628 (E_RNA)
where:
Base-Base interactions energy: -127.598
where: short stacking energy: -67.940
Base-Backbone interact. energy: -0.026
local terms energy: -97.165088
where:
bonds (distance) C4'-P energy: -20.742
bonds (distance) P-C4' energy: -25.882
flat angles C4'-P-C4' energy: -20.136
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -19.981
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: 10
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -225.482310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.482310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.562984 (E_RNA)
where:
Base-Base interactions energy: -133.812
where: short stacking energy: -65.307
Base-Backbone interact. energy: -0.455
local terms energy: -91.296266
where:
bonds (distance) C4'-P energy: -22.053
bonds (distance) P-C4' energy: -21.002
flat angles C4'-P-C4' energy: -22.807
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -13.709
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -215.382678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.382678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.689340 (E_RNA)
where:
Base-Base interactions energy: -138.489
where: short stacking energy: -55.120
Base-Backbone interact. energy: 2.656
local terms energy: -80.856393
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -23.325
flat angles C4'-P-C4' energy: -19.656
flat angles P-C4'-P energy: -12.428
tors. eta vs tors. theta energy: -11.521
Dist. restrs. and SS energy: 1.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -207.210214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.210214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.278424 (E_RNA)
where:
Base-Base interactions energy: -121.980
where: short stacking energy: -58.788
Base-Backbone interact. energy: -0.246
local terms energy: -85.052311
where:
bonds (distance) C4'-P energy: -20.685
bonds (distance) P-C4' energy: -21.623
flat angles C4'-P-C4' energy: -18.665
flat angles P-C4'-P energy: -14.492
tors. eta vs tors. theta energy: -9.587
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: 3
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -306.419214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.419214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.976297 (E_RNA)
where:
Base-Base interactions energy: -187.893
where: short stacking energy: -105.206
Base-Backbone interact. energy: 0.603
local terms energy: -119.685983
where:
bonds (distance) C4'-P energy: -23.477
bonds (distance) P-C4' energy: -24.318
flat angles C4'-P-C4' energy: -24.756
flat angles P-C4'-P energy: -15.206
tors. eta vs tors. theta energy: -31.929
Dist. restrs. and SS energy: 0.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -291.247721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.247721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.414550 (E_RNA)
where:
Base-Base interactions energy: -184.540
where: short stacking energy: -108.648
Base-Backbone interact. energy: -0.004
local terms energy: -106.870583
where:
bonds (distance) C4'-P energy: -15.110
bonds (distance) P-C4' energy: -24.871
flat angles C4'-P-C4' energy: -21.203
flat angles P-C4'-P energy: -17.019
tors. eta vs tors. theta energy: -28.667
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: 3, replica: 2
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -284.298960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.298960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.358561 (E_RNA)
where:
Base-Base interactions energy: -171.252
where: short stacking energy: -104.422
Base-Backbone interact. energy: -0.579
local terms energy: -112.528166
where:
bonds (distance) C4'-P energy: -22.554
bonds (distance) P-C4' energy: -24.843
flat angles C4'-P-C4' energy: -22.133
flat angles P-C4'-P energy: -14.816
tors. eta vs tors. theta energy: -28.183
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: 1
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -290.084884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.084884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.830564 (E_RNA)
where:
Base-Base interactions energy: -179.746
where: short stacking energy: -94.350
Base-Backbone interact. energy: 1.766
local terms energy: -112.850657
where:
bonds (distance) C4'-P energy: -22.145
bonds (distance) P-C4' energy: -20.512
flat angles C4'-P-C4' energy: -23.973
flat angles P-C4'-P energy: -17.222
tors. eta vs tors. theta energy: -28.999
Dist. restrs. and SS energy: 0.746 (S_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: 385
Temperature: 1.100000
Total energy: -252.257562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.257562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.312026 (E_RNA)
where:
Base-Base interactions energy: -149.288
where: short stacking energy: -87.239
Base-Backbone interact. energy: -0.087
local terms energy: -102.936597
where:
bonds (distance) C4'-P energy: -20.408
bonds (distance) P-C4' energy: -21.973
flat angles C4'-P-C4' energy: -23.230
flat angles P-C4'-P energy: -15.185
tors. eta vs tors. theta energy: -22.140
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -229.492002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.492002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.646356 (E_RNA)
where:
Base-Base interactions energy: -136.000
where: short stacking energy: -78.437
Base-Backbone interact. energy: -0.024
local terms energy: -93.622087
where:
bonds (distance) C4'-P energy: -19.716
bonds (distance) P-C4' energy: -19.345
flat angles C4'-P-C4' energy: -19.326
flat angles P-C4'-P energy: -14.160
tors. eta vs tors. theta energy: -21.076
Dist. restrs. and SS energy: 0.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -234.574746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.574746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.752590 (E_RNA)
where:
Base-Base interactions energy: -138.639
where: short stacking energy: -76.482
Base-Backbone interact. energy: -0.001
local terms energy: -96.112499
where:
bonds (distance) C4'-P energy: -20.987
bonds (distance) P-C4' energy: -19.105
flat angles C4'-P-C4' energy: -20.377
flat angles P-C4'-P energy: -14.462
tors. eta vs tors. theta energy: -21.182
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: 5
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -212.064616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.064616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.078646 (E_RNA)
where:
Base-Base interactions energy: -141.665
where: short stacking energy: -61.485
Base-Backbone interact. energy: 0.414
local terms energy: -70.828056
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -20.834
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -14.835
tors. eta vs tors. theta energy: -8.104
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: 10
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -213.304540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.304540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.304540 (E_RNA)
where:
Base-Base interactions energy: -128.259
where: short stacking energy: -65.640
Base-Backbone interact. energy: -0.139
local terms energy: -84.906009
where:
bonds (distance) C4'-P energy: -24.592
bonds (distance) P-C4' energy: -21.545
flat angles C4'-P-C4' energy: -16.741
flat angles P-C4'-P energy: -7.463
tors. eta vs tors. theta energy: -14.566
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -184.450361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.450361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.754647 (E_RNA)
where:
Base-Base interactions energy: -108.640
where: short stacking energy: -53.269
Base-Backbone interact. energy: -0.191
local terms energy: -75.923847
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -19.841
flat angles C4'-P-C4' energy: -20.356
flat angles P-C4'-P energy: -13.227
tors. eta vs tors. theta energy: -7.089
Dist. restrs. and SS energy: 0.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -288.240049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.240049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.636076 (E_RNA)
where:
Base-Base interactions energy: -176.548
where: short stacking energy: -101.989
Base-Backbone interact. energy: -0.055
local terms energy: -113.033132
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -24.696
flat angles C4'-P-C4' energy: -24.839
flat angles P-C4'-P energy: -20.274
tors. eta vs tors. theta energy: -25.995
Dist. restrs. and SS energy: 1.396 (S_DIST_RNA)
chem. 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: -284.528907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.528907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.559438 (E_RNA)
where:
Base-Base interactions energy: -175.376
where: short stacking energy: -106.918
Base-Backbone interact. energy: -0.062
local terms energy: -109.121354
where:
bonds (distance) C4'-P energy: -21.058
bonds (distance) P-C4' energy: -22.978
flat angles C4'-P-C4' energy: -21.341
flat angles P-C4'-P energy: -14.139
tors. eta vs tors. theta energy: -29.605
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: 386
Temperature: 1.000000
Total energy: -264.963913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.963913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.858283 (E_RNA)
where:
Base-Base interactions energy: -160.904
where: short stacking energy: -85.984
Base-Backbone interact. energy: -0.488
local terms energy: -105.466199
where:
bonds (distance) C4'-P energy: -20.646
bonds (distance) P-C4' energy: -21.204
flat angles C4'-P-C4' energy: -25.258
flat angles P-C4'-P energy: -15.565
tors. eta vs tors. theta energy: -22.794
Dist. restrs. and SS energy: 1.894 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -271.807958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.807958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.862174 (E_RNA)
where:
Base-Base interactions energy: -169.650
where: short stacking energy: -98.598
Base-Backbone interact. energy: -0.029
local terms energy: -102.183659
where:
bonds (distance) C4'-P energy: -22.625
bonds (distance) P-C4' energy: -21.331
flat angles C4'-P-C4' energy: -22.549
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: -28.000
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -249.240295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.240295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.412272 (E_RNA)
where:
Base-Base interactions energy: -147.791
where: short stacking energy: -79.354
Base-Backbone interact. energy: 0.568
local terms energy: -102.189372
where:
bonds (distance) C4'-P energy: -18.030
bonds (distance) P-C4' energy: -25.088
flat angles C4'-P-C4' energy: -25.454
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -20.354
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: 8
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -221.921941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.921941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.039710 (E_RNA)
where:
Base-Base interactions energy: -143.772
where: short stacking energy: -72.507
Base-Backbone interact. energy: -0.354
local terms energy: -77.913269
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -16.253
flat angles C4'-P-C4' energy: -21.697
flat angles P-C4'-P energy: -14.088
tors. eta vs tors. theta energy: -10.225
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: 6
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -225.381210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.381210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.077198 (E_RNA)
where:
Base-Base interactions energy: -131.648
where: short stacking energy: -67.842
Base-Backbone interact. energy: -0.030
local terms energy: -94.398430
where:
bonds (distance) C4'-P energy: -18.900
bonds (distance) P-C4' energy: -23.432
flat angles C4'-P-C4' energy: -24.704
flat angles P-C4'-P energy: -14.209
tors. eta vs tors. theta energy: -13.154
Dist. restrs. and SS energy: 0.696 (S_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: 386
Temperature: 1.250000
Total energy: -224.644385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.644385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.766518 (E_RNA)
where:
Base-Base interactions energy: -131.467
where: short stacking energy: -68.025
Base-Backbone interact. energy: -0.214
local terms energy: -93.085162
where:
bonds (distance) C4'-P energy: -23.134
bonds (distance) P-C4' energy: -21.755
flat angles C4'-P-C4' energy: -19.806
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -17.550
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -185.641287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.641287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.854508 (E_RNA)
where:
Base-Base interactions energy: -112.152
where: short stacking energy: -50.570
Base-Backbone interact. energy: -0.576
local terms energy: -73.126545
where:
bonds (distance) C4'-P energy: -17.984
bonds (distance) P-C4' energy: -19.295
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -7.291
tors. eta vs tors. theta energy: -14.060
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: 10, replica: 10
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -196.740798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.740798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.992033 (E_RNA)
where:
Base-Base interactions energy: -115.721
where: short stacking energy: -60.232
Base-Backbone interact. energy: 0.699
local terms energy: -81.970522
where:
bonds (distance) C4'-P energy: -11.961
bonds (distance) P-C4' energy: -24.111
flat angles C4'-P-C4' energy: -18.995
flat angles P-C4'-P energy: -15.331
tors. eta vs tors. theta energy: -11.573
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: 1, replica: 4
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -293.502606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.502606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.864968 (E_RNA)
where:
Base-Base interactions energy: -180.213
where: short stacking energy: -106.095
Base-Backbone interact. energy: -0.090
local terms energy: -114.562708
where:
bonds (distance) C4'-P energy: -21.925
bonds (distance) P-C4' energy: -25.746
flat angles C4'-P-C4' energy: -17.895
flat angles P-C4'-P energy: -16.695
tors. eta vs tors. theta energy: -32.302
Dist. restrs. and SS energy: 1.362 (S_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: 387
Temperature: 0.950000
Total energy: -295.403478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.403478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.488879 (E_RNA)
where:
Base-Base interactions energy: -178.097
where: short stacking energy: -103.804
Base-Backbone interact. energy: -0.175
local terms energy: -118.216462
where:
bonds (distance) C4'-P energy: -21.164
bonds (distance) P-C4' energy: -24.632
flat angles C4'-P-C4' energy: -23.479
flat angles P-C4'-P energy: -19.469
tors. eta vs tors. theta energy: -29.473
Dist. restrs. and SS energy: 1.085 (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: 3
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -277.754141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.754141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.778369 (E_RNA)
where:
Base-Base interactions energy: -167.601
where: short stacking energy: -93.689
Base-Backbone interact. energy: -0.636
local terms energy: -109.541618
where:
bonds (distance) C4'-P energy: -20.523
bonds (distance) P-C4' energy: -22.217
flat angles C4'-P-C4' energy: -21.782
flat angles P-C4'-P energy: -18.007
tors. eta vs tors. theta energy: -27.012
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -235.531821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.531821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.353791 (E_RNA)
where:
Base-Base interactions energy: -139.844
where: short stacking energy: -72.445
Base-Backbone interact. energy: -0.472
local terms energy: -96.037528
where:
bonds (distance) C4'-P energy: -15.322
bonds (distance) P-C4' energy: -21.310
flat angles C4'-P-C4' energy: -21.918
flat angles P-C4'-P energy: -20.329
tors. eta vs tors. theta energy: -17.159
Dist. restrs. and SS energy: 0.822 (S_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: 387
Temperature: 1.100000
Total energy: -253.591557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.591557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.031509 (E_RNA)
where:
Base-Base interactions energy: -149.357
where: short stacking energy: -80.671
Base-Backbone interact. energy: -0.054
local terms energy: -104.621008
where:
bonds (distance) C4'-P energy: -22.517
bonds (distance) P-C4' energy: -26.386
flat angles C4'-P-C4' energy: -18.263
flat angles P-C4'-P energy: -14.462
tors. eta vs tors. theta energy: -22.993
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: 6, replica: 6
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -239.436003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.436003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.452256 (E_RNA)
where:
Base-Base interactions energy: -152.009
where: short stacking energy: -89.251
Base-Backbone interact. energy: -0.034
local terms energy: -87.408898
where:
bonds (distance) C4'-P energy: -18.175
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -21.740
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: -21.379
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -240.581811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.581811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.789919 (E_RNA)
where:
Base-Base interactions energy: -151.696
where: short stacking energy: -80.889
Base-Backbone interact. energy: -0.212
local terms energy: -90.881954
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -18.699
flat angles C4'-P-C4' energy: -20.594
flat angles P-C4'-P energy: -15.466
tors. eta vs tors. theta energy: -20.137
Dist. restrs. and SS energy: 2.208 (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: 5
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -214.795810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.795810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.974014 (E_RNA)
where:
Base-Base interactions energy: -129.512
where: short stacking energy: -73.749
Base-Backbone interact. energy: -0.165
local terms energy: -85.296448
where:
bonds (distance) C4'-P energy: -13.878
bonds (distance) P-C4' energy: -19.875
flat angles C4'-P-C4' energy: -21.519
flat angles P-C4'-P energy: -16.139
tors. eta vs tors. theta energy: -13.886
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: 387
Temperature: 1.300000
Total energy: -191.446934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.446934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.706822 (E_RNA)
where:
Base-Base interactions energy: -105.262
where: short stacking energy: -51.178
Base-Backbone interact. energy: -0.151
local terms energy: -86.294265
where:
bonds (distance) C4'-P energy: -19.696
bonds (distance) P-C4' energy: -18.797
flat angles C4'-P-C4' energy: -23.376
flat angles P-C4'-P energy: -20.336
tors. eta vs tors. theta energy: -4.090
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: 10, replica: 10
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -207.879070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.879070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.050868 (E_RNA)
where:
Base-Base interactions energy: -124.601
where: short stacking energy: -67.567
Base-Backbone interact. energy: -0.081
local terms energy: -83.369153
where:
bonds (distance) C4'-P energy: -16.854
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -22.381
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -20.715
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: 1, replica: 1
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -296.530667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.530667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.399918 (E_RNA)
where:
Base-Base interactions energy: -185.348
where: short stacking energy: -113.691
Base-Backbone interact. energy: -0.117
local terms energy: -111.934586
where:
bonds (distance) C4'-P energy: -18.505
bonds (distance) P-C4' energy: -19.858
flat angles C4'-P-C4' energy: -23.319
flat angles P-C4'-P energy: -18.348
tors. eta vs tors. theta energy: -31.905
Dist. restrs. and SS energy: 0.869 (S_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: 388
Temperature: 0.950000
Total energy: -297.590815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.590815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.636302 (E_RNA)
where:
Base-Base interactions energy: -181.828
where: short stacking energy: -108.142
Base-Backbone interact. energy: -0.004
local terms energy: -115.804813
where:
bonds (distance) C4'-P energy: -20.517
bonds (distance) P-C4' energy: -22.644
flat angles C4'-P-C4' energy: -24.266
flat angles P-C4'-P energy: -18.285
tors. eta vs tors. theta energy: -30.094
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: 388
Temperature: 1.000000
Total energy: -290.328276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.328276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.366994 (E_RNA)
where:
Base-Base interactions energy: -178.762
where: short stacking energy: -113.743
Base-Backbone interact. energy: -0.034
local terms energy: -111.570639
where:
bonds (distance) C4'-P energy: -20.042
bonds (distance) P-C4' energy: -20.658
flat angles C4'-P-C4' energy: -25.669
flat angles P-C4'-P energy: -11.291
tors. eta vs tors. theta energy: -33.910
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: 388
Temperature: 1.050000
Total energy: -267.026529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.026529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.026529 (E_RNA)
where:
Base-Base interactions energy: -169.752
where: short stacking energy: -94.004
Base-Backbone interact. energy: -0.314
local terms energy: -96.960952
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -20.516
flat angles C4'-P-C4' energy: -22.860
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -23.925
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -253.226536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.226536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.798722 (E_RNA)
where:
Base-Base interactions energy: -158.075
where: short stacking energy: -82.003
Base-Backbone interact. energy: 0.051
local terms energy: -95.774723
where:
bonds (distance) C4'-P energy: -17.893
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -16.017
tors. eta vs tors. theta energy: -24.132
Dist. restrs. and SS energy: 0.572 (S_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: 388
Temperature: 1.150000
Total energy: -215.101612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.101612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.101612 (E_RNA)
where:
Base-Base interactions energy: -131.927
where: short stacking energy: -66.126
Base-Backbone interact. energy: -0.187
local terms energy: -82.986980
where:
bonds (distance) C4'-P energy: -16.362
bonds (distance) P-C4' energy: -21.382
flat angles C4'-P-C4' energy: -19.205
flat angles P-C4'-P energy: -16.074
tors. eta vs tors. theta energy: -9.964
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: 5
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -238.250200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.250200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.339986 (E_RNA)
where:
Base-Base interactions energy: -147.023
where: short stacking energy: -81.019
Base-Backbone interact. energy: -0.058
local terms energy: -91.259149
where:
bonds (distance) C4'-P energy: -18.945
bonds (distance) P-C4' energy: -20.309
flat angles C4'-P-C4' energy: -20.519
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -20.919
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: 8
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -224.861372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.861372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.940074 (E_RNA)
where:
Base-Base interactions energy: -141.505
where: short stacking energy: -81.366
Base-Backbone interact. energy: 0.716
local terms energy: -84.151858
where:
bonds (distance) C4'-P energy: -22.978
bonds (distance) P-C4' energy: -21.760
flat angles C4'-P-C4' energy: -18.016
flat angles P-C4'-P energy: -0.787
tors. eta vs tors. theta energy: -20.611
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: 388
Temperature: 1.300000
Total energy: -218.444637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.444637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.953047 (E_RNA)
where:
Base-Base interactions energy: -137.902
where: short stacking energy: -68.224
Base-Backbone interact. energy: -0.147
local terms energy: -80.904063
where:
bonds (distance) C4'-P energy: -20.079
bonds (distance) P-C4' energy: -22.601
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -13.932
Dist. restrs. and SS energy: 0.508 (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: 9
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -199.289204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.289204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.422586 (E_RNA)
where:
Base-Base interactions energy: -122.109
where: short stacking energy: -53.481
Base-Backbone interact. energy: -0.159
local terms energy: -77.155097
where:
bonds (distance) C4'-P energy: -23.894
bonds (distance) P-C4' energy: -12.689
flat angles C4'-P-C4' energy: -24.628
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -6.961
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: 1, replica: 1
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -281.476574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.476574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.476574 (E_RNA)
where:
Base-Base interactions energy: -170.956
where: short stacking energy: -105.450
Base-Backbone interact. energy: -0.624
local terms energy: -109.896699
where:
bonds (distance) C4'-P energy: -21.377
bonds (distance) P-C4' energy: -21.915
flat angles C4'-P-C4' energy: -22.267
flat angles P-C4'-P energy: -17.572
tors. eta vs tors. theta energy: -26.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -285.141394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.141394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.164056 (E_RNA)
where:
Base-Base interactions energy: -166.286
where: short stacking energy: -95.319
Base-Backbone interact. energy: -0.035
local terms energy: -118.843470
where:
bonds (distance) C4'-P energy: -20.072
bonds (distance) P-C4' energy: -27.016
flat angles C4'-P-C4' energy: -27.216
flat angles P-C4'-P energy: -14.471
tors. eta vs tors. theta energy: -30.068
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: 4
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -261.966138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.966138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.046739 (E_RNA)
where:
Base-Base interactions energy: -156.256
where: short stacking energy: -85.773
Base-Backbone interact. energy: -0.173
local terms energy: -105.618008
where:
bonds (distance) C4'-P energy: -23.150
bonds (distance) P-C4' energy: -23.554
flat angles C4'-P-C4' energy: -26.399
flat angles P-C4'-P energy: -14.307
tors. eta vs tors. theta energy: -18.208
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: 389
Temperature: 1.050000
Total energy: -262.909106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.909106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.929144 (E_RNA)
where:
Base-Base interactions energy: -167.222
where: short stacking energy: -85.420
Base-Backbone interact. energy: -0.193
local terms energy: -95.514230
where:
bonds (distance) C4'-P energy: -19.350
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -22.275
flat angles P-C4'-P energy: -13.188
tors. eta vs tors. theta energy: -23.883
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: 389
Temperature: 1.100000
Total energy: -257.135815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.135815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.147444 (E_RNA)
where:
Base-Base interactions energy: -152.257
where: short stacking energy: -87.111
Base-Backbone interact. energy: -0.042
local terms energy: -104.849049
where:
bonds (distance) C4'-P energy: -24.004
bonds (distance) P-C4' energy: -23.787
flat angles C4'-P-C4' energy: -20.745
flat angles P-C4'-P energy: -15.910
tors. eta vs tors. theta energy: -20.402
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: 5
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -244.343585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.343585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.802481 (E_RNA)
where:
Base-Base interactions energy: -138.924
where: short stacking energy: -65.728
Base-Backbone interact. energy: -0.854
local terms energy: -105.023847
where:
bonds (distance) C4'-P energy: -25.321
bonds (distance) P-C4' energy: -22.513
flat angles C4'-P-C4' energy: -18.243
flat angles P-C4'-P energy: -14.765
tors. eta vs tors. theta energy: -24.181
Dist. restrs. and SS energy: 0.459 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -229.561058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.561058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.638803 (E_RNA)
where:
Base-Base interactions energy: -139.144
where: short stacking energy: -68.045
Base-Backbone interact. energy: -0.087
local terms energy: -90.407876
where:
bonds (distance) C4'-P energy: -21.118
bonds (distance) P-C4' energy: -21.407
flat angles C4'-P-C4' energy: -18.969
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: -16.882
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: 10
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -227.486135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.486135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.536907 (E_RNA)
where:
Base-Base interactions energy: -137.432
where: short stacking energy: -72.433
Base-Backbone interact. energy: -0.169
local terms energy: -89.935467
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -21.452
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -22.047
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: 8
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -199.735885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.735885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.786457 (E_RNA)
where:
Base-Base interactions energy: -124.510
where: short stacking energy: -57.785
Base-Backbone interact. energy: -0.050
local terms energy: -75.227028
where:
bonds (distance) C4'-P energy: -8.303
bonds (distance) P-C4' energy: -18.871
flat angles C4'-P-C4' energy: -24.117
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -13.317
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: 9
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -190.615813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.615813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.029484 (E_RNA)
where:
Base-Base interactions energy: -115.181
where: short stacking energy: -57.328
Base-Backbone interact. energy: 0.576
local terms energy: -76.424072
where:
bonds (distance) C4'-P energy: -15.360
bonds (distance) P-C4' energy: -21.363
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -16.549
tors. eta vs tors. theta energy: -7.470
Dist. restrs. and SS energy: 0.414 (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: 390
Temperature: 0.900000
Total energy: -324.916187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.916187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.099103 (E_RNA)
where:
Base-Base interactions energy: -209.945
where: short stacking energy: -106.879
Base-Backbone interact. energy: -1.115
local terms energy: -114.038766
where:
bonds (distance) C4'-P energy: -17.148
bonds (distance) P-C4' energy: -20.470
flat angles C4'-P-C4' energy: -26.839
flat angles P-C4'-P energy: -18.772
tors. eta vs tors. theta energy: -30.810
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: 1
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -277.081998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.081998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.081998 (E_RNA)
where:
Base-Base interactions energy: -163.675
where: short stacking energy: -92.996
Base-Backbone interact. energy: -0.162
local terms energy: -113.244579
where:
bonds (distance) C4'-P energy: -21.232
bonds (distance) P-C4' energy: -23.020
flat angles C4'-P-C4' energy: -23.358
flat angles P-C4'-P energy: -20.456
tors. eta vs tors. theta energy: -25.178
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: 390
Temperature: 1.000000
Total energy: -289.883380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.883380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.066818 (E_RNA)
where:
Base-Base interactions energy: -178.541
where: short stacking energy: -102.920
Base-Backbone interact. energy: -0.009
local terms energy: -112.516854
where:
bonds (distance) C4'-P energy: -20.598
bonds (distance) P-C4' energy: -20.635
flat angles C4'-P-C4' energy: -21.038
flat angles P-C4'-P energy: -16.695
tors. eta vs tors. theta energy: -33.552
Dist. restrs. and SS energy: 1.183 (S_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: 390
Temperature: 1.050000
Total energy: -261.530838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.530838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.109417 (E_RNA)
where:
Base-Base interactions energy: -154.728
where: short stacking energy: -79.410
Base-Backbone interact. energy: -0.042
local terms energy: -108.338938
where:
bonds (distance) C4'-P energy: -24.393
bonds (distance) P-C4' energy: -24.432
flat angles C4'-P-C4' energy: -23.216
flat angles P-C4'-P energy: -16.683
tors. eta vs tors. theta energy: -19.615
Dist. restrs. and SS energy: 1.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -243.186814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.186814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.271579 (E_RNA)
where:
Base-Base interactions energy: -150.836
where: short stacking energy: -85.786
Base-Backbone interact. energy: -0.172
local terms energy: -92.263430
where:
bonds (distance) C4'-P energy: -19.062
bonds (distance) P-C4' energy: -23.705
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -14.139
tors. eta vs tors. theta energy: -21.195
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: 390
Temperature: 1.150000
Total energy: -236.565917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.565917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.061925 (E_RNA)
where:
Base-Base interactions energy: -144.518
where: short stacking energy: -72.258
Base-Backbone interact. energy: -0.238
local terms energy: -92.306142
where:
bonds (distance) C4'-P energy: -22.745
bonds (distance) P-C4' energy: -21.343
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -13.700
tors. eta vs tors. theta energy: -17.203
Dist. restrs. and SS energy: 0.496 (S_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: -230.940900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.940900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.349446 (E_RNA)
where:
Base-Base interactions energy: -145.457
where: short stacking energy: -76.958
Base-Backbone interact. energy: -0.145
local terms energy: -85.747157
where:
bonds (distance) C4'-P energy: -17.239
bonds (distance) P-C4' energy: -17.571
flat angles C4'-P-C4' energy: -21.366
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -20.458
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: 8, replica: 2
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -216.337382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.337382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.203266 (E_RNA)
where:
Base-Base interactions energy: -137.294
where: short stacking energy: -66.514
Base-Backbone interact. energy: -0.291
local terms energy: -80.618063
where:
bonds (distance) C4'-P energy: -19.907
bonds (distance) P-C4' energy: -20.511
flat angles C4'-P-C4' energy: -20.715
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -10.425
Dist. restrs. and SS energy: 1.866 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -212.972071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.972071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.126525 (E_RNA)
where:
Base-Base interactions energy: -128.687
where: short stacking energy: -59.728
Base-Backbone interact. energy: -0.318
local terms energy: -84.120871
where:
bonds (distance) C4'-P energy: -12.151
bonds (distance) P-C4' energy: -25.209
flat angles C4'-P-C4' energy: -17.962
flat angles P-C4'-P energy: -13.935
tors. eta vs tors. theta energy: -14.863
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: 10, replica: 9
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -182.817561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.817561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.996697 (E_RNA)
where:
Base-Base interactions energy: -113.310
where: short stacking energy: -54.340
Base-Backbone interact. energy: -0.234
local terms energy: -69.453310
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -19.241
flat angles C4'-P-C4' energy: -18.513
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -7.835
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: 1, replica: 3
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -322.888329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.888329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.908077 (E_RNA)
where:
Base-Base interactions energy: -207.094
where: short stacking energy: -104.359
Base-Backbone interact. energy: -0.319
local terms energy: -115.495232
where:
bonds (distance) C4'-P energy: -22.445
bonds (distance) P-C4' energy: -22.605
flat angles C4'-P-C4' energy: -23.376
flat angles P-C4'-P energy: -14.932
tors. eta vs tors. theta energy: -32.137
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -301.766463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.766463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.803767 (E_RNA)
where:
Base-Base interactions energy: -185.857
where: short stacking energy: -109.280
Base-Backbone interact. energy: -0.077
local terms energy: -115.870488
where:
bonds (distance) C4'-P energy: -17.408
bonds (distance) P-C4' energy: -24.766
flat angles C4'-P-C4' energy: -24.312
flat angles P-C4'-P energy: -16.801
tors. eta vs tors. theta energy: -32.583
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: 1
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -253.548053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.548053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.664964 (E_RNA)
where:
Base-Base interactions energy: -157.917
where: short stacking energy: -82.570
Base-Backbone interact. energy: 0.228
local terms energy: -95.976078
where:
bonds (distance) C4'-P energy: -21.780
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -26.529
flat angles P-C4'-P energy: -16.770
tors. eta vs tors. theta energy: -15.888
Dist. restrs. and SS energy: 0.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -239.602082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.602082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.618003 (E_RNA)
where:
Base-Base interactions energy: -144.143
where: short stacking energy: -77.217
Base-Backbone interact. energy: -0.048
local terms energy: -95.426349
where:
bonds (distance) C4'-P energy: -20.825
bonds (distance) P-C4' energy: -19.427
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -14.854
tors. eta vs tors. theta energy: -22.279
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: 4
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -267.436003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.436003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.758186 (E_RNA)
where:
Base-Base interactions energy: -159.603
where: short stacking energy: -85.914
Base-Backbone interact. energy: -0.739
local terms energy: -107.415831
where:
bonds (distance) C4'-P energy: -20.722
bonds (distance) P-C4' energy: -21.625
flat angles C4'-P-C4' energy: -20.262
flat angles P-C4'-P energy: -18.684
tors. eta vs tors. theta energy: -26.123
Dist. restrs. and SS energy: 0.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -238.439934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.439934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.993125 (E_RNA)
where:
Base-Base interactions energy: -147.099
where: short stacking energy: -82.519
Base-Backbone interact. energy: 1.939
local terms energy: -94.832432
where:
bonds (distance) C4'-P energy: -21.085
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -22.806
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: -19.906
Dist. restrs. and SS energy: 1.553 (S_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: 391
Temperature: 1.200000
Total energy: -214.907149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.907149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.315382 (E_RNA)
where:
Base-Base interactions energy: -137.013
where: short stacking energy: -72.072
Base-Backbone interact. energy: -0.066
local terms energy: -79.236584
where:
bonds (distance) C4'-P energy: -18.182
bonds (distance) P-C4' energy: -23.506
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -14.061
Dist. restrs. and SS energy: 1.408 (S_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: 391
Temperature: 1.250000
Total energy: -238.528920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.528920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.661634 (E_RNA)
where:
Base-Base interactions energy: -146.401
where: short stacking energy: -80.193
Base-Backbone interact. energy: -0.751
local terms energy: -91.509617
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -22.665
flat angles P-C4'-P energy: -18.474
tors. eta vs tors. theta energy: -17.875
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: 8
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -209.831853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.831853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.836261 (E_RNA)
where:
Base-Base interactions energy: -120.717
where: short stacking energy: -58.977
Base-Backbone interact. energy: 0.731
local terms energy: -89.850611
where:
bonds (distance) C4'-P energy: -18.284
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -18.499
flat angles P-C4'-P energy: -16.555
tors. eta vs tors. theta energy: -20.621
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: 9
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -198.969186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.969186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.235904 (E_RNA)
where:
Base-Base interactions energy: -105.035
where: short stacking energy: -45.068
Base-Backbone interact. energy: -0.112
local terms energy: -94.088401
where:
bonds (distance) C4'-P energy: -19.470
bonds (distance) P-C4' energy: -24.554
flat angles C4'-P-C4' energy: -21.484
flat angles P-C4'-P energy: -18.858
tors. eta vs tors. theta energy: -9.722
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: 1, replica: 3
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -308.693222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.693222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.697331 (E_RNA)
where:
Base-Base interactions energy: -199.379
where: short stacking energy: -111.388
Base-Backbone interact. energy: -0.647
local terms energy: -108.671295
where:
bonds (distance) C4'-P energy: -18.209
bonds (distance) P-C4' energy: -23.385
flat angles C4'-P-C4' energy: -21.045
flat angles P-C4'-P energy: -17.903
tors. eta vs tors. theta energy: -28.130
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -288.563095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.563095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.670335 (E_RNA)
where:
Base-Base interactions energy: -178.528
where: short stacking energy: -92.370
Base-Backbone interact. energy: -0.042
local terms energy: -111.100537
where:
bonds (distance) C4'-P energy: -23.425
bonds (distance) P-C4' energy: -20.969
flat angles C4'-P-C4' energy: -19.036
flat angles P-C4'-P energy: -17.576
tors. eta vs tors. theta energy: -30.094
Dist. restrs. and SS energy: 1.107 (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: 6
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -257.937351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.937351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.937351 (E_RNA)
where:
Base-Base interactions energy: -157.276
where: short stacking energy: -87.018
Base-Backbone interact. energy: -0.125
local terms energy: -100.536329
where:
bonds (distance) C4'-P energy: -22.745
bonds (distance) P-C4' energy: -25.157
flat angles C4'-P-C4' energy: -21.511
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -20.141
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -261.826686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.826686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.003019 (E_RNA)
where:
Base-Base interactions energy: -155.201
where: short stacking energy: -95.454
Base-Backbone interact. energy: -0.687
local terms energy: -106.115148
where:
bonds (distance) C4'-P energy: -16.982
bonds (distance) P-C4' energy: -23.028
flat angles C4'-P-C4' energy: -22.343
flat angles P-C4'-P energy: -17.889
tors. eta vs tors. theta energy: -25.873
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -245.079444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.079444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.126377 (E_RNA)
where:
Base-Base interactions energy: -147.412
where: short stacking energy: -81.785
Base-Backbone interact. energy: 0.691
local terms energy: -98.405700
where:
bonds (distance) C4'-P energy: -19.275
bonds (distance) P-C4' energy: -22.782
flat angles C4'-P-C4' energy: -22.504
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -23.093
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: 392
Temperature: 1.150000
Total energy: -236.638530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.638530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.863207 (E_RNA)
where:
Base-Base interactions energy: -150.049
where: short stacking energy: -75.306
Base-Backbone interact. energy: -0.089
local terms energy: -86.725122
where:
bonds (distance) C4'-P energy: -23.701
bonds (distance) P-C4' energy: -18.252
flat angles C4'-P-C4' energy: -21.992
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -13.789
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: 7, replica: 10
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -216.501825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.501825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.648071 (E_RNA)
where:
Base-Base interactions energy: -127.344
where: short stacking energy: -59.239
Base-Backbone interact. energy: -0.413
local terms energy: -88.890754
where:
bonds (distance) C4'-P energy: -19.479
bonds (distance) P-C4' energy: -20.604
flat angles C4'-P-C4' energy: -22.245
flat angles P-C4'-P energy: -18.319
tors. eta vs tors. theta energy: -8.244
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -222.694330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.694330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.752327 (E_RNA)
where:
Base-Base interactions energy: -135.816
where: short stacking energy: -64.933
Base-Backbone interact. energy: -0.010
local terms energy: -86.926959
where:
bonds (distance) C4'-P energy: -18.547
bonds (distance) P-C4' energy: -21.426
flat angles C4'-P-C4' energy: -22.537
flat angles P-C4'-P energy: -7.411
tors. eta vs tors. theta energy: -17.007
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: 9
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -215.617819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.617819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.682584 (E_RNA)
where:
Base-Base interactions energy: -132.102
where: short stacking energy: -67.553
Base-Backbone interact. energy: -0.266
local terms energy: -83.314640
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -18.894
flat angles C4'-P-C4' energy: -22.185
flat angles P-C4'-P energy: -12.692
tors. eta vs tors. theta energy: -11.877
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: 392
Temperature: 1.350000
Total energy: -189.264411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.264411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.407635 (E_RNA)
where:
Base-Base interactions energy: -111.312
where: short stacking energy: -50.881
Base-Backbone interact. energy: 0.220
local terms energy: -78.315798
where:
bonds (distance) C4'-P energy: -20.858
bonds (distance) P-C4' energy: -22.756
flat angles C4'-P-C4' energy: -17.185
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: -5.772
Dist. restrs. and SS energy: 0.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -307.699306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.699306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.697561 (E_RNA)
where:
Base-Base interactions energy: -200.735
where: short stacking energy: -103.248
Base-Backbone interact. energy: -0.879
local terms energy: -107.083473
where:
bonds (distance) C4'-P energy: -20.102
bonds (distance) P-C4' energy: -19.044
flat angles C4'-P-C4' energy: -23.727
flat angles P-C4'-P energy: -15.171
tors. eta vs tors. theta energy: -29.039
Dist. restrs. and SS energy: 0.998 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -291.267489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.267489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.974113 (E_RNA)
where:
Base-Base interactions energy: -181.386
where: short stacking energy: -89.240
Base-Backbone interact. energy: -0.133
local terms energy: -110.455399
where:
bonds (distance) C4'-P energy: -23.336
bonds (distance) P-C4' energy: -22.262
flat angles C4'-P-C4' energy: -21.626
flat angles P-C4'-P energy: -16.320
tors. eta vs tors. theta energy: -26.910
Dist. restrs. and SS energy: 0.707 (S_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: 393
Temperature: 1.000000
Total energy: -282.773840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.773840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.923581 (E_RNA)
where:
Base-Base interactions energy: -168.734
where: short stacking energy: -84.715
Base-Backbone interact. energy: -0.307
local terms energy: -113.882284
where:
bonds (distance) C4'-P energy: -23.230
bonds (distance) P-C4' energy: -23.992
flat angles C4'-P-C4' energy: -23.231
flat angles P-C4'-P energy: -17.021
tors. eta vs tors. theta energy: -26.408
Dist. restrs. and SS energy: 0.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -261.803224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.803224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.880514 (E_RNA)
where:
Base-Base interactions energy: -153.683
where: short stacking energy: -85.063
Base-Backbone interact. energy: -0.764
local terms energy: -107.433977
where:
bonds (distance) C4'-P energy: -24.812
bonds (distance) P-C4' energy: -19.754
flat angles C4'-P-C4' energy: -22.005
flat angles P-C4'-P energy: -15.629
tors. eta vs tors. theta energy: -25.234
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: 4
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -248.343962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.343962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.366122 (E_RNA)
where:
Base-Base interactions energy: -152.604
where: short stacking energy: -86.515
Base-Backbone interact. energy: 0.314
local terms energy: -96.076199
where:
bonds (distance) C4'-P energy: -23.424
bonds (distance) P-C4' energy: -17.638
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -15.945
tors. eta vs tors. theta energy: -21.602
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: 393
Temperature: 1.150000
Total energy: -213.043008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.043008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.239841 (E_RNA)
where:
Base-Base interactions energy: -126.173
where: short stacking energy: -61.539
Base-Backbone interact. energy: -0.381
local terms energy: -86.685665
where:
bonds (distance) C4'-P energy: -23.051
bonds (distance) P-C4' energy: -24.408
flat angles C4'-P-C4' energy: -19.033
flat angles P-C4'-P energy: -14.851
tors. eta vs tors. theta energy: -5.343
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: 5
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -225.503965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.503965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.320340 (E_RNA)
where:
Base-Base interactions energy: -137.089
where: short stacking energy: -72.866
Base-Backbone interact. energy: -0.058
local terms energy: -89.173155
where:
bonds (distance) C4'-P energy: -19.176
bonds (distance) P-C4' energy: -22.189
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -15.347
tors. eta vs tors. theta energy: -15.965
Dist. restrs. and SS energy: 0.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -209.612924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.612924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.701102 (E_RNA)
where:
Base-Base interactions energy: -129.327
where: short stacking energy: -69.166
Base-Backbone interact. energy: -0.650
local terms energy: -79.724222
where:
bonds (distance) C4'-P energy: -19.474
bonds (distance) P-C4' energy: -17.805
flat angles C4'-P-C4' energy: -19.936
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -10.105
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: 9, replica: 2
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -212.078564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.078564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.230707 (E_RNA)
where:
Base-Base interactions energy: -130.435
where: short stacking energy: -56.653
Base-Backbone interact. energy: -0.087
local terms energy: -83.708872
where:
bonds (distance) C4'-P energy: -16.602
bonds (distance) P-C4' energy: -17.346
flat angles C4'-P-C4' energy: -22.099
flat angles P-C4'-P energy: -18.714
tors. eta vs tors. theta energy: -8.947
Dist. restrs. and SS energy: 2.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -206.721435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.721435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.867345 (E_RNA)
where:
Base-Base interactions energy: -129.096
where: short stacking energy: -61.288
Base-Backbone interact. energy: -0.139
local terms energy: -77.632254
where:
bonds (distance) C4'-P energy: -17.765
bonds (distance) P-C4' energy: -21.417
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -14.488
tors. eta vs tors. theta energy: -9.536
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: 7
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -290.896735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.896735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.305062 (E_RNA)
where:
Base-Base interactions energy: -193.390
where: short stacking energy: -83.868
Base-Backbone interact. energy: -0.165
local terms energy: -98.750142
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -25.449
flat angles C4'-P-C4' energy: -20.636
flat angles P-C4'-P energy: -14.792
tors. eta vs tors. theta energy: -21.681
Dist. restrs. and SS energy: 1.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -326.149080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.149080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.952488 (E_RNA)
where:
Base-Base interactions energy: -213.091
where: short stacking energy: -112.955
Base-Backbone interact. energy: -0.373
local terms energy: -114.488106
where:
bonds (distance) C4'-P energy: -22.082
bonds (distance) P-C4' energy: -23.694
flat angles C4'-P-C4' energy: -21.274
flat angles P-C4'-P energy: -17.196
tors. eta vs tors. theta energy: -30.242
Dist. restrs. and SS energy: 1.803 (S_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: 394
Temperature: 1.000000
Total energy: -278.030080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.030080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.055592 (E_RNA)
where:
Base-Base interactions energy: -171.847
where: short stacking energy: -95.949
Base-Backbone interact. energy: 0.773
local terms energy: -106.981629
where:
bonds (distance) C4'-P energy: -19.209
bonds (distance) P-C4' energy: -23.936
flat angles C4'-P-C4' energy: -21.521
flat angles P-C4'-P energy: -17.093
tors. eta vs tors. theta energy: -25.222
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: 1
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -286.137168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.137168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.190805 (E_RNA)
where:
Base-Base interactions energy: -183.120
where: short stacking energy: -113.157
Base-Backbone interact. energy: 0.021
local terms energy: -103.091754
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -21.800
flat angles C4'-P-C4' energy: -22.643
flat angles P-C4'-P energy: -13.339
tors. eta vs tors. theta energy: -32.297
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -230.295244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.295244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.391207 (E_RNA)
where:
Base-Base interactions energy: -131.746
where: short stacking energy: -67.905
Base-Backbone interact. energy: -0.200
local terms energy: -98.445364
where:
bonds (distance) C4'-P energy: -22.344
bonds (distance) P-C4' energy: -25.107
flat angles C4'-P-C4' energy: -22.318
flat angles P-C4'-P energy: -14.113
tors. eta vs tors. theta energy: -14.564
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: 4
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -245.463923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.463923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.318879 (E_RNA)
where:
Base-Base interactions energy: -141.124
where: short stacking energy: -70.234
Base-Backbone interact. energy: -0.327
local terms energy: -104.867572
where:
bonds (distance) C4'-P energy: -23.639
bonds (distance) P-C4' energy: -22.005
flat angles C4'-P-C4' energy: -24.458
flat angles P-C4'-P energy: -16.361
tors. eta vs tors. theta energy: -18.403
Dist. restrs. and SS energy: 0.855 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -220.048838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.048838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.166617 (E_RNA)
where:
Base-Base interactions energy: -139.217
where: short stacking energy: -73.988
Base-Backbone interact. energy: -0.184
local terms energy: -80.765614
where:
bonds (distance) C4'-P energy: -14.854
bonds (distance) P-C4' energy: -22.616
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -15.022
tors. eta vs tors. theta energy: -14.897
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: 5
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -203.791890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.791890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.815704 (E_RNA)
where:
Base-Base interactions energy: -114.624
where: short stacking energy: -55.755
Base-Backbone interact. energy: -0.332
local terms energy: -88.859879
where:
bonds (distance) C4'-P energy: -22.191
bonds (distance) P-C4' energy: -24.003
flat angles C4'-P-C4' energy: -21.477
flat angles P-C4'-P energy: -13.513
tors. eta vs tors. theta energy: -7.675
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: 394
Temperature: 1.300000
Total energy: -203.898164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.898164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.013021 (E_RNA)
where:
Base-Base interactions energy: -114.796
where: short stacking energy: -58.278
Base-Backbone interact. energy: 0.374
local terms energy: -89.591243
where:
bonds (distance) C4'-P energy: -19.015
bonds (distance) P-C4' energy: -19.099
flat angles C4'-P-C4' energy: -19.740
flat angles P-C4'-P energy: -15.310
tors. eta vs tors. theta energy: -16.427
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: 2
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -212.612255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.612255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.732068 (E_RNA)
where:
Base-Base interactions energy: -126.945
where: short stacking energy: -69.341
Base-Backbone interact. energy: -0.197
local terms energy: -85.589866
where:
bonds (distance) C4'-P energy: -15.360
bonds (distance) P-C4' energy: -17.128
flat angles C4'-P-C4' energy: -22.616
flat angles P-C4'-P energy: -14.272
tors. eta vs tors. theta energy: -16.214
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: 1, replica: 7
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -303.413938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.413938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.413938 (E_RNA)
where:
Base-Base interactions energy: -185.655
where: short stacking energy: -113.489
Base-Backbone interact. energy: -0.035
local terms energy: -117.724261
where:
bonds (distance) C4'-P energy: -22.306
bonds (distance) P-C4' energy: -24.869
flat angles C4'-P-C4' energy: -23.515
flat angles P-C4'-P energy: -15.086
tors. eta vs tors. theta energy: -31.948
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -315.673665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.673665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.719037 (E_RNA)
where:
Base-Base interactions energy: -199.034
where: short stacking energy: -100.270
Base-Backbone interact. energy: -0.005
local terms energy: -116.680190
where:
bonds (distance) C4'-P energy: -21.279
bonds (distance) P-C4' energy: -20.879
flat angles C4'-P-C4' energy: -24.464
flat angles P-C4'-P energy: -19.755
tors. eta vs tors. theta energy: -30.304
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: 395
Temperature: 1.000000
Total energy: -265.852870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.852870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.904220 (E_RNA)
where:
Base-Base interactions energy: -159.304
where: short stacking energy: -88.740
Base-Backbone interact. energy: -0.002
local terms energy: -106.598239
where:
bonds (distance) C4'-P energy: -22.947
bonds (distance) P-C4' energy: -22.413
flat angles C4'-P-C4' energy: -25.071
flat angles P-C4'-P energy: -15.021
tors. eta vs tors. theta energy: -21.146
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -264.235027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.235027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.241417 (E_RNA)
where:
Base-Base interactions energy: -162.208
where: short stacking energy: -95.607
Base-Backbone interact. energy: -0.611
local terms energy: -101.422713
where:
bonds (distance) C4'-P energy: -17.409
bonds (distance) P-C4' energy: -16.687
flat angles C4'-P-C4' energy: -25.000
flat angles P-C4'-P energy: -14.387
tors. eta vs tors. theta energy: -27.940
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: 395
Temperature: 1.100000
Total energy: -269.040101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.040101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.130775 (E_RNA)
where:
Base-Base interactions energy: -164.646
where: short stacking energy: -96.968
Base-Backbone interact. energy: -0.051
local terms energy: -104.433479
where:
bonds (distance) C4'-P energy: -17.207
bonds (distance) P-C4' energy: -22.792
flat angles C4'-P-C4' energy: -25.369
flat angles P-C4'-P energy: -13.457
tors. eta vs tors. theta energy: -25.607
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: 4
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -225.385597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.385597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.090148 (E_RNA)
where:
Base-Base interactions energy: -143.599
where: short stacking energy: -68.034
Base-Backbone interact. energy: -0.223
local terms energy: -82.268186
where:
bonds (distance) C4'-P energy: -21.044
bonds (distance) P-C4' energy: -21.771
flat angles C4'-P-C4' energy: -19.944
flat angles P-C4'-P energy: 0.534
tors. eta vs tors. theta energy: -20.044
Dist. restrs. and SS energy: 0.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -220.723623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.723623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.776467 (E_RNA)
where:
Base-Base interactions energy: -131.611
where: short stacking energy: -69.516
Base-Backbone interact. energy: -0.450
local terms energy: -88.715175
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -23.926
flat angles C4'-P-C4' energy: -19.328
flat angles P-C4'-P energy: -12.330
tors. eta vs tors. theta energy: -17.803
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: 8
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -223.870320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.870320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.000073 (E_RNA)
where:
Base-Base interactions energy: -136.926
where: short stacking energy: -69.812
Base-Backbone interact. energy: -0.170
local terms energy: -86.904104
where:
bonds (distance) C4'-P energy: -20.455
bonds (distance) P-C4' energy: -21.984
flat angles C4'-P-C4' energy: -17.898
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -15.635
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: 9, replica: 5
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -209.511107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.511107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.595682 (E_RNA)
where:
Base-Base interactions energy: -128.333
where: short stacking energy: -63.079
Base-Backbone interact. energy: 0.858
local terms energy: -82.120227
where:
bonds (distance) C4'-P energy: -21.508
bonds (distance) P-C4' energy: -17.575
flat angles C4'-P-C4' energy: -17.782
flat angles P-C4'-P energy: -16.219
tors. eta vs tors. theta energy: -9.036
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: 395
Temperature: 1.350000
Total energy: -222.544054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.544054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.544054 (E_RNA)
where:
Base-Base interactions energy: -137.466
where: short stacking energy: -61.415
Base-Backbone interact. energy: -0.317
local terms energy: -84.760280
where:
bonds (distance) C4'-P energy: -21.121
bonds (distance) P-C4' energy: -19.157
flat angles C4'-P-C4' energy: -20.566
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -13.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -322.027088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.027088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.835753 (E_RNA)
where:
Base-Base interactions energy: -207.251
where: short stacking energy: -109.098
Base-Backbone interact. energy: -0.672
local terms energy: -115.913402
where:
bonds (distance) C4'-P energy: -25.139
bonds (distance) P-C4' energy: -19.137
flat angles C4'-P-C4' energy: -25.167
flat angles P-C4'-P energy: -14.888
tors. eta vs tors. theta energy: -31.581
Dist. restrs. and SS energy: 1.809 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -287.238591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.238591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.376077 (E_RNA)
where:
Base-Base interactions energy: -172.689
where: short stacking energy: -101.608
Base-Backbone interact. energy: -0.174
local terms energy: -114.513580
where:
bonds (distance) C4'-P energy: -24.608
bonds (distance) P-C4' energy: -22.470
flat angles C4'-P-C4' energy: -23.737
flat angles P-C4'-P energy: -16.864
tors. eta vs tors. theta energy: -26.834
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -278.455962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.455962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.575189 (E_RNA)
where:
Base-Base interactions energy: -168.295
where: short stacking energy: -95.576
Base-Backbone interact. energy: 1.667
local terms energy: -113.946798
where:
bonds (distance) C4'-P energy: -20.766
bonds (distance) P-C4' energy: -26.830
flat angles C4'-P-C4' energy: -24.321
flat angles P-C4'-P energy: -12.772
tors. eta vs tors. theta energy: -29.258
Dist. restrs. and SS energy: 2.119 (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: 6
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -258.010286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.010286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.016687 (E_RNA)
where:
Base-Base interactions energy: -161.760
where: short stacking energy: -88.770
Base-Backbone interact. energy: -0.012
local terms energy: -96.244899
where:
bonds (distance) C4'-P energy: -22.895
bonds (distance) P-C4' energy: -24.006
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -14.157
tors. eta vs tors. theta energy: -20.213
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: 396
Temperature: 1.100000
Total energy: -253.815166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.815166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.815655 (E_RNA)
where:
Base-Base interactions energy: -160.819
where: short stacking energy: -78.743
Base-Backbone interact. energy: -0.205
local terms energy: -93.792483
where:
bonds (distance) C4'-P energy: -17.248
bonds (distance) P-C4' energy: -23.122
flat angles C4'-P-C4' energy: -23.323
flat angles P-C4'-P energy: -11.977
tors. eta vs tors. theta energy: -18.122
Dist. restrs. and SS energy: 1.000 (S_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: 396
Temperature: 1.150000
Total energy: -235.608583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.608583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.892637 (E_RNA)
where:
Base-Base interactions energy: -147.426
where: short stacking energy: -73.090
Base-Backbone interact. energy: -0.133
local terms energy: -89.333976
where:
bonds (distance) C4'-P energy: -14.158
bonds (distance) P-C4' energy: -25.043
flat angles C4'-P-C4' energy: -15.529
flat angles P-C4'-P energy: -17.699
tors. eta vs tors. theta energy: -16.905
Dist. restrs. and SS energy: 1.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -218.259270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.259270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.503399 (E_RNA)
where:
Base-Base interactions energy: -129.779
where: short stacking energy: -69.199
Base-Backbone interact. energy: -0.060
local terms energy: -88.663864
where:
bonds (distance) C4'-P energy: -22.447
bonds (distance) P-C4' energy: -20.784
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -18.201
tors. eta vs tors. theta energy: -11.114
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: 8, replica: 9
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -206.149991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.149991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.249059 (E_RNA)
where:
Base-Base interactions energy: -117.578
where: short stacking energy: -64.468
Base-Backbone interact. energy: -0.656
local terms energy: -88.014890
where:
bonds (distance) C4'-P energy: -17.603
bonds (distance) P-C4' energy: -20.628
flat angles C4'-P-C4' energy: -25.755
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -14.447
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: 2
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -205.590011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.590011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.301499 (E_RNA)
where:
Base-Base interactions energy: -120.592
where: short stacking energy: -63.082
Base-Backbone interact. energy: -0.070
local terms energy: -85.638727
where:
bonds (distance) C4'-P energy: -12.653
bonds (distance) P-C4' energy: -25.548
flat angles C4'-P-C4' energy: -20.128
flat angles P-C4'-P energy: -14.142
tors. eta vs tors. theta energy: -13.169
Dist. restrs. and SS energy: 0.711 (S_DIST_RNA)
chem. 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: -194.286523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.286523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.573804 (E_RNA)
where:
Base-Base interactions energy: -120.928
where: short stacking energy: -55.334
Base-Backbone interact. energy: -0.284
local terms energy: -74.362105
where:
bonds (distance) C4'-P energy: -20.298
bonds (distance) P-C4' energy: -22.807
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -3.971
tors. eta vs tors. theta energy: -11.918
Dist. restrs. and SS energy: 1.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -338.714174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.714174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.054396 (E_RNA)
where:
Base-Base interactions energy: -215.863
where: short stacking energy: -109.785
Base-Backbone interact. energy: -1.242
local terms energy: -121.948815
where:
bonds (distance) C4'-P energy: -23.698
bonds (distance) P-C4' energy: -26.247
flat angles C4'-P-C4' energy: -21.814
flat angles P-C4'-P energy: -14.998
tors. eta vs tors. theta energy: -35.191
Dist. restrs. and SS energy: 0.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -293.500161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.500161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.464767 (E_RNA)
where:
Base-Base interactions energy: -185.336
where: short stacking energy: -104.512
Base-Backbone interact. energy: -0.076
local terms energy: -110.053142
where:
bonds (distance) C4'-P energy: -20.368
bonds (distance) P-C4' energy: -20.240
flat angles C4'-P-C4' energy: -23.488
flat angles P-C4'-P energy: -14.572
tors. eta vs tors. theta energy: -31.385
Dist. restrs. and SS energy: 1.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -281.485427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.485427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.500761 (E_RNA)
where:
Base-Base interactions energy: -173.982
where: short stacking energy: -101.649
Base-Backbone interact. energy: -0.091
local terms energy: -107.427288
where:
bonds (distance) C4'-P energy: -21.989
bonds (distance) P-C4' energy: -18.292
flat angles C4'-P-C4' energy: -21.621
flat angles P-C4'-P energy: -16.281
tors. eta vs tors. theta energy: -29.245
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: 4, replica: 6
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -275.901319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.901319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.932570 (E_RNA)
where:
Base-Base interactions energy: -168.911
where: short stacking energy: -97.051
Base-Backbone interact. energy: -0.014
local terms energy: -107.007797
where:
bonds (distance) C4'-P energy: -14.511
bonds (distance) P-C4' energy: -21.510
flat angles C4'-P-C4' energy: -22.636
flat angles P-C4'-P energy: -19.251
tors. eta vs tors. theta energy: -29.100
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: 5, replica: 10
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -259.623711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.623711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.410482 (E_RNA)
where:
Base-Base interactions energy: -171.865
where: short stacking energy: -88.223
Base-Backbone interact. energy: -0.207
local terms energy: -89.338909
where:
bonds (distance) C4'-P energy: -14.556
bonds (distance) P-C4' energy: -23.288
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -23.775
Dist. restrs. and SS energy: 1.787 (S_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: 397
Temperature: 1.150000
Total energy: -249.907718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.907718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.093446 (E_RNA)
where:
Base-Base interactions energy: -147.885
where: short stacking energy: -77.882
Base-Backbone interact. energy: -0.293
local terms energy: -101.916034
where:
bonds (distance) C4'-P energy: -19.606
bonds (distance) P-C4' energy: -23.846
flat angles C4'-P-C4' energy: -19.286
flat angles P-C4'-P energy: -15.897
tors. eta vs tors. theta energy: -23.281
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: 7, replica: 8
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -244.986734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.986734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.986734 (E_RNA)
where:
Base-Base interactions energy: -157.940
where: short stacking energy: -91.022
Base-Backbone interact. energy: -0.950
local terms energy: -86.096819
where:
bonds (distance) C4'-P energy: -18.683
bonds (distance) P-C4' energy: -18.214
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -22.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -187.921396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.921396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.997733 (E_RNA)
where:
Base-Base interactions energy: -110.108
where: short stacking energy: -51.819
Base-Backbone interact. energy: 1.784
local terms energy: -79.673668
where:
bonds (distance) C4'-P energy: -22.708
bonds (distance) P-C4' energy: -17.208
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -14.631
tors. eta vs tors. theta energy: -8.901
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: 397
Temperature: 1.300000
Total energy: -198.379341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.379341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.410283 (E_RNA)
where:
Base-Base interactions energy: -117.893
where: short stacking energy: -53.036
Base-Backbone interact. energy: -0.047
local terms energy: -80.470226
where:
bonds (distance) C4'-P energy: -16.835
bonds (distance) P-C4' energy: -22.869
flat angles C4'-P-C4' energy: -19.297
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -10.611
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: 5
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -176.420511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.420511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.424635 (E_RNA)
where:
Base-Base interactions energy: -101.143
where: short stacking energy: -41.906
Base-Backbone interact. energy: -0.596
local terms energy: -74.685312
where:
bonds (distance) C4'-P energy: -21.705
bonds (distance) P-C4' energy: -22.074
flat angles C4'-P-C4' energy: -19.985
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: 0.130
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -314.325878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.325878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.911286 (E_RNA)
where:
Base-Base interactions energy: -193.666
where: short stacking energy: -114.818
Base-Backbone interact. energy: -0.078
local terms energy: -121.166942
where:
bonds (distance) C4'-P energy: -17.546
bonds (distance) P-C4' energy: -22.955
flat angles C4'-P-C4' energy: -25.610
flat angles P-C4'-P energy: -19.556
tors. eta vs tors. theta energy: -35.500
Dist. restrs. and SS energy: 0.585 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -320.491407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.491407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.537641 (E_RNA)
where:
Base-Base interactions energy: -209.017
where: short stacking energy: -117.239
Base-Backbone interact. energy: -0.507
local terms energy: -111.013323
where:
bonds (distance) C4'-P energy: -19.294
bonds (distance) P-C4' energy: -19.840
flat angles C4'-P-C4' energy: -21.126
flat angles P-C4'-P energy: -18.938
tors. eta vs tors. theta energy: -31.815
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: 398
Temperature: 1.000000
Total energy: -269.892720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.892720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.001265 (E_RNA)
where:
Base-Base interactions energy: -162.296
where: short stacking energy: -93.412
Base-Backbone interact. energy: -0.216
local terms energy: -107.488821
where:
bonds (distance) C4'-P energy: -23.698
bonds (distance) P-C4' energy: -19.548
flat angles C4'-P-C4' energy: -24.182
flat angles P-C4'-P energy: -13.749
tors. eta vs tors. theta energy: -26.312
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: 6
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -274.574122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.574122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.634726 (E_RNA)
where:
Base-Base interactions energy: -163.951
where: short stacking energy: -95.430
Base-Backbone interact. energy: -0.224
local terms energy: -110.459502
where:
bonds (distance) C4'-P energy: -21.984
bonds (distance) P-C4' energy: -20.519
flat angles C4'-P-C4' energy: -21.225
flat angles P-C4'-P energy: -18.563
tors. eta vs tors. theta energy: -28.169
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: 5, replica: 10
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -277.016779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.016779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.016779 (E_RNA)
where:
Base-Base interactions energy: -173.009
where: short stacking energy: -106.732
Base-Backbone interact. energy: -0.115
local terms energy: -103.893323
where:
bonds (distance) C4'-P energy: -22.007
bonds (distance) P-C4' energy: -22.135
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -12.824
tors. eta vs tors. theta energy: -28.815
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -237.362501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.362501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.455613 (E_RNA)
where:
Base-Base interactions energy: -145.799
where: short stacking energy: -74.307
Base-Backbone interact. energy: -0.346
local terms energy: -91.309966
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -22.067
flat angles C4'-P-C4' energy: -22.056
flat angles P-C4'-P energy: -13.723
tors. eta vs tors. theta energy: -17.478
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: 398
Temperature: 1.200000
Total energy: -216.664434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.664434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.802768 (E_RNA)
where:
Base-Base interactions energy: -132.962
where: short stacking energy: -72.949
Base-Backbone interact. energy: -0.315
local terms energy: -83.525527
where:
bonds (distance) C4'-P energy: -19.255
bonds (distance) P-C4' energy: -17.457
flat angles C4'-P-C4' energy: -19.882
flat angles P-C4'-P energy: -13.492
tors. eta vs tors. theta energy: -13.439
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -222.829548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.829548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.926320 (E_RNA)
where:
Base-Base interactions energy: -139.827
where: short stacking energy: -68.752
Base-Backbone interact. energy: -0.454
local terms energy: -82.644919
where:
bonds (distance) C4'-P energy: -18.848
bonds (distance) P-C4' energy: -20.542
flat angles C4'-P-C4' energy: -19.168
flat angles P-C4'-P energy: -6.785
tors. eta vs tors. theta energy: -17.301
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -199.533350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.533350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.599926 (E_RNA)
where:
Base-Base interactions energy: -117.390
where: short stacking energy: -54.051
Base-Backbone interact. energy: -0.098
local terms energy: -82.111682
where:
bonds (distance) C4'-P energy: -11.257
bonds (distance) P-C4' energy: -25.573
flat angles C4'-P-C4' energy: -23.270
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: -14.352
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: 9
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -207.790415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.790415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.181345 (E_RNA)
where:
Base-Base interactions energy: -131.317
where: short stacking energy: -58.716
Base-Backbone interact. energy: -0.741
local terms energy: -76.123624
where:
bonds (distance) C4'-P energy: -16.572
bonds (distance) P-C4' energy: -23.330
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -10.589
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: 1, replica: 1
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -310.917436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.917436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.922508 (E_RNA)
where:
Base-Base interactions energy: -196.815
where: short stacking energy: -115.415
Base-Backbone interact. energy: -0.098
local terms energy: -114.009042
where:
bonds (distance) C4'-P energy: -20.766
bonds (distance) P-C4' energy: -23.573
flat angles C4'-P-C4' energy: -24.194
flat angles P-C4'-P energy: -14.986
tors. eta vs tors. theta energy: -30.490
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: 3
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -311.118565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.118565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.621118 (E_RNA)
where:
Base-Base interactions energy: -212.634
where: short stacking energy: -112.009
Base-Backbone interact. energy: -0.880
local terms energy: -100.107255
where:
bonds (distance) C4'-P energy: -18.650
bonds (distance) P-C4' energy: -12.947
flat angles C4'-P-C4' energy: -24.038
flat angles P-C4'-P energy: -15.684
tors. eta vs tors. theta energy: -28.788
Dist. restrs. and SS energy: 2.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -278.442665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.442665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.482102 (E_RNA)
where:
Base-Base interactions energy: -170.913
where: short stacking energy: -101.468
Base-Backbone interact. energy: 1.862
local terms energy: -109.431188
where:
bonds (distance) C4'-P energy: -17.778
bonds (distance) P-C4' energy: -24.667
flat angles C4'-P-C4' energy: -20.773
flat angles P-C4'-P energy: -16.000
tors. eta vs tors. theta energy: -30.215
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -258.615514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.615514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.836078 (E_RNA)
where:
Base-Base interactions energy: -152.974
where: short stacking energy: -91.576
Base-Backbone interact. energy: -0.294
local terms energy: -105.567485
where:
bonds (distance) C4'-P energy: -23.708
bonds (distance) P-C4' energy: -19.827
flat angles C4'-P-C4' energy: -23.034
flat angles P-C4'-P energy: -18.742
tors. eta vs tors. theta energy: -20.256
Dist. restrs. and SS energy: 0.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -236.491118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.491118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.491118 (E_RNA)
where:
Base-Base interactions energy: -148.839
where: short stacking energy: -79.662
Base-Backbone interact. energy: -0.989
local terms energy: -86.662821
where:
bonds (distance) C4'-P energy: -6.057
bonds (distance) P-C4' energy: -21.234
flat angles C4'-P-C4' energy: -21.380
flat angles P-C4'-P energy: -19.995
tors. eta vs tors. theta energy: -17.997
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -222.990681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.990681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.047127 (E_RNA)
where:
Base-Base interactions energy: -131.051
where: short stacking energy: -70.423
Base-Backbone interact. energy: 0.044
local terms energy: -92.040187
where:
bonds (distance) C4'-P energy: -18.819
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -26.045
flat angles P-C4'-P energy: -15.901
tors. eta vs tors. theta energy: -14.122
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: 4
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -249.189308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.189308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.376695 (E_RNA)
where:
Base-Base interactions energy: -154.046
where: short stacking energy: -88.846
Base-Backbone interact. energy: -0.170
local terms energy: -95.160426
where:
bonds (distance) C4'-P energy: -16.291
bonds (distance) P-C4' energy: -23.990
flat angles C4'-P-C4' energy: -22.103
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -24.355
Dist. restrs. and SS energy: 0.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -210.948721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.948721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.313758 (E_RNA)
where:
Base-Base interactions energy: -124.424
where: short stacking energy: -52.635
Base-Backbone interact. energy: -0.084
local terms energy: -86.806201
where:
bonds (distance) C4'-P energy: -16.315
bonds (distance) P-C4' energy: -22.630
flat angles C4'-P-C4' energy: -20.331
flat angles P-C4'-P energy: -17.669
tors. eta vs tors. theta energy: -9.861
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: 9, replica: 8
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -204.877152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.877152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.154987 (E_RNA)
where:
Base-Base interactions energy: -108.154
where: short stacking energy: -57.706
Base-Backbone interact. energy: -0.569
local terms energy: -96.432476
where:
bonds (distance) C4'-P energy: -20.314
bonds (distance) P-C4' energy: -21.599
flat angles C4'-P-C4' energy: -21.999
flat angles P-C4'-P energy: -17.003
tors. eta vs tors. theta energy: -15.518
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: 10, replica: 9
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -209.796741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.796741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.846473 (E_RNA)
where:
Base-Base interactions energy: -127.279
where: short stacking energy: -65.160
Base-Backbone interact. energy: -0.204
local terms energy: -82.363380
where:
bonds (distance) C4'-P energy: -18.973
bonds (distance) P-C4' energy: -16.724
flat angles C4'-P-C4' energy: -21.399
flat angles P-C4'-P energy: -15.824
tors. eta vs tors. theta energy: -9.443
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: 400
Temperature: 0.900000
Total energy: -308.629101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.629101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.681946 (E_RNA)
where:
Base-Base interactions energy: -195.631
where: short stacking energy: -112.495
Base-Backbone interact. energy: -0.024
local terms energy: -113.026269
where:
bonds (distance) C4'-P energy: -24.260
bonds (distance) P-C4' energy: -22.923
flat angles C4'-P-C4' energy: -22.558
flat angles P-C4'-P energy: -16.424
tors. eta vs tors. theta energy: -26.861
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: 400
Temperature: 0.950000
Total energy: -298.853924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.853924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.031941 (E_RNA)
where:
Base-Base interactions energy: -190.021
where: short stacking energy: -94.825
Base-Backbone interact. energy: -0.460
local terms energy: -108.550121
where:
bonds (distance) C4'-P energy: -23.424
bonds (distance) P-C4' energy: -23.859
flat angles C4'-P-C4' energy: -18.314
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -29.492
Dist. restrs. and SS energy: 0.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -261.902445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.902445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.008892 (E_RNA)
where:
Base-Base interactions energy: -164.605
where: short stacking energy: -93.814
Base-Backbone interact. energy: -0.024
local terms energy: -97.379968
where:
bonds (distance) C4'-P energy: -17.677
bonds (distance) P-C4' energy: -20.468
flat angles C4'-P-C4' energy: -23.464
flat angles P-C4'-P energy: -12.252
tors. eta vs tors. theta energy: -23.519
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: 10
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -264.762549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.762549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.779519 (E_RNA)
where:
Base-Base interactions energy: -163.698
where: short stacking energy: -87.879
Base-Backbone interact. energy: -0.436
local terms energy: -100.644816
where:
bonds (distance) C4'-P energy: -21.339
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -24.949
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -22.468
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: 2
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -220.922057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.922057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.922057 (E_RNA)
where:
Base-Base interactions energy: -129.189
where: short stacking energy: -60.650
Base-Backbone interact. energy: -0.216
local terms energy: -91.517001
where:
bonds (distance) C4'-P energy: -23.076
bonds (distance) P-C4' energy: -24.589
flat angles C4'-P-C4' energy: -20.317
flat angles P-C4'-P energy: -15.993
tors. eta vs tors. theta energy: -7.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -239.426859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.426859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.548618 (E_RNA)
where:
Base-Base interactions energy: -140.502
where: short stacking energy: -82.428
Base-Backbone interact. energy: 1.675
local terms energy: -100.721423
where:
bonds (distance) C4'-P energy: -20.520
bonds (distance) P-C4' energy: -26.713
flat angles C4'-P-C4' energy: -22.753
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -19.257
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: 5
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -234.962557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.962557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.457756 (E_RNA)
where:
Base-Base interactions energy: -148.775
where: short stacking energy: -62.685
Base-Backbone interact. energy: -1.205
local terms energy: -87.477223
where:
bonds (distance) C4'-P energy: -24.049
bonds (distance) P-C4' energy: -19.512
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -14.457
tors. eta vs tors. theta energy: -14.267
Dist. restrs. and SS energy: 2.495 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -209.521939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.521939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.668048 (E_RNA)
where:
Base-Base interactions energy: -131.671
where: short stacking energy: -73.442
Base-Backbone interact. energy: -0.317
local terms energy: -77.680036
where:
bonds (distance) C4'-P energy: -11.340
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -21.253
flat angles P-C4'-P energy: -13.122
tors. eta vs tors. theta energy: -17.405
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: 9
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -223.218982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.218982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.086874 (E_RNA)
where:
Base-Base interactions energy: -132.493
where: short stacking energy: -59.882
Base-Backbone interact. energy: -0.353
local terms energy: -91.241109
where:
bonds (distance) C4'-P energy: -19.850
bonds (distance) P-C4' energy: -20.216
flat angles C4'-P-C4' energy: -24.203
flat angles P-C4'-P energy: -12.481
tors. eta vs tors. theta energy: -14.492
Dist. restrs. and SS energy: 0.868 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -207.257157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.257157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.022640 (E_RNA)
where:
Base-Base interactions energy: -130.659
where: short stacking energy: -62.033
Base-Backbone interact. energy: -0.279
local terms energy: -78.084640
where:
bonds (distance) C4'-P energy: -25.216
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -7.228
flat angles P-C4'-P energy: -14.872
tors. eta vs tors. theta energy: -14.827
Dist. restrs. and SS energy: 1.765 (S_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: -291.465722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.465722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.582909 (E_RNA)
where:
Base-Base interactions energy: -185.531
where: short stacking energy: -108.101
Base-Backbone interact. energy: -0.218
local terms energy: -105.833795
where:
bonds (distance) C4'-P energy: -25.114
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -19.503
flat angles P-C4'-P energy: -15.527
tors. eta vs tors. theta energy: -28.146
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: 3
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -316.975945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.975945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.080725 (E_RNA)
where:
Base-Base interactions energy: -200.447
where: short stacking energy: -105.571
Base-Backbone interact. energy: -0.599
local terms energy: -116.035034
where:
bonds (distance) C4'-P energy: -22.402
bonds (distance) P-C4' energy: -22.570
flat angles C4'-P-C4' energy: -25.233
flat angles P-C4'-P energy: -12.824
tors. eta vs tors. theta energy: -33.007
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -266.073004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.073004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.125130 (E_RNA)
where:
Base-Base interactions energy: -157.673
where: short stacking energy: -85.542
Base-Backbone interact. energy: -0.057
local terms energy: -108.395588
where:
bonds (distance) C4'-P energy: -24.375
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -25.898
flat angles P-C4'-P energy: -16.689
tors. eta vs tors. theta energy: -25.035
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: 401
Temperature: 1.050000
Total energy: -258.767879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.767879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.282270 (E_RNA)
where:
Base-Base interactions energy: -156.747
where: short stacking energy: -81.579
Base-Backbone interact. energy: -0.393
local terms energy: -102.142133
where:
bonds (distance) C4'-P energy: -20.041
bonds (distance) P-C4' energy: -23.238
flat angles C4'-P-C4' energy: -22.424
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -24.918
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: 5, replica: 2
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -240.873538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.873538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.536474 (E_RNA)
where:
Base-Base interactions energy: -142.860
where: short stacking energy: -71.944
Base-Backbone interact. energy: -0.480
local terms energy: -99.196313
where:
bonds (distance) C4'-P energy: -21.980
bonds (distance) P-C4' energy: -24.203
flat angles C4'-P-C4' energy: -19.183
flat angles P-C4'-P energy: -17.558
tors. eta vs tors. theta energy: -16.272
Dist. restrs. and SS energy: 1.663 (S_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: -250.911773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.911773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.471408 (E_RNA)
where:
Base-Base interactions energy: -161.313
where: short stacking energy: -87.976
Base-Backbone interact. energy: -0.008
local terms energy: -90.150209
where:
bonds (distance) C4'-P energy: -16.006
bonds (distance) P-C4' energy: -18.081
flat angles C4'-P-C4' energy: -19.034
flat angles P-C4'-P energy: -14.585
tors. eta vs tors. theta energy: -22.445
Dist. restrs. and SS energy: 0.560 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -212.822514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.822514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.151069 (E_RNA)
where:
Base-Base interactions energy: -121.604
where: short stacking energy: -62.329
Base-Backbone interact. energy: -0.204
local terms energy: -91.342780
where:
bonds (distance) C4'-P energy: -23.142
bonds (distance) P-C4' energy: -21.588
flat angles C4'-P-C4' energy: -18.439
flat angles P-C4'-P energy: -15.274
tors. eta vs tors. theta energy: -12.900
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: 9
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -224.137410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.137410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.145848 (E_RNA)
where:
Base-Base interactions energy: -138.222
where: short stacking energy: -65.317
Base-Backbone interact. energy: -0.426
local terms energy: -85.497650
where:
bonds (distance) C4'-P energy: -20.791
bonds (distance) P-C4' energy: -21.128
flat angles C4'-P-C4' energy: -18.621
flat angles P-C4'-P energy: -12.757
tors. eta vs tors. theta energy: -12.201
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: 401
Temperature: 1.300000
Total energy: -203.533255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.533255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.744430 (E_RNA)
where:
Base-Base interactions energy: -123.993
where: short stacking energy: -66.318
Base-Backbone interact. energy: 1.046
local terms energy: -80.797543
where:
bonds (distance) C4'-P energy: -16.934
bonds (distance) P-C4' energy: -17.250
flat angles C4'-P-C4' energy: -21.075
flat angles P-C4'-P energy: -14.012
tors. eta vs tors. theta energy: -11.527
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: 8
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -188.983517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.983517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.100868 (E_RNA)
where:
Base-Base interactions energy: -112.304
where: short stacking energy: -49.174
Base-Backbone interact. energy: -0.570
local terms energy: -77.226751
where:
bonds (distance) C4'-P energy: -19.014
bonds (distance) P-C4' energy: -19.978
flat angles C4'-P-C4' energy: -18.833
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -9.261
Dist. restrs. and SS energy: 1.117 (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: 3
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -320.802889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.802889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.836251 (E_RNA)
where:
Base-Base interactions energy: -202.770
where: short stacking energy: -108.778
Base-Backbone interact. energy: -0.677
local terms energy: -117.388777
where:
bonds (distance) C4'-P energy: -21.405
bonds (distance) P-C4' energy: -24.013
flat angles C4'-P-C4' energy: -25.354
flat angles P-C4'-P energy: -16.138
tors. eta vs tors. theta energy: -30.479
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -286.864200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.864200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.939690 (E_RNA)
where:
Base-Base interactions energy: -190.414
where: short stacking energy: -91.414
Base-Backbone interact. energy: 0.169
local terms energy: -97.694711
where:
bonds (distance) C4'-P energy: -19.078
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -21.029
flat angles P-C4'-P energy: -14.535
tors. eta vs tors. theta energy: -24.862
Dist. restrs. and SS energy: 1.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -262.541136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.541136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.970609 (E_RNA)
where:
Base-Base interactions energy: -158.108
where: short stacking energy: -81.666
Base-Backbone interact. energy: -0.430
local terms energy: -104.432782
where:
bonds (distance) C4'-P energy: -17.985
bonds (distance) P-C4' energy: -25.342
flat angles C4'-P-C4' energy: -20.841
flat angles P-C4'-P energy: -19.754
tors. eta vs tors. theta energy: -20.511
Dist. restrs. and SS energy: 0.429 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -236.203963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.203963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.461698 (E_RNA)
where:
Base-Base interactions energy: -140.412
where: short stacking energy: -76.760
Base-Backbone interact. energy: -0.295
local terms energy: -95.754992
where:
bonds (distance) C4'-P energy: -22.662
bonds (distance) P-C4' energy: -17.627
flat angles C4'-P-C4' energy: -22.919
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -21.101
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: 5, replica: 5
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -247.878584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.878584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.884255 (E_RNA)
where:
Base-Base interactions energy: -144.623
where: short stacking energy: -83.071
Base-Backbone interact. energy: -0.137
local terms energy: -103.124458
where:
bonds (distance) C4'-P energy: -22.848
bonds (distance) P-C4' energy: -17.633
flat angles C4'-P-C4' energy: -23.904
flat angles P-C4'-P energy: -16.173
tors. eta vs tors. theta energy: -22.566
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: 402
Temperature: 1.150000
Total energy: -228.734333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.734333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.804506 (E_RNA)
where:
Base-Base interactions energy: -135.315
where: short stacking energy: -75.483
Base-Backbone interact. energy: -0.142
local terms energy: -93.347417
where:
bonds (distance) C4'-P energy: -22.922
bonds (distance) P-C4' energy: -20.429
flat angles C4'-P-C4' energy: -18.602
flat angles P-C4'-P energy: -16.086
tors. eta vs tors. theta energy: -15.309
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: 9
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -233.242139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.242139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.265830 (E_RNA)
where:
Base-Base interactions energy: -140.243
where: short stacking energy: -69.007
Base-Backbone interact. energy: 0.150
local terms energy: -93.172666
where:
bonds (distance) C4'-P energy: -21.190
bonds (distance) P-C4' energy: -21.861
flat angles C4'-P-C4' energy: -17.505
flat angles P-C4'-P energy: -14.645
tors. eta vs tors. theta energy: -17.972
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: 402
Temperature: 1.250000
Total energy: -211.466587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.466587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.819336 (E_RNA)
where:
Base-Base interactions energy: -129.764
where: short stacking energy: -64.245
Base-Backbone interact. energy: -0.073
local terms energy: -81.981967
where:
bonds (distance) C4'-P energy: -16.419
bonds (distance) P-C4' energy: -22.184
flat angles C4'-P-C4' energy: -16.447
flat angles P-C4'-P energy: -14.678
tors. eta vs tors. theta energy: -12.253
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: 4
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -215.153809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.153809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.067866 (E_RNA)
where:
Base-Base interactions energy: -135.863
where: short stacking energy: -68.706
Base-Backbone interact. energy: -0.337
local terms energy: -79.868208
where:
bonds (distance) C4'-P energy: -20.183
bonds (distance) P-C4' energy: -16.049
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -14.803
tors. eta vs tors. theta energy: -12.552
Dist. restrs. and SS energy: 0.914 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -213.940359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.940359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.942436 (E_RNA)
where:
Base-Base interactions energy: -134.353
where: short stacking energy: -68.757
Base-Backbone interact. energy: -0.203
local terms energy: -79.386473
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -20.834
flat angles C4'-P-C4' energy: -19.217
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: -16.780
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: 3
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -325.485755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.485755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.486705 (E_RNA)
where:
Base-Base interactions energy: -207.021
where: short stacking energy: -111.644
Base-Backbone interact. energy: -0.830
local terms energy: -117.635840
where:
bonds (distance) C4'-P energy: -22.795
bonds (distance) P-C4' energy: -24.141
flat angles C4'-P-C4' energy: -20.075
flat angles P-C4'-P energy: -17.353
tors. eta vs tors. theta energy: -33.272
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: 403
Temperature: 0.950000
Total energy: -277.731655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.731655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.952053 (E_RNA)
where:
Base-Base interactions energy: -163.916
where: short stacking energy: -89.831
Base-Backbone interact. energy: -0.054
local terms energy: -113.981647
where:
bonds (distance) C4'-P energy: -21.445
bonds (distance) P-C4' energy: -21.242
flat angles C4'-P-C4' energy: -27.153
flat angles P-C4'-P energy: -16.187
tors. eta vs tors. theta energy: -27.954
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: 10
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -281.600877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.600877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.688455 (E_RNA)
where:
Base-Base interactions energy: -165.530
where: short stacking energy: -94.565
Base-Backbone interact. energy: -0.977
local terms energy: -115.181788
where:
bonds (distance) C4'-P energy: -18.162
bonds (distance) P-C4' energy: -21.109
flat angles C4'-P-C4' energy: -27.282
flat angles P-C4'-P energy: -18.691
tors. eta vs tors. theta energy: -29.938
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: 403
Temperature: 1.050000
Total energy: -257.700134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.700134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.768916 (E_RNA)
where:
Base-Base interactions energy: -154.782
where: short stacking energy: -74.892
Base-Backbone interact. energy: -0.371
local terms energy: -102.615959
where:
bonds (distance) C4'-P energy: -19.561
bonds (distance) P-C4' energy: -26.604
flat angles C4'-P-C4' energy: -22.297
flat angles P-C4'-P energy: -12.579
tors. eta vs tors. theta energy: -21.574
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -251.190274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.190274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.261467 (E_RNA)
where:
Base-Base interactions energy: -149.214
where: short stacking energy: -84.573
Base-Backbone interact. energy: -0.160
local terms energy: -101.887069
where:
bonds (distance) C4'-P energy: -23.925
bonds (distance) P-C4' energy: -22.093
flat angles C4'-P-C4' energy: -17.752
flat angles P-C4'-P energy: -17.671
tors. eta vs tors. theta energy: -20.446
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: 9
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -236.630657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.630657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.873359 (E_RNA)
where:
Base-Base interactions energy: -137.912
where: short stacking energy: -71.517
Base-Backbone interact. energy: -0.049
local terms energy: -99.912539
where:
bonds (distance) C4'-P energy: -19.325
bonds (distance) P-C4' energy: -23.465
flat angles C4'-P-C4' energy: -22.188
flat angles P-C4'-P energy: -17.235
tors. eta vs tors. theta energy: -17.701
Dist. restrs. and SS energy: 1.243 (S_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: 403
Temperature: 1.200000
Total energy: -230.745494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.745494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.799482 (E_RNA)
where:
Base-Base interactions energy: -142.013
where: short stacking energy: -67.332
Base-Backbone interact. energy: -0.233
local terms energy: -88.552649
where:
bonds (distance) C4'-P energy: -18.381
bonds (distance) P-C4' energy: -22.566
flat angles C4'-P-C4' energy: -18.291
flat angles P-C4'-P energy: -15.286
tors. eta vs tors. theta energy: -14.029
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: 4
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -226.633765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.633765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.667403 (E_RNA)
where:
Base-Base interactions energy: -150.834
where: short stacking energy: -77.465
Base-Backbone interact. energy: 0.343
local terms energy: -76.176445
where:
bonds (distance) C4'-P energy: -14.692
bonds (distance) P-C4' energy: -15.848
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -15.533
tors. eta vs tors. theta energy: -16.142
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: 6
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -217.588460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.588460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.608740 (E_RNA)
where:
Base-Base interactions energy: -131.103
where: short stacking energy: -72.706
Base-Backbone interact. energy: 0.113
local terms energy: -86.618464
where:
bonds (distance) C4'-P energy: -19.403
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -15.966
tors. eta vs tors. theta energy: -16.737
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: 8
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -186.779324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.779324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.813097 (E_RNA)
where:
Base-Base interactions energy: -122.290
where: short stacking energy: -55.342
Base-Backbone interact. energy: 1.592
local terms energy: -66.115091
where:
bonds (distance) C4'-P energy: -17.262
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -10.925
tors. eta vs tors. theta energy: -4.459
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -314.217273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.217273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.248909 (E_RNA)
where:
Base-Base interactions energy: -199.942
where: short stacking energy: -111.517
Base-Backbone interact. energy: -0.421
local terms energy: -113.885962
where:
bonds (distance) C4'-P energy: -19.001
bonds (distance) P-C4' energy: -18.323
flat angles C4'-P-C4' energy: -25.143
flat angles P-C4'-P energy: -17.508
tors. eta vs tors. theta energy: -33.911
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: 1
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -271.239934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.239934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.501422 (E_RNA)
where:
Base-Base interactions energy: -165.520
where: short stacking energy: -85.820
Base-Backbone interact. energy: 2.082
local terms energy: -109.063376
where:
bonds (distance) C4'-P energy: -22.655
bonds (distance) P-C4' energy: -24.289
flat angles C4'-P-C4' energy: -24.921
flat angles P-C4'-P energy: -17.140
tors. eta vs tors. theta energy: -20.058
Dist. restrs. and SS energy: 1.261 (S_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: -261.510884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.510884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.511192 (E_RNA)
where:
Base-Base interactions energy: -163.240
where: short stacking energy: -87.988
Base-Backbone interact. energy: -0.020
local terms energy: -98.251133
where:
bonds (distance) C4'-P energy: -18.817
bonds (distance) P-C4' energy: -20.963
flat angles C4'-P-C4' energy: -20.951
flat angles P-C4'-P energy: -17.681
tors. eta vs tors. theta energy: -19.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -256.190101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.190101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.190101 (E_RNA)
where:
Base-Base interactions energy: -151.908
where: short stacking energy: -78.029
Base-Backbone interact. energy: -0.157
local terms energy: -104.124989
where:
bonds (distance) C4'-P energy: -19.839
bonds (distance) P-C4' energy: -24.352
flat angles C4'-P-C4' energy: -22.073
flat angles P-C4'-P energy: -16.220
tors. eta vs tors. theta energy: -21.640
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -230.903137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.903137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.935553 (E_RNA)
where:
Base-Base interactions energy: -134.180
where: short stacking energy: -72.403
Base-Backbone interact. energy: -0.052
local terms energy: -96.703656
where:
bonds (distance) C4'-P energy: -20.129
bonds (distance) P-C4' energy: -18.110
flat angles C4'-P-C4' energy: -22.251
flat angles P-C4'-P energy: -16.604
tors. eta vs tors. theta energy: -19.610
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -237.462013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.462013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.476777 (E_RNA)
where:
Base-Base interactions energy: -145.850
where: short stacking energy: -86.276
Base-Backbone interact. energy: -0.006
local terms energy: -91.621416
where:
bonds (distance) C4'-P energy: -12.892
bonds (distance) P-C4' energy: -18.180
flat angles C4'-P-C4' energy: -21.914
flat angles P-C4'-P energy: -15.499
tors. eta vs tors. theta energy: -23.137
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -230.354204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.354204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.398131 (E_RNA)
where:
Base-Base interactions energy: -147.612
where: short stacking energy: -83.080
Base-Backbone interact. energy: -0.576
local terms energy: -82.209444
where:
bonds (distance) C4'-P energy: -15.198
bonds (distance) P-C4' energy: -11.289
flat angles C4'-P-C4' energy: -21.495
flat angles P-C4'-P energy: -15.395
tors. eta vs tors. theta energy: -18.833
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: 2
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -224.106140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.106140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.128975 (E_RNA)
where:
Base-Base interactions energy: -130.699
where: short stacking energy: -69.603
Base-Backbone interact. energy: 0.216
local terms energy: -93.645342
where:
bonds (distance) C4'-P energy: -20.167
bonds (distance) P-C4' energy: -21.255
flat angles C4'-P-C4' energy: -22.351
flat angles P-C4'-P energy: -12.856
tors. eta vs tors. theta energy: -17.017
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: 8
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -200.936983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.936983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.044749 (E_RNA)
where:
Base-Base interactions energy: -122.327
where: short stacking energy: -56.113
Base-Backbone interact. energy: -0.271
local terms energy: -78.446269
where:
bonds (distance) C4'-P energy: -18.887
bonds (distance) P-C4' energy: -19.835
flat angles C4'-P-C4' energy: -17.338
flat angles P-C4'-P energy: -13.583
tors. eta vs tors. theta energy: -8.803
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: 10, replica: 6
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -196.022291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.022291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.022291 (E_RNA)
where:
Base-Base interactions energy: -113.316
where: short stacking energy: -55.317
Base-Backbone interact. energy: -0.151
local terms energy: -82.554782
where:
bonds (distance) C4'-P energy: -8.254
bonds (distance) P-C4' energy: -23.181
flat angles C4'-P-C4' energy: -19.358
flat angles P-C4'-P energy: -15.680
tors. eta vs tors. theta energy: -16.081
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -299.263230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.263230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.355774 (E_RNA)
where:
Base-Base interactions energy: -184.762
where: short stacking energy: -101.792
Base-Backbone interact. energy: -1.029
local terms energy: -113.564623
where:
bonds (distance) C4'-P energy: -21.511
bonds (distance) P-C4' energy: -23.875
flat angles C4'-P-C4' energy: -23.301
flat angles P-C4'-P energy: -15.052
tors. eta vs tors. theta energy: -29.826
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: 5
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -262.571918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.571918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.647196 (E_RNA)
where:
Base-Base interactions energy: -157.761
where: short stacking energy: -89.236
Base-Backbone interact. energy: 0.872
local terms energy: -105.758344
where:
bonds (distance) C4'-P energy: -23.481
bonds (distance) P-C4' energy: -23.419
flat angles C4'-P-C4' energy: -24.644
flat angles P-C4'-P energy: -13.961
tors. eta vs tors. theta energy: -20.253
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: 1
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -260.461683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.461683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.633792 (E_RNA)
where:
Base-Base interactions energy: -152.365
where: short stacking energy: -88.598
Base-Backbone interact. energy: -1.093
local terms energy: -107.175456
where:
bonds (distance) C4'-P energy: -20.130
bonds (distance) P-C4' energy: -25.159
flat angles C4'-P-C4' energy: -26.251
flat angles P-C4'-P energy: -15.400
tors. eta vs tors. theta energy: -20.235
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: 4, replica: 10
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -237.687480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.687480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.687791 (E_RNA)
where:
Base-Base interactions energy: -142.484
where: short stacking energy: -57.992
Base-Backbone interact. energy: -0.113
local terms energy: -95.091075
where:
bonds (distance) C4'-P energy: -22.823
bonds (distance) P-C4' energy: -21.516
flat angles C4'-P-C4' energy: -19.392
flat angles P-C4'-P energy: -16.271
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: 5, replica: 9
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -233.988713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.988713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.188552 (E_RNA)
where:
Base-Base interactions energy: -143.499
where: short stacking energy: -71.122
Base-Backbone interact. energy: -0.392
local terms energy: -90.298462
where:
bonds (distance) C4'-P energy: -16.958
bonds (distance) P-C4' energy: -20.152
flat angles C4'-P-C4' energy: -19.114
flat angles P-C4'-P energy: -16.992
tors. eta vs tors. theta energy: -17.081
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: 4
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -240.627267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.627267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.742638 (E_RNA)
where:
Base-Base interactions energy: -151.063
where: short stacking energy: -87.224
Base-Backbone interact. energy: -0.185
local terms energy: -89.495005
where:
bonds (distance) C4'-P energy: -16.163
bonds (distance) P-C4' energy: -19.972
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -18.317
tors. eta vs tors. theta energy: -19.464
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: 7
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -226.355648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.355648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.373175 (E_RNA)
where:
Base-Base interactions energy: -137.175
where: short stacking energy: -70.379
Base-Backbone interact. energy: -0.166
local terms energy: -89.031694
where:
bonds (distance) C4'-P energy: -18.456
bonds (distance) P-C4' energy: -15.771
flat angles C4'-P-C4' energy: -21.646
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -22.900
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: 405
Temperature: 1.250000
Total energy: -212.083708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.083708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.141981 (E_RNA)
where:
Base-Base interactions energy: -131.855
where: short stacking energy: -60.345
Base-Backbone interact. energy: -0.297
local terms energy: -79.989733
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -18.420
flat angles C4'-P-C4' energy: -20.243
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -14.314
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: 2
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -207.250323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.250323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.380476 (E_RNA)
where:
Base-Base interactions energy: -120.752
where: short stacking energy: -58.793
Base-Backbone interact. energy: 2.292
local terms energy: -88.920386
where:
bonds (distance) C4'-P energy: -25.916
bonds (distance) P-C4' energy: -20.887
flat angles C4'-P-C4' energy: -21.744
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -10.750
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: 6
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -215.784555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.784555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.080407 (E_RNA)
where:
Base-Base interactions energy: -146.216
where: short stacking energy: -66.919
Base-Backbone interact. energy: -0.067
local terms energy: -70.797818
where:
bonds (distance) C4'-P energy: -10.996
bonds (distance) P-C4' energy: -18.170
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -14.247
tors. eta vs tors. theta energy: -11.242
Dist. restrs. and SS energy: 1.296 (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: 5
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -279.581590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.581590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.655618 (E_RNA)
where:
Base-Base interactions energy: -165.613
where: short stacking energy: -98.542
Base-Backbone interact. energy: 0.113
local terms energy: -114.155237
where:
bonds (distance) C4'-P energy: -22.270
bonds (distance) P-C4' energy: -23.190
flat angles C4'-P-C4' energy: -23.501
flat angles P-C4'-P energy: -17.886
tors. eta vs tors. theta energy: -27.309
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: 406
Temperature: 0.950000
Total energy: -325.892659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.892659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.902205 (E_RNA)
where:
Base-Base interactions energy: -206.113
where: short stacking energy: -115.573
Base-Backbone interact. energy: -0.615
local terms energy: -119.174509
where:
bonds (distance) C4'-P energy: -21.161
bonds (distance) P-C4' energy: -25.180
flat angles C4'-P-C4' energy: -19.257
flat angles P-C4'-P energy: -20.271
tors. eta vs tors. theta energy: -33.305
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: 1
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -277.296492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.296492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.321826 (E_RNA)
where:
Base-Base interactions energy: -182.311
where: short stacking energy: -96.438
Base-Backbone interact. energy: -0.146
local terms energy: -94.864729
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -23.987
flat angles C4'-P-C4' energy: -17.631
flat angles P-C4'-P energy: -13.355
tors. eta vs tors. theta energy: -24.975
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: 406
Temperature: 1.050000
Total energy: -269.738194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.738194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.738194 (E_RNA)
where:
Base-Base interactions energy: -170.984
where: short stacking energy: -84.409
Base-Backbone interact. energy: -0.343
local terms energy: -98.411358
where:
bonds (distance) C4'-P energy: -16.097
bonds (distance) P-C4' energy: -21.820
flat angles C4'-P-C4' energy: -23.935
flat angles P-C4'-P energy: -16.207
tors. eta vs tors. theta energy: -20.354
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -264.105550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.105550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.138012 (E_RNA)
where:
Base-Base interactions energy: -163.651
where: short stacking energy: -90.191
Base-Backbone interact. energy: -0.176
local terms energy: -100.311452
where:
bonds (distance) C4'-P energy: -16.519
bonds (distance) P-C4' energy: -21.288
flat angles C4'-P-C4' energy: -22.934
flat angles P-C4'-P energy: -18.738
tors. eta vs tors. theta energy: -20.833
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: 6, replica: 9
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -235.032301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.032301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.651539 (E_RNA)
where:
Base-Base interactions energy: -144.259
where: short stacking energy: -69.806
Base-Backbone interact. energy: -0.217
local terms energy: -92.175618
where:
bonds (distance) C4'-P energy: -20.128
bonds (distance) P-C4' energy: -23.592
flat angles C4'-P-C4' energy: -18.979
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -18.070
Dist. restrs. and SS energy: 1.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -212.863775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.863775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.115038 (E_RNA)
where:
Base-Base interactions energy: -130.113
where: short stacking energy: -66.927
Base-Backbone interact. energy: -0.479
local terms energy: -82.522844
where:
bonds (distance) C4'-P energy: -24.414
bonds (distance) P-C4' energy: -19.986
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -14.812
tors. eta vs tors. theta energy: -7.994
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: 8, replica: 7
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -208.943727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.943727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.957944 (E_RNA)
where:
Base-Base interactions energy: -125.437
where: short stacking energy: -61.280
Base-Backbone interact. energy: -0.006
local terms energy: -83.515508
where:
bonds (distance) C4'-P energy: -19.633
bonds (distance) P-C4' energy: -21.194
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -17.620
tors. eta vs tors. theta energy: -12.963
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: 406
Temperature: 1.300000
Total energy: -209.387737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.387737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.636753 (E_RNA)
where:
Base-Base interactions energy: -119.676
where: short stacking energy: -65.529
Base-Backbone interact. energy: 0.519
local terms energy: -90.479749
where:
bonds (distance) C4'-P energy: -14.871
bonds (distance) P-C4' energy: -26.045
flat angles C4'-P-C4' energy: -16.948
flat angles P-C4'-P energy: -14.627
tors. eta vs tors. theta energy: -17.990
Dist. restrs. and SS energy: 0.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -199.679727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.679727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.453802 (E_RNA)
where:
Base-Base interactions energy: -125.460
where: short stacking energy: -62.103
Base-Backbone interact. energy: -0.439
local terms energy: -74.554745
where:
bonds (distance) C4'-P energy: -17.612
bonds (distance) P-C4' energy: -18.353
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -10.408
Dist. restrs. and SS energy: 0.774 (S_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: 407
Temperature: 0.900000
Total energy: -286.281043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.281043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.501973 (E_RNA)
where:
Base-Base interactions energy: -171.766
where: short stacking energy: -108.317
Base-Backbone interact. energy: -0.019
local terms energy: -114.716289
where:
bonds (distance) C4'-P energy: -23.384
bonds (distance) P-C4' energy: -24.309
flat angles C4'-P-C4' energy: -22.699
flat angles P-C4'-P energy: -15.447
tors. eta vs tors. theta energy: -28.878
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: 2, replica: 3
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -300.203620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.203620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.241914 (E_RNA)
where:
Base-Base interactions energy: -201.597
where: short stacking energy: -100.254
Base-Backbone interact. energy: -0.741
local terms energy: -97.904079
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -23.324
flat angles C4'-P-C4' energy: -18.802
flat angles P-C4'-P energy: -13.632
tors. eta vs tors. theta energy: -28.833
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -263.921175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.921175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.254747 (E_RNA)
where:
Base-Base interactions energy: -158.920
where: short stacking energy: -74.608
Base-Backbone interact. energy: -0.085
local terms energy: -106.249134
where:
bonds (distance) C4'-P energy: -20.965
bonds (distance) P-C4' energy: -25.741
flat angles C4'-P-C4' energy: -24.106
flat angles P-C4'-P energy: -17.709
tors. eta vs tors. theta energy: -17.727
Dist. restrs. and SS energy: 1.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -273.366517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.366517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.224381 (E_RNA)
where:
Base-Base interactions energy: -164.123
where: short stacking energy: -92.288
Base-Backbone interact. energy: -0.045
local terms energy: -110.055752
where:
bonds (distance) C4'-P energy: -21.057
bonds (distance) P-C4' energy: -21.735
flat angles C4'-P-C4' energy: -25.383
flat angles P-C4'-P energy: -16.951
tors. eta vs tors. theta energy: -24.930
Dist. restrs. and SS energy: 0.858 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -272.362040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.362040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.600335 (E_RNA)
where:
Base-Base interactions energy: -163.446
where: short stacking energy: -92.839
Base-Backbone interact. energy: -0.022
local terms energy: -109.132260
where:
bonds (distance) C4'-P energy: -22.704
bonds (distance) P-C4' energy: -23.517
flat angles C4'-P-C4' energy: -23.018
flat angles P-C4'-P energy: -15.227
tors. eta vs tors. theta energy: -24.666
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: 6, replica: 9
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -233.191176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.191176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.896155 (E_RNA)
where:
Base-Base interactions energy: -151.464
where: short stacking energy: -76.548
Base-Backbone interact. energy: -1.061
local terms energy: -81.371552
where:
bonds (distance) C4'-P energy: -16.054
bonds (distance) P-C4' energy: -17.106
flat angles C4'-P-C4' energy: -18.323
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -19.499
Dist. restrs. and SS energy: 0.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -223.542356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.542356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.878389 (E_RNA)
where:
Base-Base interactions energy: -137.356
where: short stacking energy: -75.699
Base-Backbone interact. energy: -0.306
local terms energy: -86.216354
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -26.944
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -14.714
Dist. restrs. and SS energy: 0.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -209.299362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.299362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.335262 (E_RNA)
where:
Base-Base interactions energy: -128.952
where: short stacking energy: -56.666
Base-Backbone interact. energy: 1.234
local terms energy: -81.616844
where:
bonds (distance) C4'-P energy: -21.294
bonds (distance) P-C4' energy: -23.474
flat angles C4'-P-C4' energy: -11.188
flat angles P-C4'-P energy: -14.388
tors. eta vs tors. theta energy: -11.273
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -208.664021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.664021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.844275 (E_RNA)
where:
Base-Base interactions energy: -122.069
where: short stacking energy: -60.815
Base-Backbone interact. energy: -0.148
local terms energy: -86.627930
where:
bonds (distance) C4'-P energy: -17.422
bonds (distance) P-C4' energy: -24.607
flat angles C4'-P-C4' energy: -16.962
flat angles P-C4'-P energy: -13.979
tors. eta vs tors. theta energy: -13.658
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: 10, replica: 6
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -211.424931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.424931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.448527 (E_RNA)
where:
Base-Base interactions energy: -129.619
where: short stacking energy: -62.339
Base-Backbone interact. energy: -0.039
local terms energy: -81.790816
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -21.353
flat angles C4'-P-C4' energy: -19.757
flat angles P-C4'-P energy: -12.410
tors. eta vs tors. theta energy: -12.655
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: 3
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -308.936641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.936641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.781533 (E_RNA)
where:
Base-Base interactions energy: -199.977
where: short stacking energy: -100.950
Base-Backbone interact. energy: -0.964
local terms energy: -108.840657
where:
bonds (distance) C4'-P energy: -19.931
bonds (distance) P-C4' energy: -22.930
flat angles C4'-P-C4' energy: -24.101
flat angles P-C4'-P energy: -14.736
tors. eta vs tors. theta energy: -27.143
Dist. restrs. and SS energy: 0.845 (S_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: 408
Temperature: 0.950000
Total energy: -284.196039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.196039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.348497 (E_RNA)
where:
Base-Base interactions energy: -170.804
where: short stacking energy: -97.732
Base-Backbone interact. energy: -0.478
local terms energy: -113.066636
where:
bonds (distance) C4'-P energy: -22.529
bonds (distance) P-C4' energy: -22.612
flat angles C4'-P-C4' energy: -22.014
flat angles P-C4'-P energy: -16.178
tors. eta vs tors. theta energy: -29.734
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: 1
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -262.237922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.237922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.382251 (E_RNA)
where:
Base-Base interactions energy: -161.649
where: short stacking energy: -93.576
Base-Backbone interact. energy: -1.269
local terms energy: -99.464101
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -21.672
flat angles C4'-P-C4' energy: -21.736
flat angles P-C4'-P energy: -16.202
tors. eta vs tors. theta energy: -24.536
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: 10
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -263.778293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.778293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.854487 (E_RNA)
where:
Base-Base interactions energy: -156.555
where: short stacking energy: -89.294
Base-Backbone interact. energy: -0.058
local terms energy: -107.241762
where:
bonds (distance) C4'-P energy: -20.885
bonds (distance) P-C4' energy: -23.678
flat angles C4'-P-C4' energy: -19.922
flat angles P-C4'-P energy: -19.475
tors. eta vs tors. theta energy: -23.281
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: 9
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -242.322575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.322575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.746147 (E_RNA)
where:
Base-Base interactions energy: -147.841
where: short stacking energy: -71.371
Base-Backbone interact. energy: -1.043
local terms energy: -93.861990
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -20.685
flat angles C4'-P-C4' energy: -20.514
flat angles P-C4'-P energy: -17.052
tors. eta vs tors. theta energy: -18.487
Dist. restrs. and SS energy: 0.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -249.734921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.734921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.734921 (E_RNA)
where:
Base-Base interactions energy: -156.452
where: short stacking energy: -88.856
Base-Backbone interact. energy: 1.100
local terms energy: -94.382990
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -21.672
flat angles C4'-P-C4' energy: -18.715
flat angles P-C4'-P energy: -15.877
tors. eta vs tors. theta energy: -23.498
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -231.487111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.487111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.616029 (E_RNA)
where:
Base-Base interactions energy: -152.845
where: short stacking energy: -81.729
Base-Backbone interact. energy: -0.300
local terms energy: -78.471524
where:
bonds (distance) C4'-P energy: -18.407
bonds (distance) P-C4' energy: -9.395
flat angles C4'-P-C4' energy: -19.252
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -20.006
Dist. restrs. and SS energy: 0.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -212.304453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.304453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.317082 (E_RNA)
where:
Base-Base interactions energy: -122.823
where: short stacking energy: -58.349
Base-Backbone interact. energy: -0.101
local terms energy: -89.392679
where:
bonds (distance) C4'-P energy: -22.418
bonds (distance) P-C4' energy: -22.068
flat angles C4'-P-C4' energy: -18.049
flat angles P-C4'-P energy: -15.581
tors. eta vs tors. theta energy: -11.277
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -217.781349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.781349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.160167 (E_RNA)
where:
Base-Base interactions energy: -132.732
where: short stacking energy: -72.111
Base-Backbone interact. energy: 0.083
local terms energy: -85.511658
where:
bonds (distance) C4'-P energy: -14.652
bonds (distance) P-C4' energy: -19.237
flat angles C4'-P-C4' energy: -22.260
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -19.730
Dist. restrs. and SS energy: 0.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -202.139066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.139066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.521681 (E_RNA)
where:
Base-Base interactions energy: -120.671
where: short stacking energy: -53.906
Base-Backbone interact. energy: -1.120
local terms energy: -80.730703
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -20.854
flat angles C4'-P-C4' energy: -21.437
flat angles P-C4'-P energy: -12.563
tors. eta vs tors. theta energy: -10.313
Dist. restrs. and SS energy: 0.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -330.870614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.870614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.909207 (E_RNA)
where:
Base-Base interactions energy: -209.559
where: short stacking energy: -116.471
Base-Backbone interact. energy: -1.039
local terms energy: -120.311078
where:
bonds (distance) C4'-P energy: -21.109
bonds (distance) P-C4' energy: -23.003
flat angles C4'-P-C4' energy: -24.910
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -37.863
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: 409
Temperature: 0.950000
Total energy: -272.190870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.190870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.190870 (E_RNA)
where:
Base-Base interactions energy: -171.931
where: short stacking energy: -97.056
Base-Backbone interact. energy: -0.020
local terms energy: -100.239752
where:
bonds (distance) C4'-P energy: -21.080
bonds (distance) P-C4' energy: -22.016
flat angles C4'-P-C4' energy: -19.035
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: -24.763
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -261.863099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.863099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.935912 (E_RNA)
where:
Base-Base interactions energy: -157.273
where: short stacking energy: -80.468
Base-Backbone interact. energy: -0.102
local terms energy: -105.561155
where:
bonds (distance) C4'-P energy: -21.872
bonds (distance) P-C4' energy: -23.640
flat angles C4'-P-C4' energy: -17.903
flat angles P-C4'-P energy: -19.219
tors. eta vs tors. theta energy: -22.927
Dist. restrs. and SS energy: 1.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -274.924879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.924879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.961880 (E_RNA)
where:
Base-Base interactions energy: -167.265
where: short stacking energy: -97.562
Base-Backbone interact. energy: -0.685
local terms energy: -107.011877
where:
bonds (distance) C4'-P energy: -21.453
bonds (distance) P-C4' energy: -20.105
flat angles C4'-P-C4' energy: -22.330
flat angles P-C4'-P energy: -17.107
tors. eta vs tors. theta energy: -26.017
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: 409
Temperature: 1.100000
Total energy: -238.634271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.634271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.770981 (E_RNA)
where:
Base-Base interactions energy: -139.394
where: short stacking energy: -77.525
Base-Backbone interact. energy: -0.913
local terms energy: -98.464506
where:
bonds (distance) C4'-P energy: -21.767
bonds (distance) P-C4' energy: -19.368
flat angles C4'-P-C4' energy: -20.237
flat angles P-C4'-P energy: -18.005
tors. eta vs tors. theta energy: -19.087
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: 4
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -245.337242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.337242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.337242 (E_RNA)
where:
Base-Base interactions energy: -160.245
where: short stacking energy: -76.959
Base-Backbone interact. energy: 0.881
local terms energy: -85.973797
where:
bonds (distance) C4'-P energy: -20.527
bonds (distance) P-C4' energy: -20.166
flat angles C4'-P-C4' energy: -17.678
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -18.518
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -229.246984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.246984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.913999 (E_RNA)
where:
Base-Base interactions energy: -140.782
where: short stacking energy: -70.098
Base-Backbone interact. energy: -0.899
local terms energy: -89.233043
where:
bonds (distance) C4'-P energy: -11.708
bonds (distance) P-C4' energy: -24.272
flat angles C4'-P-C4' energy: -23.462
flat angles P-C4'-P energy: -12.355
tors. eta vs tors. theta energy: -17.437
Dist. restrs. and SS energy: 1.667 (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: 6
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -211.399412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.399412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.461066 (E_RNA)
where:
Base-Base interactions energy: -128.719
where: short stacking energy: -63.582
Base-Backbone interact. energy: -0.304
local terms energy: -82.437938
where:
bonds (distance) C4'-P energy: -17.495
bonds (distance) P-C4' energy: -14.587
flat angles C4'-P-C4' energy: -21.436
flat angles P-C4'-P energy: -11.170
tors. eta vs tors. theta energy: -17.749
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -194.821315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.821315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.053363 (E_RNA)
where:
Base-Base interactions energy: -109.554
where: short stacking energy: -49.196
Base-Backbone interact. energy: -0.782
local terms energy: -84.717803
where:
bonds (distance) C4'-P energy: -22.733
bonds (distance) P-C4' energy: -19.679
flat angles C4'-P-C4' energy: -21.102
flat angles P-C4'-P energy: -17.045
tors. eta vs tors. theta energy: -4.159
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: 10, replica: 7
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -198.016560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.016560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.031494 (E_RNA)
where:
Base-Base interactions energy: -118.243
where: short stacking energy: -54.808
Base-Backbone interact. energy: 3.736
local terms energy: -83.524623
where:
bonds (distance) C4'-P energy: -14.072
bonds (distance) P-C4' energy: -23.259
flat angles C4'-P-C4' energy: -19.969
flat angles P-C4'-P energy: -15.298
tors. eta vs tors. theta energy: -10.927
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: 1, replica: 3
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -319.825737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.825737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.187385 (E_RNA)
where:
Base-Base interactions energy: -208.911
where: short stacking energy: -103.633
Base-Backbone interact. energy: -0.316
local terms energy: -110.959782
where:
bonds (distance) C4'-P energy: -20.883
bonds (distance) P-C4' energy: -22.201
flat angles C4'-P-C4' energy: -22.588
flat angles P-C4'-P energy: -15.458
tors. eta vs tors. theta energy: -29.830
Dist. restrs. and SS energy: 0.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -281.775758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.775758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.081249 (E_RNA)
where:
Base-Base interactions energy: -173.628
where: short stacking energy: -95.855
Base-Backbone interact. energy: -0.364
local terms energy: -108.089387
where:
bonds (distance) C4'-P energy: -20.990
bonds (distance) P-C4' energy: -19.014
flat angles C4'-P-C4' energy: -23.412
flat angles P-C4'-P energy: -15.639
tors. eta vs tors. theta energy: -29.033
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: 3, replica: 1
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -267.916273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.916273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.106382 (E_RNA)
where:
Base-Base interactions energy: -158.086
where: short stacking energy: -90.992
Base-Backbone interact. energy: -0.160
local terms energy: -109.860134
where:
bonds (distance) C4'-P energy: -22.373
bonds (distance) P-C4' energy: -27.023
flat angles C4'-P-C4' energy: -23.808
flat angles P-C4'-P energy: -12.791
tors. eta vs tors. theta energy: -23.866
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: 4, replica: 10
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -261.465035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.465035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.592903 (E_RNA)
where:
Base-Base interactions energy: -151.756
where: short stacking energy: -69.867
Base-Backbone interact. energy: -0.139
local terms energy: -109.697946
where:
bonds (distance) C4'-P energy: -23.458
bonds (distance) P-C4' energy: -24.674
flat angles C4'-P-C4' energy: -24.725
flat angles P-C4'-P energy: -16.749
tors. eta vs tors. theta energy: -20.091
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: 9
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -249.841320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.841320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.893162 (E_RNA)
where:
Base-Base interactions energy: -144.818
where: short stacking energy: -72.619
Base-Backbone interact. energy: -0.632
local terms energy: -104.443563
where:
bonds (distance) C4'-P energy: -23.905
bonds (distance) P-C4' energy: -24.344
flat angles C4'-P-C4' energy: -22.429
flat angles P-C4'-P energy: -18.789
tors. eta vs tors. theta energy: -14.976
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: 4
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -252.834372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.834372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.896109 (E_RNA)
where:
Base-Base interactions energy: -147.782
where: short stacking energy: -82.097
Base-Backbone interact. energy: -0.511
local terms energy: -104.603181
where:
bonds (distance) C4'-P energy: -20.364
bonds (distance) P-C4' energy: -21.530
flat angles C4'-P-C4' energy: -22.684
flat angles P-C4'-P energy: -12.892
tors. eta vs tors. theta energy: -27.134
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: 8
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -236.366473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.366473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.532534 (E_RNA)
where:
Base-Base interactions energy: -143.816
where: short stacking energy: -72.168
Base-Backbone interact. energy: -0.137
local terms energy: -92.580353
where:
bonds (distance) C4'-P energy: -22.140
bonds (distance) P-C4' energy: -18.105
flat angles C4'-P-C4' energy: -19.437
flat angles P-C4'-P energy: -15.217
tors. eta vs tors. theta energy: -17.681
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: 8, replica: 6
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -207.923428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.923428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.994715 (E_RNA)
where:
Base-Base interactions energy: -119.638
where: short stacking energy: -47.355
Base-Backbone interact. energy: -1.012
local terms energy: -87.344451
where:
bonds (distance) C4'-P energy: -19.861
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -23.187
flat angles P-C4'-P energy: -12.611
tors. eta vs tors. theta energy: -13.852
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: 410
Temperature: 1.300000
Total energy: -204.028962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.028962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.083279 (E_RNA)
where:
Base-Base interactions energy: -124.261
where: short stacking energy: -60.353
Base-Backbone interact. energy: 0.881
local terms energy: -80.703805
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -20.760
flat angles C4'-P-C4' energy: -21.824
flat angles P-C4'-P energy: -15.496
tors. eta vs tors. theta energy: -6.922
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: 2
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -183.822353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.822353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.924456 (E_RNA)
where:
Base-Base interactions energy: -103.386
where: short stacking energy: -47.064
Base-Backbone interact. energy: -0.502
local terms energy: -80.035811
where:
bonds (distance) C4'-P energy: -21.677
bonds (distance) P-C4' energy: -16.165
flat angles C4'-P-C4' energy: -20.724
flat angles P-C4'-P energy: -12.004
tors. eta vs tors. theta energy: -9.466
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -331.447858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.447858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.655615 (E_RNA)
where:
Base-Base interactions energy: -206.815
where: short stacking energy: -111.174
Base-Backbone interact. energy: -0.894
local terms energy: -125.946529
where:
bonds (distance) C4'-P energy: -24.632
bonds (distance) P-C4' energy: -23.824
flat angles C4'-P-C4' energy: -24.109
flat angles P-C4'-P energy: -17.339
tors. eta vs tors. theta energy: -36.042
Dist. restrs. and SS energy: 2.208 (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: 5
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -262.487534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.487534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.516025 (E_RNA)
where:
Base-Base interactions energy: -167.237
where: short stacking energy: -89.497
Base-Backbone interact. energy: -0.059
local terms energy: -95.220489
where:
bonds (distance) C4'-P energy: -13.086
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -22.397
flat angles P-C4'-P energy: -16.101
tors. eta vs tors. theta energy: -25.924
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: 3, replica: 1
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -262.956883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.956883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.130930 (E_RNA)
where:
Base-Base interactions energy: -153.195
where: short stacking energy: -80.813
Base-Backbone interact. energy: -0.134
local terms energy: -109.801872
where:
bonds (distance) C4'-P energy: -17.303
bonds (distance) P-C4' energy: -26.858
flat angles C4'-P-C4' energy: -23.566
flat angles P-C4'-P energy: -17.097
tors. eta vs tors. theta energy: -24.978
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: 4, replica: 9
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -259.247550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.247550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.106122 (E_RNA)
where:
Base-Base interactions energy: -155.131
where: short stacking energy: -75.742
Base-Backbone interact. energy: -0.111
local terms energy: -104.864467
where:
bonds (distance) C4'-P energy: -23.822
bonds (distance) P-C4' energy: -20.756
flat angles C4'-P-C4' energy: -23.139
flat angles P-C4'-P energy: -15.943
tors. eta vs tors. theta energy: -21.204
Dist. restrs. and SS energy: 0.859 (S_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: 411
Temperature: 1.100000
Total energy: -276.967352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.967352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.027650 (E_RNA)
where:
Base-Base interactions energy: -171.802
where: short stacking energy: -104.608
Base-Backbone interact. energy: -0.042
local terms energy: -105.183739
where:
bonds (distance) C4'-P energy: -20.681
bonds (distance) P-C4' energy: -22.039
flat angles C4'-P-C4' energy: -22.142
flat angles P-C4'-P energy: -12.972
tors. eta vs tors. theta energy: -27.350
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: 4
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -255.151417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.151417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.151417 (E_RNA)
where:
Base-Base interactions energy: -151.898
where: short stacking energy: -87.535
Base-Backbone interact. energy: -0.023
local terms energy: -103.230103
where:
bonds (distance) C4'-P energy: -19.475
bonds (distance) P-C4' energy: -25.271
flat angles C4'-P-C4' energy: -23.366
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -23.192
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -225.214046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.214046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.306253 (E_RNA)
where:
Base-Base interactions energy: -142.650
where: short stacking energy: -70.969
Base-Backbone interact. energy: -0.268
local terms energy: -82.387569
where:
bonds (distance) C4'-P energy: -14.680
bonds (distance) P-C4' energy: -20.645
flat angles C4'-P-C4' energy: -23.085
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -13.995
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: 411
Temperature: 1.250000
Total energy: -204.311083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.311083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.346461 (E_RNA)
where:
Base-Base interactions energy: -119.798
where: short stacking energy: -56.201
Base-Backbone interact. energy: -0.281
local terms energy: -84.267829
where:
bonds (distance) C4'-P energy: -17.562
bonds (distance) P-C4' energy: -19.754
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -17.670
tors. eta vs tors. theta energy: -12.423
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: 6
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -202.674796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.674796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.778408 (E_RNA)
where:
Base-Base interactions energy: -116.223
where: short stacking energy: -53.605
Base-Backbone interact. energy: -0.933
local terms energy: -85.622428
where:
bonds (distance) C4'-P energy: -21.838
bonds (distance) P-C4' energy: -23.208
flat angles C4'-P-C4' energy: -21.914
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -10.047
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: 2
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -202.177450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.177450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.388600 (E_RNA)
where:
Base-Base interactions energy: -129.566
where: short stacking energy: -64.912
Base-Backbone interact. energy: 0.085
local terms energy: -72.907190
where:
bonds (distance) C4'-P energy: -18.054
bonds (distance) P-C4' energy: -16.925
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -9.651
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: 1, replica: 3
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -325.344740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.344740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.418548 (E_RNA)
where:
Base-Base interactions energy: -206.743
where: short stacking energy: -110.431
Base-Backbone interact. energy: -1.220
local terms energy: -118.456131
where:
bonds (distance) C4'-P energy: -20.238
bonds (distance) P-C4' energy: -24.371
flat angles C4'-P-C4' energy: -27.973
flat angles P-C4'-P energy: -13.092
tors. eta vs tors. theta energy: -32.782
Dist. restrs. and SS energy: 1.074 (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: 5
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -279.361593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.361593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.367819 (E_RNA)
where:
Base-Base interactions energy: -172.710
where: short stacking energy: -92.355
Base-Backbone interact. energy: -1.077
local terms energy: -105.580856
where:
bonds (distance) C4'-P energy: -21.232
bonds (distance) P-C4' energy: -23.923
flat angles C4'-P-C4' energy: -22.206
flat angles P-C4'-P energy: -14.686
tors. eta vs tors. theta energy: -23.533
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: 412
Temperature: 1.000000
Total energy: -265.246953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.246953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.513532 (E_RNA)
where:
Base-Base interactions energy: -165.385
where: short stacking energy: -82.411
Base-Backbone interact. energy: -0.102
local terms energy: -100.026339
where:
bonds (distance) C4'-P energy: -21.702
bonds (distance) P-C4' energy: -23.159
flat angles C4'-P-C4' energy: -18.163
flat angles P-C4'-P energy: -13.533
tors. eta vs tors. theta energy: -23.470
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: 1
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -255.331373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.331373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.492913 (E_RNA)
where:
Base-Base interactions energy: -162.939
where: short stacking energy: -87.587
Base-Backbone interact. energy: -0.152
local terms energy: -92.402781
where:
bonds (distance) C4'-P energy: -21.879
bonds (distance) P-C4' energy: -22.831
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -22.697
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: 4
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -241.154529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.154529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.499686 (E_RNA)
where:
Base-Base interactions energy: -138.718
where: short stacking energy: -82.568
Base-Backbone interact. energy: -0.004
local terms energy: -102.777302
where:
bonds (distance) C4'-P energy: -18.281
bonds (distance) P-C4' energy: -25.614
flat angles C4'-P-C4' energy: -23.289
flat angles P-C4'-P energy: -13.907
tors. eta vs tors. theta energy: -21.687
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: 10
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -241.941389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.941389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.201907 (E_RNA)
where:
Base-Base interactions energy: -150.542
where: short stacking energy: -83.770
Base-Backbone interact. energy: -0.293
local terms energy: -91.366467
where:
bonds (distance) C4'-P energy: -17.525
bonds (distance) P-C4' energy: -20.015
flat angles C4'-P-C4' energy: -22.021
flat angles P-C4'-P energy: -17.822
tors. eta vs tors. theta energy: -13.984
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: 7
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -241.734562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.734562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.744641 (E_RNA)
where:
Base-Base interactions energy: -148.624
where: short stacking energy: -77.586
Base-Backbone interact. energy: -1.261
local terms energy: -91.859782
where:
bonds (distance) C4'-P energy: -23.106
bonds (distance) P-C4' energy: -21.636
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -14.803
tors. eta vs tors. theta energy: -17.827
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: 8, replica: 8
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -215.588624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.588624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.810664 (E_RNA)
where:
Base-Base interactions energy: -136.949
where: short stacking energy: -65.019
Base-Backbone interact. energy: -0.847
local terms energy: -78.015441
where:
bonds (distance) C4'-P energy: -22.464
bonds (distance) P-C4' energy: -21.639
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -9.392
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: 2
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -210.393516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.393516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.819684 (E_RNA)
where:
Base-Base interactions energy: -125.333
where: short stacking energy: -57.594
Base-Backbone interact. energy: -0.128
local terms energy: -85.359429
where:
bonds (distance) C4'-P energy: -19.899
bonds (distance) P-C4' energy: -22.641
flat angles C4'-P-C4' energy: -17.233
flat angles P-C4'-P energy: -14.135
tors. eta vs tors. theta energy: -11.451
Dist. restrs. and SS energy: 0.426 (S_DIST_RNA)
chem. 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: -194.418478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.418478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.912414 (E_RNA)
where:
Base-Base interactions energy: -112.780
where: short stacking energy: -58.702
Base-Backbone interact. energy: -0.355
local terms energy: -81.778002
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -22.447
flat angles C4'-P-C4' energy: -19.788
flat angles P-C4'-P energy: -15.521
tors. eta vs tors. theta energy: -8.214
Dist. restrs. and SS energy: 0.494 (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: 3
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -333.005622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.005622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.563366 (E_RNA)
where:
Base-Base interactions energy: -211.495
where: short stacking energy: -110.055
Base-Backbone interact. energy: -1.638
local terms energy: -121.429762
where:
bonds (distance) C4'-P energy: -21.831
bonds (distance) P-C4' energy: -21.953
flat angles C4'-P-C4' energy: -23.964
flat angles P-C4'-P energy: -19.887
tors. eta vs tors. theta energy: -33.795
Dist. restrs. and SS energy: 1.558 (S_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: 413
Temperature: 0.950000
Total energy: -282.709511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.709511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.709511 (E_RNA)
where:
Base-Base interactions energy: -165.725
where: short stacking energy: -97.207
Base-Backbone interact. energy: -0.281
local terms energy: -116.703313
where:
bonds (distance) C4'-P energy: -21.593
bonds (distance) P-C4' energy: -22.607
flat angles C4'-P-C4' energy: -25.235
flat angles P-C4'-P energy: -16.761
tors. eta vs tors. theta energy: -30.507
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -257.070359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.070359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.673440 (E_RNA)
where:
Base-Base interactions energy: -161.535
where: short stacking energy: -85.186
Base-Backbone interact. energy: -0.434
local terms energy: -96.704315
where:
bonds (distance) C4'-P energy: -18.356
bonds (distance) P-C4' energy: -24.231
flat angles C4'-P-C4' energy: -20.139
flat angles P-C4'-P energy: -16.334
tors. eta vs tors. theta energy: -17.644
Dist. restrs. and SS energy: 1.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -261.145035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.145035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.215951 (E_RNA)
where:
Base-Base interactions energy: -161.459
where: short stacking energy: -86.297
Base-Backbone interact. energy: -0.036
local terms energy: -99.720436
where:
bonds (distance) C4'-P energy: -21.143
bonds (distance) P-C4' energy: -23.074
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -14.926
tors. eta vs tors. theta energy: -24.066
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: 4
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -232.957868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.957868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.962954 (E_RNA)
where:
Base-Base interactions energy: -148.622
where: short stacking energy: -74.573
Base-Backbone interact. energy: -0.123
local terms energy: -84.217880
where:
bonds (distance) C4'-P energy: -20.684
bonds (distance) P-C4' energy: -14.913
flat angles C4'-P-C4' energy: -18.945
flat angles P-C4'-P energy: -13.325
tors. eta vs tors. theta energy: -16.350
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: 7
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -245.109089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.109089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.740011 (E_RNA)
where:
Base-Base interactions energy: -154.146
where: short stacking energy: -79.065
Base-Backbone interact. energy: -0.259
local terms energy: -91.334842
where:
bonds (distance) C4'-P energy: -21.160
bonds (distance) P-C4' energy: -20.282
flat angles C4'-P-C4' energy: -22.302
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -17.347
Dist. restrs. and SS energy: 0.631 (S_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: 413
Temperature: 1.200000
Total energy: -224.477378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.477378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.778595 (E_RNA)
where:
Base-Base interactions energy: -135.983
where: short stacking energy: -65.614
Base-Backbone interact. energy: -0.355
local terms energy: -88.440024
where:
bonds (distance) C4'-P energy: -19.728
bonds (distance) P-C4' energy: -20.649
flat angles C4'-P-C4' energy: -20.378
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -17.978
Dist. restrs. and SS energy: 0.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -199.590059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.590059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.780762 (E_RNA)
where:
Base-Base interactions energy: -121.764
where: short stacking energy: -64.563
Base-Backbone interact. energy: -0.917
local terms energy: -77.099650
where:
bonds (distance) C4'-P energy: -14.324
bonds (distance) P-C4' energy: -21.091
flat angles C4'-P-C4' energy: -18.380
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -12.512
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: 9, replica: 8
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -215.250385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.250385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.321622 (E_RNA)
where:
Base-Base interactions energy: -135.326
where: short stacking energy: -71.558
Base-Backbone interact. energy: -0.162
local terms energy: -79.833398
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -20.511
flat angles P-C4'-P energy: -16.243
tors. eta vs tors. theta energy: -13.249
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: 10, replica: 6
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -217.128390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.128390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.734841 (E_RNA)
where:
Base-Base interactions energy: -130.365
where: short stacking energy: -67.967
Base-Backbone interact. energy: -0.369
local terms energy: -88.000295
where:
bonds (distance) C4'-P energy: -20.211
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -21.753
flat angles P-C4'-P energy: -14.705
tors. eta vs tors. theta energy: -14.343
Dist. restrs. and SS energy: 1.606 (S_DIST_RNA)
chem. 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: -326.533935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.533935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.198573 (E_RNA)
where:
Base-Base interactions energy: -210.838
where: short stacking energy: -110.735
Base-Backbone interact. energy: -0.491
local terms energy: -116.869037
where:
bonds (distance) C4'-P energy: -17.260
bonds (distance) P-C4' energy: -21.240
flat angles C4'-P-C4' energy: -27.344
flat angles P-C4'-P energy: -18.602
tors. eta vs tors. theta energy: -32.423
Dist. restrs. and SS energy: 1.665 (S_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: 414
Temperature: 0.950000
Total energy: -291.934512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.934512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.020702 (E_RNA)
where:
Base-Base interactions energy: -176.581
where: short stacking energy: -100.096
Base-Backbone interact. energy: -0.297
local terms energy: -115.143209
where:
bonds (distance) C4'-P energy: -19.376
bonds (distance) P-C4' energy: -23.654
flat angles C4'-P-C4' energy: -24.886
flat angles P-C4'-P energy: -12.840
tors. eta vs tors. theta energy: -34.387
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: 9
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -247.530631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.530631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.542902 (E_RNA)
where:
Base-Base interactions energy: -150.652
where: short stacking energy: -83.584
Base-Backbone interact. energy: -0.229
local terms energy: -96.661078
where:
bonds (distance) C4'-P energy: -14.333
bonds (distance) P-C4' energy: -22.960
flat angles C4'-P-C4' energy: -22.795
flat angles P-C4'-P energy: -16.810
tors. eta vs tors. theta energy: -19.763
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: 1
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -281.413301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.413301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.694005 (E_RNA)
where:
Base-Base interactions energy: -171.696
where: short stacking energy: -93.794
Base-Backbone interact. energy: -0.002
local terms energy: -109.995635
where:
bonds (distance) C4'-P energy: -17.132
bonds (distance) P-C4' energy: -23.909
flat angles C4'-P-C4' energy: -20.258
flat angles P-C4'-P energy: -17.893
tors. eta vs tors. theta energy: -30.804
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: 5, replica: 4
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -254.825679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.825679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.885870 (E_RNA)
where:
Base-Base interactions energy: -162.059
where: short stacking energy: -87.486
Base-Backbone interact. energy: -0.090
local terms energy: -92.737495
where:
bonds (distance) C4'-P energy: -22.874
bonds (distance) P-C4' energy: -19.529
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -11.740
tors. eta vs tors. theta energy: -22.924
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: 6, replica: 7
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -233.524574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.524574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.588017 (E_RNA)
where:
Base-Base interactions energy: -137.193
where: short stacking energy: -71.555
Base-Backbone interact. energy: -0.218
local terms energy: -96.176491
where:
bonds (distance) C4'-P energy: -22.118
bonds (distance) P-C4' energy: -16.359
flat angles C4'-P-C4' energy: -24.091
flat angles P-C4'-P energy: -15.029
tors. eta vs tors. theta energy: -18.579
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: 2
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -249.613481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.613481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.775232 (E_RNA)
where:
Base-Base interactions energy: -148.882
where: short stacking energy: -80.387
Base-Backbone interact. energy: 0.720
local terms energy: -101.613136
where:
bonds (distance) C4'-P energy: -18.262
bonds (distance) P-C4' energy: -23.462
flat angles C4'-P-C4' energy: -22.501
flat angles P-C4'-P energy: -14.533
tors. eta vs tors. theta energy: -22.855
Dist. restrs. and SS energy: 0.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -227.498956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.498956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.228285 (E_RNA)
where:
Base-Base interactions energy: -142.469
where: short stacking energy: -68.840
Base-Backbone interact. energy: -0.172
local terms energy: -86.586618
where:
bonds (distance) C4'-P energy: -20.401
bonds (distance) P-C4' energy: -19.155
flat angles C4'-P-C4' energy: -23.231
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -12.721
Dist. restrs. and SS energy: 1.729 (S_DIST_RNA)
chem. 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: -212.835675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.835675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.072054 (E_RNA)
where:
Base-Base interactions energy: -122.257
where: short stacking energy: -61.749
Base-Backbone interact. energy: 0.721
local terms energy: -91.536100
where:
bonds (distance) C4'-P energy: -19.807
bonds (distance) P-C4' energy: -23.459
flat angles C4'-P-C4' energy: -18.560
flat angles P-C4'-P energy: -13.384
tors. eta vs tors. theta energy: -16.326
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: 10, replica: 8
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -209.390375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.390375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.556205 (E_RNA)
where:
Base-Base interactions energy: -131.391
where: short stacking energy: -65.739
Base-Backbone interact. energy: -0.317
local terms energy: -77.847767
where:
bonds (distance) C4'-P energy: -19.479
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -23.793
flat angles P-C4'-P energy: -3.752
tors. eta vs tors. theta energy: -14.344
Dist. restrs. and SS energy: 0.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -318.602408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.602408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.225227 (E_RNA)
where:
Base-Base interactions energy: -211.948
where: short stacking energy: -96.213
Base-Backbone interact. energy: -1.037
local terms energy: -108.241117
where:
bonds (distance) C4'-P energy: -23.209
bonds (distance) P-C4' energy: -19.179
flat angles C4'-P-C4' energy: -24.241
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -28.991
Dist. restrs. and SS energy: 2.623 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -291.593674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.593674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.626548 (E_RNA)
where:
Base-Base interactions energy: -191.697
where: short stacking energy: -110.048
Base-Backbone interact. energy: -0.001
local terms energy: -99.927796
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -20.256
flat angles C4'-P-C4' energy: -24.294
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -28.716
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: 415
Temperature: 1.000000
Total energy: -283.802553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.802553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.802553 (E_RNA)
where:
Base-Base interactions energy: -174.396
where: short stacking energy: -98.319
Base-Backbone interact. energy: -0.031
local terms energy: -109.376341
where:
bonds (distance) C4'-P energy: -20.318
bonds (distance) P-C4' energy: -24.038
flat angles C4'-P-C4' energy: -22.191
flat angles P-C4'-P energy: -17.475
tors. eta vs tors. theta energy: -25.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -258.031637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.031637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.088021 (E_RNA)
where:
Base-Base interactions energy: -161.644
where: short stacking energy: -83.306
Base-Backbone interact. energy: -0.406
local terms energy: -96.038294
where:
bonds (distance) C4'-P energy: -19.039
bonds (distance) P-C4' energy: -21.861
flat angles C4'-P-C4' energy: -20.400
flat angles P-C4'-P energy: -14.648
tors. eta vs tors. theta energy: -20.089
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: 1
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -265.068965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.068965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.095695 (E_RNA)
where:
Base-Base interactions energy: -162.478
where: short stacking energy: -96.549
Base-Backbone interact. energy: -0.004
local terms energy: -102.613686
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -18.935
flat angles C4'-P-C4' energy: -25.751
flat angles P-C4'-P energy: -15.556
tors. eta vs tors. theta energy: -26.641
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -241.616133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.616133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.454625 (E_RNA)
where:
Base-Base interactions energy: -153.784
where: short stacking energy: -82.282
Base-Backbone interact. energy: 0.221
local terms energy: -88.891763
where:
bonds (distance) C4'-P energy: -22.455
bonds (distance) P-C4' energy: -20.548
flat angles C4'-P-C4' energy: -18.776
flat angles P-C4'-P energy: -12.843
tors. eta vs tors. theta energy: -14.271
Dist. restrs. and SS energy: 0.838 (S_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: 415
Temperature: 1.200000
Total energy: -226.044166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.044166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.191179 (E_RNA)
where:
Base-Base interactions energy: -137.274
where: short stacking energy: -79.649
Base-Backbone interact. energy: -0.256
local terms energy: -88.661062
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -22.418
flat angles C4'-P-C4' energy: -20.493
flat angles P-C4'-P energy: -16.815
tors. eta vs tors. theta energy: -15.355
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: 6
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -213.347256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.347256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.439773 (E_RNA)
where:
Base-Base interactions energy: -124.890
where: short stacking energy: -59.571
Base-Backbone interact. energy: -0.159
local terms energy: -88.390291
where:
bonds (distance) C4'-P energy: -23.733
bonds (distance) P-C4' energy: -15.813
flat angles C4'-P-C4' energy: -20.844
flat angles P-C4'-P energy: -15.386
tors. eta vs tors. theta energy: -12.615
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: 415
Temperature: 1.300000
Total energy: -222.221486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.221486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.752297 (E_RNA)
where:
Base-Base interactions energy: -138.446
where: short stacking energy: -64.085
Base-Backbone interact. energy: -0.195
local terms energy: -85.111838
where:
bonds (distance) C4'-P energy: -21.061
bonds (distance) P-C4' energy: -23.672
flat angles C4'-P-C4' energy: -19.468
flat angles P-C4'-P energy: -6.901
tors. eta vs tors. theta energy: -14.011
Dist. restrs. and SS energy: 1.531 (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: 415
Temperature: 1.350000
Total energy: -194.222678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.222678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.254315 (E_RNA)
where:
Base-Base interactions energy: -120.094
where: short stacking energy: -58.583
Base-Backbone interact. energy: -0.188
local terms energy: -73.972690
where:
bonds (distance) C4'-P energy: -18.224
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -14.754
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: 416
Temperature: 0.900000
Total energy: -297.462292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.462292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.469722 (E_RNA)
where:
Base-Base interactions energy: -182.115
where: short stacking energy: -103.328
Base-Backbone interact. energy: -0.120
local terms energy: -115.234790
where:
bonds (distance) C4'-P energy: -23.723
bonds (distance) P-C4' energy: -25.473
flat angles C4'-P-C4' energy: -22.381
flat angles P-C4'-P energy: -16.228
tors. eta vs tors. theta energy: -27.431
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -308.487390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.487390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.189810 (E_RNA)
where:
Base-Base interactions energy: -194.459
where: short stacking energy: -94.717
Base-Backbone interact. energy: 0.015
local terms energy: -114.746517
where:
bonds (distance) C4'-P energy: -23.958
bonds (distance) P-C4' energy: -24.140
flat angles C4'-P-C4' energy: -24.833
flat angles P-C4'-P energy: -16.904
tors. eta vs tors. theta energy: -24.912
Dist. restrs. and SS energy: 0.702 (S_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: 416
Temperature: 1.000000
Total energy: -301.337062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.337062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.363529 (E_RNA)
where:
Base-Base interactions energy: -188.282
where: short stacking energy: -113.640
Base-Backbone interact. energy: -0.048
local terms energy: -113.033327
where:
bonds (distance) C4'-P energy: -14.328
bonds (distance) P-C4' energy: -23.714
flat angles C4'-P-C4' energy: -25.272
flat angles P-C4'-P energy: -16.196
tors. eta vs tors. theta energy: -33.524
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: 416
Temperature: 1.050000
Total energy: -248.130046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.130046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.130046 (E_RNA)
where:
Base-Base interactions energy: -147.954
where: short stacking energy: -82.261
Base-Backbone interact. energy: -0.189
local terms energy: -99.986926
where:
bonds (distance) C4'-P energy: -20.485
bonds (distance) P-C4' energy: -19.738
flat angles C4'-P-C4' energy: -22.376
flat angles P-C4'-P energy: -17.160
tors. eta vs tors. theta energy: -20.229
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -227.309736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.309736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.309736 (E_RNA)
where:
Base-Base interactions energy: -137.721
where: short stacking energy: -68.223
Base-Backbone interact. energy: -0.227
local terms energy: -89.362318
where:
bonds (distance) C4'-P energy: -19.599
bonds (distance) P-C4' energy: -23.010
flat angles C4'-P-C4' energy: -18.152
flat angles P-C4'-P energy: -14.383
tors. eta vs tors. theta energy: -14.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -232.302581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.302581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.643021 (E_RNA)
where:
Base-Base interactions energy: -139.609
where: short stacking energy: -71.433
Base-Backbone interact. energy: -0.199
local terms energy: -92.835755
where:
bonds (distance) C4'-P energy: -18.532
bonds (distance) P-C4' energy: -23.734
flat angles C4'-P-C4' energy: -21.823
flat angles P-C4'-P energy: -15.330
tors. eta vs tors. theta energy: -13.417
Dist. restrs. and SS energy: 0.340 (S_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: 416
Temperature: 1.200000
Total energy: -245.327246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.327246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.945901 (E_RNA)
where:
Base-Base interactions energy: -150.096
where: short stacking energy: -81.218
Base-Backbone interact. energy: -0.201
local terms energy: -96.648534
where:
bonds (distance) C4'-P energy: -18.828
bonds (distance) P-C4' energy: -20.227
flat angles C4'-P-C4' energy: -23.037
flat angles P-C4'-P energy: -12.792
tors. eta vs tors. theta energy: -21.765
Dist. restrs. and SS energy: 1.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -229.978084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.978084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.059671 (E_RNA)
where:
Base-Base interactions energy: -141.721
where: short stacking energy: -71.109
Base-Backbone interact. energy: 0.552
local terms energy: -88.890680
where:
bonds (distance) C4'-P energy: -20.512
bonds (distance) P-C4' energy: -21.528
flat angles C4'-P-C4' energy: -20.174
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -16.044
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: 10
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -211.113157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.113157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.450642 (E_RNA)
where:
Base-Base interactions energy: -124.169
where: short stacking energy: -52.916
Base-Backbone interact. energy: 0.879
local terms energy: -88.160661
where:
bonds (distance) C4'-P energy: -17.145
bonds (distance) P-C4' energy: -17.639
flat angles C4'-P-C4' energy: -22.092
flat angles P-C4'-P energy: -18.824
tors. eta vs tors. theta energy: -12.460
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: 10, replica: 8
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -193.066733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.066733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.133339 (E_RNA)
where:
Base-Base interactions energy: -118.199
where: short stacking energy: -59.888
Base-Backbone interact. energy: -0.258
local terms energy: -74.676607
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -19.604
flat angles C4'-P-C4' energy: -17.087
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -13.496
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -323.168967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.168967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.221291 (E_RNA)
where:
Base-Base interactions energy: -192.242
where: short stacking energy: -112.724
Base-Backbone interact. energy: -0.004
local terms energy: -130.975220
where:
bonds (distance) C4'-P energy: -26.032
bonds (distance) P-C4' energy: -25.255
flat angles C4'-P-C4' energy: -28.807
flat angles P-C4'-P energy: -19.765
tors. eta vs tors. theta energy: -31.117
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: 3
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -303.927673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.927673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.074114 (E_RNA)
where:
Base-Base interactions energy: -209.125
where: short stacking energy: -94.892
Base-Backbone interact. energy: -0.804
local terms energy: -94.144779
where:
bonds (distance) C4'-P energy: -18.477
bonds (distance) P-C4' energy: -16.880
flat angles C4'-P-C4' energy: -17.528
flat angles P-C4'-P energy: -15.397
tors. eta vs tors. theta energy: -25.863
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: 9
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -280.435859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.435859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.518173 (E_RNA)
where:
Base-Base interactions energy: -177.820
where: short stacking energy: -113.545
Base-Backbone interact. energy: -0.030
local terms energy: -102.667900
where:
bonds (distance) C4'-P energy: -20.138
bonds (distance) P-C4' energy: -12.378
flat angles C4'-P-C4' energy: -24.573
flat angles P-C4'-P energy: -16.281
tors. eta vs tors. theta energy: -29.299
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -236.163766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.163766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.391092 (E_RNA)
where:
Base-Base interactions energy: -141.137
where: short stacking energy: -80.641
Base-Backbone interact. energy: -0.181
local terms energy: -95.073258
where:
bonds (distance) C4'-P energy: -22.924
bonds (distance) P-C4' energy: -23.067
flat angles C4'-P-C4' energy: -20.761
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -17.783
Dist. restrs. and SS energy: 0.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -240.584779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.584779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.704045 (E_RNA)
where:
Base-Base interactions energy: -149.588
where: short stacking energy: -86.417
Base-Backbone interact. energy: -0.234
local terms energy: -90.882141
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -23.660
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -23.717
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: 7
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -244.412625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.412625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.733059 (E_RNA)
where:
Base-Base interactions energy: -144.510
where: short stacking energy: -68.502
Base-Backbone interact. energy: 0.472
local terms energy: -101.694941
where:
bonds (distance) C4'-P energy: -24.256
bonds (distance) P-C4' energy: -22.241
flat angles C4'-P-C4' energy: -25.234
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -17.988
Dist. restrs. and SS energy: 1.320 (S_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: 417
Temperature: 1.200000
Total energy: -218.393924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.393924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.379224 (E_RNA)
where:
Base-Base interactions energy: -143.317
where: short stacking energy: -73.198
Base-Backbone interact. energy: 0.445
local terms energy: -77.507817
where:
bonds (distance) C4'-P energy: -20.837
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -19.744
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -11.451
Dist. restrs. and SS energy: 1.985 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -231.200083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.200083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.240150 (E_RNA)
where:
Base-Base interactions energy: -139.548
where: short stacking energy: -74.014
Base-Backbone interact. energy: -0.175
local terms energy: -91.517008
where:
bonds (distance) C4'-P energy: -20.674
bonds (distance) P-C4' energy: -21.748
flat angles C4'-P-C4' energy: -19.459
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -18.378
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -223.457803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.457803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.498963 (E_RNA)
where:
Base-Base interactions energy: -147.498
where: short stacking energy: -62.827
Base-Backbone interact. energy: -0.611
local terms energy: -75.389943
where:
bonds (distance) C4'-P energy: -19.476
bonds (distance) P-C4' energy: -19.768
flat angles C4'-P-C4' energy: -8.546
flat angles P-C4'-P energy: -14.146
tors. eta vs tors. theta energy: -13.454
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: 8
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -200.596960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.596960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.723612 (E_RNA)
where:
Base-Base interactions energy: -115.133
where: short stacking energy: -56.883
Base-Backbone interact. energy: -0.117
local terms energy: -85.473133
where:
bonds (distance) C4'-P energy: -19.012
bonds (distance) P-C4' energy: -22.990
flat angles C4'-P-C4' energy: -17.343
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -17.656
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: 1, replica: 3
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -295.516255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.516255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.351516 (E_RNA)
where:
Base-Base interactions energy: -193.702
where: short stacking energy: -83.583
Base-Backbone interact. energy: -0.594
local terms energy: -102.055481
where:
bonds (distance) C4'-P energy: -19.583
bonds (distance) P-C4' energy: -23.037
flat angles C4'-P-C4' energy: -21.876
flat angles P-C4'-P energy: -14.385
tors. eta vs tors. theta energy: -23.174
Dist. restrs. and SS energy: 0.835 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -291.325701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.325701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.638322 (E_RNA)
where:
Base-Base interactions energy: -180.131
where: short stacking energy: -99.621
Base-Backbone interact. energy: -1.128
local terms energy: -111.378704
where:
bonds (distance) C4'-P energy: -23.164
bonds (distance) P-C4' energy: -20.125
flat angles C4'-P-C4' energy: -22.745
flat angles P-C4'-P energy: -14.440
tors. eta vs tors. theta energy: -30.905
Dist. restrs. and SS energy: 1.313 (S_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: 418
Temperature: 1.000000
Total energy: -286.632827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.632827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.249764 (E_RNA)
where:
Base-Base interactions energy: -171.848
where: short stacking energy: -101.557
Base-Backbone interact. energy: -0.081
local terms energy: -115.321004
where:
bonds (distance) C4'-P energy: -17.802
bonds (distance) P-C4' energy: -22.828
flat angles C4'-P-C4' energy: -25.052
flat angles P-C4'-P energy: -17.948
tors. eta vs tors. theta energy: -31.692
Dist. restrs. and SS energy: 0.617 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -262.431888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.431888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.799276 (E_RNA)
where:
Base-Base interactions energy: -167.135
where: short stacking energy: -90.751
Base-Backbone interact. energy: -0.119
local terms energy: -96.544974
where:
bonds (distance) C4'-P energy: -23.506
bonds (distance) P-C4' energy: -11.229
flat angles C4'-P-C4' energy: -20.546
flat angles P-C4'-P energy: -13.733
tors. eta vs tors. theta energy: -27.531
Dist. restrs. and SS energy: 1.367 (S_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: 418
Temperature: 1.100000
Total energy: -279.084165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.084165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.202451 (E_RNA)
where:
Base-Base interactions energy: -173.510
where: short stacking energy: -103.442
Base-Backbone interact. energy: 1.466
local terms energy: -107.158866
where:
bonds (distance) C4'-P energy: -21.288
bonds (distance) P-C4' energy: -21.853
flat angles C4'-P-C4' energy: -20.553
flat angles P-C4'-P energy: -13.904
tors. eta vs tors. theta energy: -29.562
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: 4
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -234.721542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.721542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.352592 (E_RNA)
where:
Base-Base interactions energy: -142.367
where: short stacking energy: -73.778
Base-Backbone interact. energy: -0.038
local terms energy: -94.947787
where:
bonds (distance) C4'-P energy: -18.130
bonds (distance) P-C4' energy: -22.289
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -17.097
tors. eta vs tors. theta energy: -23.901
Dist. restrs. and SS energy: 2.631 (S_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: 418
Temperature: 1.200000
Total energy: -235.005494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.005494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.129383 (E_RNA)
where:
Base-Base interactions energy: -149.806
where: short stacking energy: -84.271
Base-Backbone interact. energy: -0.042
local terms energy: -85.281295
where:
bonds (distance) C4'-P energy: -18.408
bonds (distance) P-C4' energy: -19.774
flat angles C4'-P-C4' energy: -19.976
flat angles P-C4'-P energy: -4.855
tors. eta vs tors. theta energy: -22.269
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: 418
Temperature: 1.250000
Total energy: -218.984841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.984841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.086624 (E_RNA)
where:
Base-Base interactions energy: -127.089
where: short stacking energy: -60.261
Base-Backbone interact. energy: -0.556
local terms energy: -91.441000
where:
bonds (distance) C4'-P energy: -22.328
bonds (distance) P-C4' energy: -24.618
flat angles C4'-P-C4' energy: -19.095
flat angles P-C4'-P energy: -12.782
tors. eta vs tors. theta energy: -12.617
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: 8
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -224.617028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.617028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.638928 (E_RNA)
where:
Base-Base interactions energy: -142.243
where: short stacking energy: -67.708
Base-Backbone interact. energy: -0.116
local terms energy: -82.279830
where:
bonds (distance) C4'-P energy: -21.314
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -12.331
tors. eta vs tors. theta energy: -17.565
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: 418
Temperature: 1.350000
Total energy: -194.024035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.024035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.043626 (E_RNA)
where:
Base-Base interactions energy: -118.235
where: short stacking energy: -54.997
Base-Backbone interact. energy: -0.223
local terms energy: -75.585864
where:
bonds (distance) C4'-P energy: -11.854
bonds (distance) P-C4' energy: -19.992
flat angles C4'-P-C4' energy: -21.029
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -13.564
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: 3
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -306.314267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.314267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.314267 (E_RNA)
where:
Base-Base interactions energy: -183.544
where: short stacking energy: -106.915
Base-Backbone interact. energy: -0.285
local terms energy: -122.485593
where:
bonds (distance) C4'-P energy: -24.741
bonds (distance) P-C4' energy: -24.455
flat angles C4'-P-C4' energy: -24.573
flat angles P-C4'-P energy: -15.305
tors. eta vs tors. theta energy: -33.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -303.088572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.088572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.227244 (E_RNA)
where:
Base-Base interactions energy: -185.636
where: short stacking energy: -110.106
Base-Backbone interact. energy: -0.073
local terms energy: -117.517907
where:
bonds (distance) C4'-P energy: -25.167
bonds (distance) P-C4' energy: -22.922
flat angles C4'-P-C4' energy: -20.556
flat angles P-C4'-P energy: -16.250
tors. eta vs tors. theta energy: -32.623
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: 9
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -262.736450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.736450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.292059 (E_RNA)
where:
Base-Base interactions energy: -154.564
where: short stacking energy: -84.101
Base-Backbone interact. energy: -0.002
local terms energy: -108.726137
where:
bonds (distance) C4'-P energy: -21.605
bonds (distance) P-C4' energy: -23.076
flat angles C4'-P-C4' energy: -24.679
flat angles P-C4'-P energy: -15.069
tors. eta vs tors. theta energy: -24.297
Dist. restrs. and SS energy: 0.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -275.851842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.851842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.904217 (E_RNA)
where:
Base-Base interactions energy: -170.082
where: short stacking energy: -101.006
Base-Backbone interact. energy: -0.012
local terms energy: -105.810367
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -23.567
flat angles C4'-P-C4' energy: -27.604
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -27.440
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -237.149304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.149304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.191581 (E_RNA)
where:
Base-Base interactions energy: -137.247
where: short stacking energy: -71.815
Base-Backbone interact. energy: -0.054
local terms energy: -99.890765
where:
bonds (distance) C4'-P energy: -20.311
bonds (distance) P-C4' energy: -21.430
flat angles C4'-P-C4' energy: -22.391
flat angles P-C4'-P energy: -16.591
tors. eta vs tors. theta energy: -19.169
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: 10
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -241.685038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.685038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.766891 (E_RNA)
where:
Base-Base interactions energy: -145.812
where: short stacking energy: -80.966
Base-Backbone interact. energy: -0.183
local terms energy: -95.771997
where:
bonds (distance) C4'-P energy: -18.053
bonds (distance) P-C4' energy: -19.748
flat angles C4'-P-C4' energy: -25.402
flat angles P-C4'-P energy: -14.535
tors. eta vs tors. theta energy: -18.034
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: 4
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -236.007155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.007155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.394011 (E_RNA)
where:
Base-Base interactions energy: -139.261
where: short stacking energy: -74.024
Base-Backbone interact. energy: -0.034
local terms energy: -97.098497
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -23.080
flat angles C4'-P-C4' energy: -23.574
flat angles P-C4'-P energy: -14.727
tors. eta vs tors. theta energy: -22.769
Dist. restrs. and SS energy: 0.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -218.215564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.215564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.383615 (E_RNA)
where:
Base-Base interactions energy: -133.117
where: short stacking energy: -69.311
Base-Backbone interact. energy: -0.013
local terms energy: -85.253617
where:
bonds (distance) C4'-P energy: -19.716
bonds (distance) P-C4' energy: -20.928
flat angles C4'-P-C4' energy: -18.354
flat angles P-C4'-P energy: -11.218
tors. eta vs tors. theta energy: -15.038
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: 9, replica: 1
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -200.468232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.468232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.567807 (E_RNA)
where:
Base-Base interactions energy: -116.191
where: short stacking energy: -58.753
Base-Backbone interact. energy: -0.220
local terms energy: -84.156692
where:
bonds (distance) C4'-P energy: -23.676
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -17.458
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: 10, replica: 6
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -213.632799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.632799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.699429 (E_RNA)
where:
Base-Base interactions energy: -124.759
where: short stacking energy: -65.071
Base-Backbone interact. energy: -0.038
local terms energy: -88.902517
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -25.337
flat angles C4'-P-C4' energy: -24.419
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -15.348
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: 1, replica: 5
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -293.404799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.404799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.579945 (E_RNA)
where:
Base-Base interactions energy: -183.758
where: short stacking energy: -95.925
Base-Backbone interact. energy: -0.035
local terms energy: -109.786907
where:
bonds (distance) C4'-P energy: -21.367
bonds (distance) P-C4' energy: -20.209
flat angles C4'-P-C4' energy: -22.972
flat angles P-C4'-P energy: -18.191
tors. eta vs tors. theta energy: -27.049
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: 2, replica: 3
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -292.504185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.504185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.844006 (E_RNA)
where:
Base-Base interactions energy: -182.976
where: short stacking energy: -86.976
Base-Backbone interact. energy: -0.338
local terms energy: -109.529760
where:
bonds (distance) C4'-P energy: -19.577
bonds (distance) P-C4' energy: -17.745
flat angles C4'-P-C4' energy: -25.795
flat angles P-C4'-P energy: -16.351
tors. eta vs tors. theta energy: -30.062
Dist. restrs. and SS energy: 0.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -268.868745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.868745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.568355 (E_RNA)
where:
Base-Base interactions energy: -168.596
where: short stacking energy: -93.069
Base-Backbone interact. energy: -0.106
local terms energy: -101.866863
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -23.176
flat angles C4'-P-C4' energy: -20.381
flat angles P-C4'-P energy: -19.528
tors. eta vs tors. theta energy: -21.970
Dist. restrs. and SS energy: 1.700 (S_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: 420
Temperature: 1.050000
Total energy: -261.524766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.524766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.526915 (E_RNA)
where:
Base-Base interactions energy: -154.397
where: short stacking energy: -79.666
Base-Backbone interact. energy: -0.022
local terms energy: -107.108124
where:
bonds (distance) C4'-P energy: -22.575
bonds (distance) P-C4' energy: -25.768
flat angles C4'-P-C4' energy: -21.645
flat angles P-C4'-P energy: -16.207
tors. eta vs tors. theta energy: -20.912
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: 420
Temperature: 1.100000
Total energy: -232.564149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.564149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.576797 (E_RNA)
where:
Base-Base interactions energy: -145.520
where: short stacking energy: -73.911
Base-Backbone interact. energy: -1.449
local terms energy: -85.608479
where:
bonds (distance) C4'-P energy: -19.814
bonds (distance) P-C4' energy: -21.023
flat angles C4'-P-C4' energy: -19.912
flat angles P-C4'-P energy: -13.320
tors. eta vs tors. theta energy: -11.541
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: 2
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -246.660411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.660411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.718493 (E_RNA)
where:
Base-Base interactions energy: -154.331
where: short stacking energy: -80.829
Base-Backbone interact. energy: -0.240
local terms energy: -92.147447
where:
bonds (distance) C4'-P energy: -25.105
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -18.812
flat angles P-C4'-P energy: -14.899
tors. eta vs tors. theta energy: -20.052
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -230.280757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.280757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.307024 (E_RNA)
where:
Base-Base interactions energy: -137.789
where: short stacking energy: -77.360
Base-Backbone interact. energy: -0.368
local terms energy: -92.150372
where:
bonds (distance) C4'-P energy: -22.141
bonds (distance) P-C4' energy: -20.922
flat angles C4'-P-C4' energy: -18.032
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -20.273
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: 4
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -218.321292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.321292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.378957 (E_RNA)
where:
Base-Base interactions energy: -125.416
where: short stacking energy: -64.091
Base-Backbone interact. energy: -0.041
local terms energy: -92.921624
where:
bonds (distance) C4'-P energy: -25.491
bonds (distance) P-C4' energy: -19.842
flat angles C4'-P-C4' energy: -21.514
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -15.604
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: 1
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -208.523910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.523910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.575583 (E_RNA)
where:
Base-Base interactions energy: -118.437
where: short stacking energy: -56.666
Base-Backbone interact. energy: -0.480
local terms energy: -89.658201
where:
bonds (distance) C4'-P energy: -16.196
bonds (distance) P-C4' energy: -21.372
flat angles C4'-P-C4' energy: -21.588
flat angles P-C4'-P energy: -16.259
tors. eta vs tors. theta energy: -14.242
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: 6
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -202.207883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.207883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.228535 (E_RNA)
where:
Base-Base interactions energy: -127.911
where: short stacking energy: -56.115
Base-Backbone interact. energy: -0.131
local terms energy: -74.186160
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -22.831
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -12.842
tors. eta vs tors. theta energy: -9.072
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: 5
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -288.800569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.800569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.885551 (E_RNA)
where:
Base-Base interactions energy: -175.199
where: short stacking energy: -97.765
Base-Backbone interact. energy: 0.899
local terms energy: -114.585236
where:
bonds (distance) C4'-P energy: -22.415
bonds (distance) P-C4' energy: -24.226
flat angles C4'-P-C4' energy: -24.567
flat angles P-C4'-P energy: -13.934
tors. eta vs tors. theta energy: -29.443
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: 421
Temperature: 0.950000
Total energy: -298.306614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.306614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.867013 (E_RNA)
where:
Base-Base interactions energy: -193.461
where: short stacking energy: -98.243
Base-Backbone interact. energy: -0.785
local terms energy: -105.621630
where:
bonds (distance) C4'-P energy: -21.596
bonds (distance) P-C4' energy: -17.042
flat angles C4'-P-C4' energy: -20.721
flat angles P-C4'-P energy: -16.069
tors. eta vs tors. theta energy: -30.193
Dist. restrs. and SS energy: 1.560 (S_DIST_RNA)
chem. 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: -285.427699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.427699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.427699 (E_RNA)
where:
Base-Base interactions energy: -172.672
where: short stacking energy: -95.825
Base-Backbone interact. energy: -0.777
local terms energy: -111.978216
where:
bonds (distance) C4'-P energy: -20.948
bonds (distance) P-C4' energy: -22.537
flat angles C4'-P-C4' energy: -24.832
flat angles P-C4'-P energy: -15.858
tors. eta vs tors. theta energy: -27.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -254.680350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.680350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.680350 (E_RNA)
where:
Base-Base interactions energy: -158.772
where: short stacking energy: -91.557
Base-Backbone interact. energy: -0.152
local terms energy: -95.756328
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -21.816
flat angles C4'-P-C4' energy: -23.217
flat angles P-C4'-P energy: -12.536
tors. eta vs tors. theta energy: -21.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -249.572147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.572147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.698309 (E_RNA)
where:
Base-Base interactions energy: -147.569
where: short stacking energy: -71.746
Base-Backbone interact. energy: 0.510
local terms energy: -103.638838
where:
bonds (distance) C4'-P energy: -22.788
bonds (distance) P-C4' energy: -23.767
flat angles C4'-P-C4' energy: -23.753
flat angles P-C4'-P energy: -12.628
tors. eta vs tors. theta energy: -20.702
Dist. restrs. and SS energy: 1.126 (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: 421
Temperature: 1.150000
Total energy: -240.168243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.168243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.202762 (E_RNA)
where:
Base-Base interactions energy: -142.461
where: short stacking energy: -77.385
Base-Backbone interact. energy: 0.740
local terms energy: -98.481447
where:
bonds (distance) C4'-P energy: -22.125
bonds (distance) P-C4' energy: -22.521
flat angles C4'-P-C4' energy: -22.768
flat angles P-C4'-P energy: -14.832
tors. eta vs tors. theta energy: -16.236
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -232.539330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.539330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.614096 (E_RNA)
where:
Base-Base interactions energy: -141.638
where: short stacking energy: -76.144
Base-Backbone interact. energy: 0.201
local terms energy: -91.176864
where:
bonds (distance) C4'-P energy: -24.667
bonds (distance) P-C4' energy: -23.980
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: -14.318
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -233.080864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.080864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.249808 (E_RNA)
where:
Base-Base interactions energy: -140.682
where: short stacking energy: -70.991
Base-Backbone interact. energy: -0.262
local terms energy: -92.305436
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -24.089
flat angles C4'-P-C4' energy: -20.753
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -19.893
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: 1
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -210.422193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.422193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.430783 (E_RNA)
where:
Base-Base interactions energy: -128.831
where: short stacking energy: -61.189
Base-Backbone interact. energy: -0.548
local terms energy: -81.051142
where:
bonds (distance) C4'-P energy: -21.845
bonds (distance) P-C4' energy: -17.036
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -12.995
tors. eta vs tors. theta energy: -12.930
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: 6
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -201.332820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.332820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.214487 (E_RNA)
where:
Base-Base interactions energy: -122.133
where: short stacking energy: -53.600
Base-Backbone interact. energy: -0.186
local terms energy: -81.895159
where:
bonds (distance) C4'-P energy: -21.722
bonds (distance) P-C4' energy: -20.413
flat angles C4'-P-C4' energy: -19.620
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -9.079
Dist. restrs. and SS energy: 2.882 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -289.738238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.738238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.213118 (E_RNA)
where:
Base-Base interactions energy: -184.941
where: short stacking energy: -96.734
Base-Backbone interact. energy: -0.010
local terms energy: -105.262051
where:
bonds (distance) C4'-P energy: -20.331
bonds (distance) P-C4' energy: -16.500
flat angles C4'-P-C4' energy: -25.219
flat angles P-C4'-P energy: -14.516
tors. eta vs tors. theta energy: -28.696
Dist. restrs. and SS energy: 0.475 (S_DIST_RNA)
chem. 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: -299.781328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.781328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.382909 (E_RNA)
where:
Base-Base interactions energy: -180.924
where: short stacking energy: -103.376
Base-Backbone interact. energy: -0.008
local terms energy: -119.450321
where:
bonds (distance) C4'-P energy: -23.005
bonds (distance) P-C4' energy: -23.009
flat angles C4'-P-C4' energy: -25.468
flat angles P-C4'-P energy: -17.970
tors. eta vs tors. theta energy: -29.999
Dist. restrs. and SS energy: 0.602 (S_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: 422
Temperature: 1.000000
Total energy: -258.646412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.646412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.688148 (E_RNA)
where:
Base-Base interactions energy: -154.050
where: short stacking energy: -90.775
Base-Backbone interact. energy: -0.092
local terms energy: -104.545879
where:
bonds (distance) C4'-P energy: -19.106
bonds (distance) P-C4' energy: -21.484
flat angles C4'-P-C4' energy: -24.847
flat angles P-C4'-P energy: -17.825
tors. eta vs tors. theta energy: -21.284
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: 3
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -259.876472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.876472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.916121 (E_RNA)
where:
Base-Base interactions energy: -154.599
where: short stacking energy: -86.438
Base-Backbone interact. energy: -0.173
local terms energy: -105.143981
where:
bonds (distance) C4'-P energy: -23.437
bonds (distance) P-C4' energy: -23.045
flat angles C4'-P-C4' energy: -23.691
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -22.594
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -239.404814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.404814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.664455 (E_RNA)
where:
Base-Base interactions energy: -142.871
where: short stacking energy: -78.240
Base-Backbone interact. energy: -0.061
local terms energy: -96.731875
where:
bonds (distance) C4'-P energy: -19.393
bonds (distance) P-C4' energy: -24.822
flat angles C4'-P-C4' energy: -24.732
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -17.272
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: 6, replica: 10
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -230.465646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.465646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.770393 (E_RNA)
where:
Base-Base interactions energy: -137.798
where: short stacking energy: -68.733
Base-Backbone interact. energy: 0.014
local terms energy: -93.986322
where:
bonds (distance) C4'-P energy: -18.419
bonds (distance) P-C4' energy: -20.994
flat angles C4'-P-C4' energy: -22.408
flat angles P-C4'-P energy: -13.547
tors. eta vs tors. theta energy: -18.618
Dist. restrs. and SS energy: 1.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -226.854492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.854492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.854492 (E_RNA)
where:
Base-Base interactions energy: -136.510
where: short stacking energy: -69.372
Base-Backbone interact. energy: -0.486
local terms energy: -89.858554
where:
bonds (distance) C4'-P energy: -19.978
bonds (distance) P-C4' energy: -21.747
flat angles C4'-P-C4' energy: -25.350
flat angles P-C4'-P energy: -13.298
tors. eta vs tors. theta energy: -9.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -214.678848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.678848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.719617 (E_RNA)
where:
Base-Base interactions energy: -123.734
where: short stacking energy: -60.051
Base-Backbone interact. energy: -0.069
local terms energy: -90.916970
where:
bonds (distance) C4'-P energy: -19.975
bonds (distance) P-C4' energy: -18.561
flat angles C4'-P-C4' energy: -21.854
flat angles P-C4'-P energy: -8.045
tors. eta vs tors. theta energy: -22.482
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -214.194129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.194129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.388300 (E_RNA)
where:
Base-Base interactions energy: -122.997
where: short stacking energy: -59.439
Base-Backbone interact. energy: -0.046
local terms energy: -91.345302
where:
bonds (distance) C4'-P energy: -19.639
bonds (distance) P-C4' energy: -24.426
flat angles C4'-P-C4' energy: -19.292
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: -14.837
Dist. restrs. and SS energy: 0.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -205.400424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.400424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.497359 (E_RNA)
where:
Base-Base interactions energy: -128.242
where: short stacking energy: -63.798
Base-Backbone interact. energy: 0.426
local terms energy: -77.680901
where:
bonds (distance) C4'-P energy: -21.049
bonds (distance) P-C4' energy: -19.940
flat angles C4'-P-C4' energy: -18.308
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -8.825
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: 5
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -301.226131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.226131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.685423 (E_RNA)
where:
Base-Base interactions energy: -188.865
where: short stacking energy: -104.882
Base-Backbone interact. energy: -0.087
local terms energy: -113.733435
where:
bonds (distance) C4'-P energy: -16.664
bonds (distance) P-C4' energy: -25.709
flat angles C4'-P-C4' energy: -24.836
flat angles P-C4'-P energy: -16.470
tors. eta vs tors. theta energy: -30.055
Dist. restrs. and SS energy: 1.459 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -298.432460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.432460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.467270 (E_RNA)
where:
Base-Base interactions energy: -183.753
where: short stacking energy: -103.551
Base-Backbone interact. energy: -0.010
local terms energy: -114.703992
where:
bonds (distance) C4'-P energy: -19.376
bonds (distance) P-C4' energy: -23.809
flat angles C4'-P-C4' energy: -23.141
flat angles P-C4'-P energy: -18.364
tors. eta vs tors. theta energy: -30.013
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: 9
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -288.782230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.782230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.454495 (E_RNA)
where:
Base-Base interactions energy: -178.607
where: short stacking energy: -104.852
Base-Backbone interact. energy: -0.013
local terms energy: -111.834460
where:
bonds (distance) C4'-P energy: -24.905
bonds (distance) P-C4' energy: -13.696
flat angles C4'-P-C4' energy: -26.360
flat angles P-C4'-P energy: -15.989
tors. eta vs tors. theta energy: -30.884
Dist. restrs. and SS energy: 1.672 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -252.465684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.465684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.809237 (E_RNA)
where:
Base-Base interactions energy: -152.908
where: short stacking energy: -78.640
Base-Backbone interact. energy: -0.128
local terms energy: -99.773085
where:
bonds (distance) C4'-P energy: -17.354
bonds (distance) P-C4' energy: -23.321
flat angles C4'-P-C4' energy: -22.436
flat angles P-C4'-P energy: -14.899
tors. eta vs tors. theta energy: -21.762
Dist. restrs. and SS energy: 0.344 (S_DIST_RNA)
chem. 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: -249.259463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.259463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.853445 (E_RNA)
where:
Base-Base interactions energy: -162.146
where: short stacking energy: -84.790
Base-Backbone interact. energy: 4.247
local terms energy: -92.954733
where:
bonds (distance) C4'-P energy: -11.398
bonds (distance) P-C4' energy: -23.479
flat angles C4'-P-C4' energy: -19.541
flat angles P-C4'-P energy: -12.940
tors. eta vs tors. theta energy: -25.597
Dist. restrs. and SS energy: 1.594 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -228.119154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.119154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.123412 (E_RNA)
where:
Base-Base interactions energy: -135.998
where: short stacking energy: -72.188
Base-Backbone interact. energy: -0.164
local terms energy: -91.961349
where:
bonds (distance) C4'-P energy: -17.764
bonds (distance) P-C4' energy: -23.380
flat angles C4'-P-C4' energy: -21.462
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -18.559
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: 8
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -207.716517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.716517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.717197 (E_RNA)
where:
Base-Base interactions energy: -127.540
where: short stacking energy: -62.652
Base-Backbone interact. energy: -0.117
local terms energy: -80.060495
where:
bonds (distance) C4'-P energy: -10.626
bonds (distance) P-C4' energy: -24.775
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -17.361
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: 423
Temperature: 1.250000
Total energy: -220.617256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.617256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.617256 (E_RNA)
where:
Base-Base interactions energy: -136.191
where: short stacking energy: -65.942
Base-Backbone interact. energy: -0.228
local terms energy: -84.197607
where:
bonds (distance) C4'-P energy: -23.291
bonds (distance) P-C4' energy: -18.515
flat angles C4'-P-C4' energy: -19.929
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -12.230
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -216.942545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.942545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.083903 (E_RNA)
where:
Base-Base interactions energy: -135.690
where: short stacking energy: -68.862
Base-Backbone interact. energy: -0.126
local terms energy: -81.268230
where:
bonds (distance) C4'-P energy: -14.680
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -20.952
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: -17.361
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: 1
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -226.991044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.991044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.975329 (E_RNA)
where:
Base-Base interactions energy: -136.582
where: short stacking energy: -76.575
Base-Backbone interact. energy: 0.420
local terms energy: -91.812900
where:
bonds (distance) C4'-P energy: -19.307
bonds (distance) P-C4' energy: -21.820
flat angles C4'-P-C4' energy: -22.860
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -17.120
Dist. restrs. and SS energy: 0.984 (S_DIST_RNA)
chem. 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: -302.675764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.675764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.696860 (E_RNA)
where:
Base-Base interactions energy: -189.271
where: short stacking energy: -106.633
Base-Backbone interact. energy: -0.396
local terms energy: -113.029517
where:
bonds (distance) C4'-P energy: -22.278
bonds (distance) P-C4' energy: -22.591
flat angles C4'-P-C4' energy: -19.750
flat angles P-C4'-P energy: -19.616
tors. eta vs tors. theta energy: -28.794
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: 5
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -292.131123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.131123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.453379 (E_RNA)
where:
Base-Base interactions energy: -179.474
where: short stacking energy: -95.209
Base-Backbone interact. energy: 0.111
local terms energy: -113.090916
where:
bonds (distance) C4'-P energy: -22.941
bonds (distance) P-C4' energy: -20.553
flat angles C4'-P-C4' energy: -23.813
flat angles P-C4'-P energy: -14.678
tors. eta vs tors. theta energy: -31.107
Dist. restrs. and SS energy: 0.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -273.658334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.658334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.679567 (E_RNA)
where:
Base-Base interactions energy: -176.508
where: short stacking energy: -88.758
Base-Backbone interact. energy: -0.897
local terms energy: -96.274487
where:
bonds (distance) C4'-P energy: -20.288
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -20.274
flat angles P-C4'-P energy: -13.399
tors. eta vs tors. theta energy: -26.076
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -274.775645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.775645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.801145 (E_RNA)
where:
Base-Base interactions energy: -171.119
where: short stacking energy: -103.180
Base-Backbone interact. energy: 1.131
local terms energy: -104.812676
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -16.662
flat angles C4'-P-C4' energy: -26.013
flat angles P-C4'-P energy: -15.445
tors. eta vs tors. theta energy: -31.043
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: 3
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -228.040218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.040218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.368190 (E_RNA)
where:
Base-Base interactions energy: -140.195
where: short stacking energy: -68.820
Base-Backbone interact. energy: -0.782
local terms energy: -87.390560
where:
bonds (distance) C4'-P energy: -18.485
bonds (distance) P-C4' energy: -22.570
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -15.179
tors. eta vs tors. theta energy: -15.675
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: 6, replica: 10
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -219.939160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.939160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.022564 (E_RNA)
where:
Base-Base interactions energy: -123.470
where: short stacking energy: -58.092
Base-Backbone interact. energy: -0.370
local terms energy: -96.183026
where:
bonds (distance) C4'-P energy: -21.300
bonds (distance) P-C4' energy: -24.392
flat angles C4'-P-C4' energy: -19.730
flat angles P-C4'-P energy: -13.721
tors. eta vs tors. theta energy: -17.040
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: 6
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -223.916157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.916157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.013601 (E_RNA)
where:
Base-Base interactions energy: -142.314
where: short stacking energy: -70.981
Base-Backbone interact. energy: -0.119
local terms energy: -81.581213
where:
bonds (distance) C4'-P energy: -22.071
bonds (distance) P-C4' energy: -17.071
flat angles C4'-P-C4' energy: -21.783
flat angles P-C4'-P energy: -3.418
tors. eta vs tors. theta energy: -17.239
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -209.087598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.087598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.276495 (E_RNA)
where:
Base-Base interactions energy: -123.338
where: short stacking energy: -53.336
Base-Backbone interact. energy: 0.347
local terms energy: -86.284883
where:
bonds (distance) C4'-P energy: -20.414
bonds (distance) P-C4' energy: -24.005
flat angles C4'-P-C4' energy: -21.202
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -9.018
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: 1
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -226.856339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.856339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.563403 (E_RNA)
where:
Base-Base interactions energy: -145.909
where: short stacking energy: -74.536
Base-Backbone interact. energy: -0.018
local terms energy: -82.636079
where:
bonds (distance) C4'-P energy: -19.228
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -18.251
flat angles P-C4'-P energy: -14.668
tors. eta vs tors. theta energy: -15.706
Dist. restrs. and SS energy: 1.707 (S_DIST_RNA)
chem. 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: -199.360377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.360377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.360377 (E_RNA)
where:
Base-Base interactions energy: -117.262
where: short stacking energy: -51.621
Base-Backbone interact. energy: -0.095
local terms energy: -82.003693
where:
bonds (distance) C4'-P energy: -22.431
bonds (distance) P-C4' energy: -20.537
flat angles C4'-P-C4' energy: -20.072
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -7.709
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -301.515927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.515927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.540071 (E_RNA)
where:
Base-Base interactions energy: -186.014
where: short stacking energy: -114.848
Base-Backbone interact. energy: -0.012
local terms energy: -115.514000
where:
bonds (distance) C4'-P energy: -21.165
bonds (distance) P-C4' energy: -21.643
flat angles C4'-P-C4' energy: -25.210
flat angles P-C4'-P energy: -17.158
tors. eta vs tors. theta energy: -30.339
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: 5
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -306.613694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.613694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.810588 (E_RNA)
where:
Base-Base interactions energy: -187.589
where: short stacking energy: -106.567
Base-Backbone interact. energy: -0.003
local terms energy: -121.217822
where:
bonds (distance) C4'-P energy: -25.052
bonds (distance) P-C4' energy: -26.735
flat angles C4'-P-C4' energy: -23.314
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -34.871
Dist. restrs. and SS energy: 2.197 (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: 9
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -261.413342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.413342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.466820 (E_RNA)
where:
Base-Base interactions energy: -165.451
where: short stacking energy: -85.249
Base-Backbone interact. energy: -0.137
local terms energy: -95.878976
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -23.832
flat angles C4'-P-C4' energy: -20.893
flat angles P-C4'-P energy: -14.841
tors. eta vs tors. theta energy: -23.525
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: 425
Temperature: 1.050000
Total energy: -275.797091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.797091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.852630 (E_RNA)
where:
Base-Base interactions energy: -168.359
where: short stacking energy: -91.178
Base-Backbone interact. energy: -0.092
local terms energy: -107.402143
where:
bonds (distance) C4'-P energy: -22.990
bonds (distance) P-C4' energy: -19.834
flat angles C4'-P-C4' energy: -26.426
flat angles P-C4'-P energy: -16.109
tors. eta vs tors. theta energy: -22.043
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: 3
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -241.738386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.738386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.738386 (E_RNA)
where:
Base-Base interactions energy: -144.221
where: short stacking energy: -76.531
Base-Backbone interact. energy: -0.034
local terms energy: -97.483503
where:
bonds (distance) C4'-P energy: -20.575
bonds (distance) P-C4' energy: -21.595
flat angles C4'-P-C4' energy: -18.886
flat angles P-C4'-P energy: -16.708
tors. eta vs tors. theta energy: -19.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -246.233030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.233030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.291407 (E_RNA)
where:
Base-Base interactions energy: -148.417
where: short stacking energy: -80.713
Base-Backbone interact. energy: -0.156
local terms energy: -97.718390
where:
bonds (distance) C4'-P energy: -18.603
bonds (distance) P-C4' energy: -20.500
flat angles C4'-P-C4' energy: -22.463
flat angles P-C4'-P energy: -15.628
tors. eta vs tors. theta energy: -20.525
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: 10
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -203.968100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.968100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.987954 (E_RNA)
where:
Base-Base interactions energy: -129.301
where: short stacking energy: -65.904
Base-Backbone interact. energy: -0.310
local terms energy: -74.376577
where:
bonds (distance) C4'-P energy: -24.120
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: -8.994
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -207.264363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.264363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.356693 (E_RNA)
where:
Base-Base interactions energy: -130.338
where: short stacking energy: -64.954
Base-Backbone interact. energy: -0.020
local terms energy: -76.998586
where:
bonds (distance) C4'-P energy: -17.812
bonds (distance) P-C4' energy: -20.895
flat angles C4'-P-C4' energy: -20.452
flat angles P-C4'-P energy: -5.877
tors. eta vs tors. theta energy: -11.961
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -205.727195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.727195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.776321 (E_RNA)
where:
Base-Base interactions energy: -122.911
where: short stacking energy: -52.672
Base-Backbone interact. energy: -0.281
local terms energy: -82.584010
where:
bonds (distance) C4'-P energy: -18.577
bonds (distance) P-C4' energy: -20.339
flat angles C4'-P-C4' energy: -11.739
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -18.665
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -194.685794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.685794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.801414 (E_RNA)
where:
Base-Base interactions energy: -120.409
where: short stacking energy: -59.605
Base-Backbone interact. energy: 5.351
local terms energy: -79.743158
where:
bonds (distance) C4'-P energy: -21.459
bonds (distance) P-C4' energy: -16.571
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -14.528
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: 7
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -302.017364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.017364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.017364 (E_RNA)
where:
Base-Base interactions energy: -183.230
where: short stacking energy: -101.762
Base-Backbone interact. energy: -0.126
local terms energy: -118.661717
where:
bonds (distance) C4'-P energy: -19.289
bonds (distance) P-C4' energy: -24.782
flat angles C4'-P-C4' energy: -26.399
flat angles P-C4'-P energy: -20.435
tors. eta vs tors. theta energy: -27.757
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -312.664758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.664758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.762014 (E_RNA)
where:
Base-Base interactions energy: -199.871
where: short stacking energy: -107.262
Base-Backbone interact. energy: -0.018
local terms energy: -114.872552
where:
bonds (distance) C4'-P energy: -19.666
bonds (distance) P-C4' energy: -19.321
flat angles C4'-P-C4' energy: -25.745
flat angles P-C4'-P energy: -16.375
tors. eta vs tors. theta energy: -33.766
Dist. restrs. and SS energy: 2.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -291.129348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.129348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.153077 (E_RNA)
where:
Base-Base interactions energy: -183.174
where: short stacking energy: -97.246
Base-Backbone interact. energy: -1.272
local terms energy: -106.706941
where:
bonds (distance) C4'-P energy: -16.006
bonds (distance) P-C4' energy: -25.374
flat angles C4'-P-C4' energy: -26.303
flat angles P-C4'-P energy: -12.838
tors. eta vs tors. theta energy: -26.187
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: 426
Temperature: 1.050000
Total energy: -273.414428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.414428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.427054 (E_RNA)
where:
Base-Base interactions energy: -165.198
where: short stacking energy: -80.783
Base-Backbone interact. energy: -0.103
local terms energy: -108.126170
where:
bonds (distance) C4'-P energy: -18.547
bonds (distance) P-C4' energy: -25.382
flat angles C4'-P-C4' energy: -22.403
flat angles P-C4'-P energy: -17.998
tors. eta vs tors. theta energy: -23.797
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: 3
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -248.810277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.810277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.697972 (E_RNA)
where:
Base-Base interactions energy: -152.560
where: short stacking energy: -79.534
Base-Backbone interact. energy: -0.049
local terms energy: -98.088403
where:
bonds (distance) C4'-P energy: -17.239
bonds (distance) P-C4' energy: -24.495
flat angles C4'-P-C4' energy: -19.050
flat angles P-C4'-P energy: -16.495
tors. eta vs tors. theta energy: -20.809
Dist. restrs. and SS energy: 1.888 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -227.631611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.631611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.884241 (E_RNA)
where:
Base-Base interactions energy: -140.924
where: short stacking energy: -74.942
Base-Backbone interact. energy: -0.413
local terms energy: -86.546710
where:
bonds (distance) C4'-P energy: -21.477
bonds (distance) P-C4' energy: -17.866
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: -17.979
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: 7, replica: 8
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -220.659197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.659197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.864809 (E_RNA)
where:
Base-Base interactions energy: -129.156
where: short stacking energy: -70.423
Base-Backbone interact. energy: -0.183
local terms energy: -91.526135
where:
bonds (distance) C4'-P energy: -22.016
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -17.980
flat angles P-C4'-P energy: -17.092
tors. eta vs tors. theta energy: -18.221
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: 8, replica: 10
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -217.617242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.617242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.617242 (E_RNA)
where:
Base-Base interactions energy: -135.997
where: short stacking energy: -67.673
Base-Backbone interact. energy: -0.352
local terms energy: -81.268664
where:
bonds (distance) C4'-P energy: -17.210
bonds (distance) P-C4' energy: -19.904
flat angles C4'-P-C4' energy: -19.475
flat angles P-C4'-P energy: -13.020
tors. eta vs tors. theta energy: -11.660
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -210.548611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.548611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.626889 (E_RNA)
where:
Base-Base interactions energy: -127.936
where: short stacking energy: -64.118
Base-Backbone interact. energy: -0.289
local terms energy: -82.401159
where:
bonds (distance) C4'-P energy: -19.751
bonds (distance) P-C4' energy: -24.765
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -11.413
tors. eta vs tors. theta energy: -11.589
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: 426
Temperature: 1.350000
Total energy: -205.044782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.044782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.220777 (E_RNA)
where:
Base-Base interactions energy: -126.150
where: short stacking energy: -50.132
Base-Backbone interact. energy: -0.036
local terms energy: -79.034493
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -21.530
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -17.974
tors. eta vs tors. theta energy: -6.362
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -295.318461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.318461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.989302 (E_RNA)
where:
Base-Base interactions energy: -179.234
where: short stacking energy: -97.720
Base-Backbone interact. energy: -0.218
local terms energy: -116.537989
where:
bonds (distance) C4'-P energy: -22.994
bonds (distance) P-C4' energy: -22.232
flat angles C4'-P-C4' energy: -26.021
flat angles P-C4'-P energy: -14.744
tors. eta vs tors. theta energy: -30.546
Dist. restrs. and SS energy: 0.671 (S_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: 427
Temperature: 0.950000
Total energy: -297.416117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.416117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.061983 (E_RNA)
where:
Base-Base interactions energy: -189.231
where: short stacking energy: -98.479
Base-Backbone interact. energy: -0.015
local terms energy: -108.815854
where:
bonds (distance) C4'-P energy: -19.255
bonds (distance) P-C4' energy: -23.137
flat angles C4'-P-C4' energy: -23.240
flat angles P-C4'-P energy: -14.574
tors. eta vs tors. theta energy: -28.610
Dist. restrs. and SS energy: 0.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -267.428122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.428122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.435646 (E_RNA)
where:
Base-Base interactions energy: -161.368
where: short stacking energy: -93.479
Base-Backbone interact. energy: -0.161
local terms energy: -105.906110
where:
bonds (distance) C4'-P energy: -16.800
bonds (distance) P-C4' energy: -18.760
flat angles C4'-P-C4' energy: -24.937
flat angles P-C4'-P energy: -19.294
tors. eta vs tors. theta energy: -26.115
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -236.188659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.188659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.422486 (E_RNA)
where:
Base-Base interactions energy: -136.191
where: short stacking energy: -64.055
Base-Backbone interact. energy: -0.894
local terms energy: -100.337752
where:
bonds (distance) C4'-P energy: -24.537
bonds (distance) P-C4' energy: -23.324
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -16.850
tors. eta vs tors. theta energy: -18.955
Dist. restrs. and SS energy: 1.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -260.702090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.702090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.785050 (E_RNA)
where:
Base-Base interactions energy: -166.046
where: short stacking energy: -77.612
Base-Backbone interact. energy: -0.293
local terms energy: -94.446159
where:
bonds (distance) C4'-P energy: -24.712
bonds (distance) P-C4' energy: -19.219
flat angles C4'-P-C4' energy: -21.920
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: -16.579
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -229.701347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.701347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.391258 (E_RNA)
where:
Base-Base interactions energy: -148.743
where: short stacking energy: -69.350
Base-Backbone interact. energy: -0.077
local terms energy: -82.571220
where:
bonds (distance) C4'-P energy: -18.401
bonds (distance) P-C4' energy: -23.690
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -14.852
Dist. restrs. and SS energy: 1.690 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -236.087145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.087145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.113005 (E_RNA)
where:
Base-Base interactions energy: -139.073
where: short stacking energy: -74.947
Base-Backbone interact. energy: -0.226
local terms energy: -96.813572
where:
bonds (distance) C4'-P energy: -20.026
bonds (distance) P-C4' energy: -19.907
flat angles C4'-P-C4' energy: -21.131
flat angles P-C4'-P energy: -15.402
tors. eta vs tors. theta energy: -20.347
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: 10
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -215.774016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.774016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.871457 (E_RNA)
where:
Base-Base interactions energy: -129.947
where: short stacking energy: -60.485
Base-Backbone interact. energy: 0.823
local terms energy: -86.747050
where:
bonds (distance) C4'-P energy: -19.134
bonds (distance) P-C4' energy: -22.539
flat angles C4'-P-C4' energy: -18.353
flat angles P-C4'-P energy: -13.619
tors. eta vs tors. theta energy: -13.103
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: 1
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -198.143320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.143320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.264757 (E_RNA)
where:
Base-Base interactions energy: -119.884
where: short stacking energy: -63.283
Base-Backbone interact. energy: -0.463
local terms energy: -77.917132
where:
bonds (distance) C4'-P energy: -16.307
bonds (distance) P-C4' energy: -18.191
flat angles C4'-P-C4' energy: -18.073
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -15.019
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: 10, replica: 4
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -201.878946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.878946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.992436 (E_RNA)
where:
Base-Base interactions energy: -118.652
where: short stacking energy: -64.194
Base-Backbone interact. energy: -0.528
local terms energy: -82.811721
where:
bonds (distance) C4'-P energy: -16.925
bonds (distance) P-C4' energy: -20.969
flat angles C4'-P-C4' energy: -25.228
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -7.397
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: 1, replica: 5
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -301.745306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.745306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.832303 (E_RNA)
where:
Base-Base interactions energy: -186.271
where: short stacking energy: -109.776
Base-Backbone interact. energy: -0.107
local terms energy: -116.454829
where:
bonds (distance) C4'-P energy: -24.646
bonds (distance) P-C4' energy: -23.119
flat angles C4'-P-C4' energy: -21.043
flat angles P-C4'-P energy: -13.922
tors. eta vs tors. theta energy: -33.726
Dist. restrs. and SS energy: 1.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -279.894789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.894789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.046792 (E_RNA)
where:
Base-Base interactions energy: -178.223
where: short stacking energy: -87.372
Base-Backbone interact. energy: -0.334
local terms energy: -102.489729
where:
bonds (distance) C4'-P energy: -17.015
bonds (distance) P-C4' energy: -23.696
flat angles C4'-P-C4' energy: -22.813
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -27.296
Dist. restrs. and SS energy: 1.152 (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: 2
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -261.043193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.043193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.097684 (E_RNA)
where:
Base-Base interactions energy: -161.548
where: short stacking energy: -89.095
Base-Backbone interact. energy: -0.240
local terms energy: -99.309345
where:
bonds (distance) C4'-P energy: -19.496
bonds (distance) P-C4' energy: -22.483
flat angles C4'-P-C4' energy: -21.072
flat angles P-C4'-P energy: -13.208
tors. eta vs tors. theta energy: -23.050
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: 3
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -243.077595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.077595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.126185 (E_RNA)
where:
Base-Base interactions energy: -145.318
where: short stacking energy: -80.288
Base-Backbone interact. energy: -0.149
local terms energy: -99.658578
where:
bonds (distance) C4'-P energy: -20.240
bonds (distance) P-C4' energy: -24.079
flat angles C4'-P-C4' energy: -19.651
flat angles P-C4'-P energy: -13.816
tors. eta vs tors. theta energy: -21.873
Dist. restrs. and SS energy: 2.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -239.521876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.521876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.623160 (E_RNA)
where:
Base-Base interactions energy: -145.887
where: short stacking energy: -76.783
Base-Backbone interact. energy: -0.363
local terms energy: -93.373068
where:
bonds (distance) C4'-P energy: -18.328
bonds (distance) P-C4' energy: -26.089
flat angles C4'-P-C4' energy: -22.425
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -15.938
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: 8
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -251.367483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.367483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.282106 (E_RNA)
where:
Base-Base interactions energy: -158.716
where: short stacking energy: -88.817
Base-Backbone interact. energy: -0.007
local terms energy: -94.559272
where:
bonds (distance) C4'-P energy: -19.901
bonds (distance) P-C4' energy: -18.892
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -27.173
Dist. restrs. and SS energy: 1.915 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -226.645459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.645459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.093947 (E_RNA)
where:
Base-Base interactions energy: -126.598
where: short stacking energy: -65.095
Base-Backbone interact. energy: -0.148
local terms energy: -100.347570
where:
bonds (distance) C4'-P energy: -22.008
bonds (distance) P-C4' energy: -19.889
flat angles C4'-P-C4' energy: -20.691
flat angles P-C4'-P energy: -17.081
tors. eta vs tors. theta energy: -20.679
Dist. restrs. and SS energy: 0.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -213.002726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.002726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.133524 (E_RNA)
where:
Base-Base interactions energy: -123.898
where: short stacking energy: -59.652
Base-Backbone interact. energy: -0.606
local terms energy: -88.629277
where:
bonds (distance) C4'-P energy: -20.659
bonds (distance) P-C4' energy: -17.167
flat angles C4'-P-C4' energy: -21.571
flat angles P-C4'-P energy: -14.616
tors. eta vs tors. theta energy: -14.617
Dist. restrs. and SS energy: 0.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -232.831141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.831141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.225795 (E_RNA)
where:
Base-Base interactions energy: -137.352
where: short stacking energy: -77.198
Base-Backbone interact. energy: -0.020
local terms energy: -95.853730
where:
bonds (distance) C4'-P energy: -20.452
bonds (distance) P-C4' energy: -19.605
flat angles C4'-P-C4' energy: -19.321
flat angles P-C4'-P energy: -13.433
tors. eta vs tors. theta energy: -23.043
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: 10, replica: 1
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -206.908079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.908079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.909666 (E_RNA)
where:
Base-Base interactions energy: -130.807
where: short stacking energy: -67.904
Base-Backbone interact. energy: -0.125
local terms energy: -75.977410
where:
bonds (distance) C4'-P energy: -15.173
bonds (distance) P-C4' energy: -23.050
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -13.064
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: 5
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -294.285305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.285305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.484728 (E_RNA)
where:
Base-Base interactions energy: -176.711
where: short stacking energy: -103.324
Base-Backbone interact. energy: -0.209
local terms energy: -117.564176
where:
bonds (distance) C4'-P energy: -24.372
bonds (distance) P-C4' energy: -22.077
flat angles C4'-P-C4' energy: -21.849
flat angles P-C4'-P energy: -20.452
tors. eta vs tors. theta energy: -28.813
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: 2, replica: 2
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -297.352796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.352796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.783497 (E_RNA)
where:
Base-Base interactions energy: -184.702
where: short stacking energy: -103.793
Base-Backbone interact. energy: -0.009
local terms energy: -113.072690
where:
bonds (distance) C4'-P energy: -20.899
bonds (distance) P-C4' energy: -26.178
flat angles C4'-P-C4' energy: -22.764
flat angles P-C4'-P energy: -15.188
tors. eta vs tors. theta energy: -28.044
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: 3, replica: 7
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -290.562946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.562946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.957121 (E_RNA)
where:
Base-Base interactions energy: -176.369
where: short stacking energy: -104.154
Base-Backbone interact. energy: -0.618
local terms energy: -115.970211
where:
bonds (distance) C4'-P energy: -21.713
bonds (distance) P-C4' energy: -21.414
flat angles C4'-P-C4' energy: -22.810
flat angles P-C4'-P energy: -17.452
tors. eta vs tors. theta energy: -32.581
Dist. restrs. and SS energy: 2.394 (S_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: 429
Temperature: 1.050000
Total energy: -277.597248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.597248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.749935 (E_RNA)
where:
Base-Base interactions energy: -172.199
where: short stacking energy: -94.805
Base-Backbone interact. energy: -0.212
local terms energy: -105.338593
where:
bonds (distance) C4'-P energy: -19.012
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -20.946
flat angles P-C4'-P energy: -16.140
tors. eta vs tors. theta energy: -32.289
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: 429
Temperature: 1.100000
Total energy: -237.972281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.972281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.617962 (E_RNA)
where:
Base-Base interactions energy: -149.157
where: short stacking energy: -63.562
Base-Backbone interact. energy: -1.152
local terms energy: -89.309025
where:
bonds (distance) C4'-P energy: -19.315
bonds (distance) P-C4' energy: -25.081
flat angles C4'-P-C4' energy: -18.617
flat angles P-C4'-P energy: -14.970
tors. eta vs tors. theta energy: -11.328
Dist. restrs. and SS energy: 1.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -269.913736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.913736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.942587 (E_RNA)
where:
Base-Base interactions energy: -155.482
where: short stacking energy: -90.811
Base-Backbone interact. energy: 0.867
local terms energy: -115.327726
where:
bonds (distance) C4'-P energy: -22.281
bonds (distance) P-C4' energy: -20.566
flat angles C4'-P-C4' energy: -26.796
flat angles P-C4'-P energy: -15.787
tors. eta vs tors. theta energy: -29.897
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: 6
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -243.501132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.501132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.170717 (E_RNA)
where:
Base-Base interactions energy: -142.887
where: short stacking energy: -69.282
Base-Backbone interact. energy: 0.003
local terms energy: -101.286974
where:
bonds (distance) C4'-P energy: -19.520
bonds (distance) P-C4' energy: -21.642
flat angles C4'-P-C4' energy: -24.837
flat angles P-C4'-P energy: -13.145
tors. eta vs tors. theta energy: -22.143
Dist. restrs. and SS energy: 0.670 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -223.331489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.331489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.342811 (E_RNA)
where:
Base-Base interactions energy: -135.327
where: short stacking energy: -60.123
Base-Backbone interact. energy: -0.544
local terms energy: -87.472332
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -24.032
flat angles P-C4'-P energy: -15.577
tors. eta vs tors. theta energy: -16.268
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: 10
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -220.140464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.140464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.141624 (E_RNA)
where:
Base-Base interactions energy: -131.577
where: short stacking energy: -67.331
Base-Backbone interact. energy: 0.545
local terms energy: -89.109717
where:
bonds (distance) C4'-P energy: -20.684
bonds (distance) P-C4' energy: -22.782
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -14.624
tors. eta vs tors. theta energy: -15.631
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -200.891199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.891199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.201920 (E_RNA)
where:
Base-Base interactions energy: -124.676
where: short stacking energy: -69.694
Base-Backbone interact. energy: -0.168
local terms energy: -76.357795
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -18.252
flat angles C4'-P-C4' energy: -20.561
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -15.174
Dist. restrs. and SS energy: 0.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -294.825779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.825779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.883067 (E_RNA)
where:
Base-Base interactions energy: -179.232
where: short stacking energy: -103.131
Base-Backbone interact. energy: -0.384
local terms energy: -115.266978
where:
bonds (distance) C4'-P energy: -19.700
bonds (distance) P-C4' energy: -22.418
flat angles C4'-P-C4' energy: -24.787
flat angles P-C4'-P energy: -19.070
tors. eta vs tors. theta energy: -29.292
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: 430
Temperature: 0.950000
Total energy: -281.781749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.781749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.513488 (E_RNA)
where:
Base-Base interactions energy: -173.299
where: short stacking energy: -90.127
Base-Backbone interact. energy: -0.005
local terms energy: -110.208575
where:
bonds (distance) C4'-P energy: -18.961
bonds (distance) P-C4' energy: -25.483
flat angles C4'-P-C4' energy: -23.623
flat angles P-C4'-P energy: -18.394
tors. eta vs tors. theta energy: -23.748
Dist. restrs. and SS energy: 1.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -291.887262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.887262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.963647 (E_RNA)
where:
Base-Base interactions energy: -176.617
where: short stacking energy: -99.620
Base-Backbone interact. energy: -1.044
local terms energy: -114.302961
where:
bonds (distance) C4'-P energy: -20.920
bonds (distance) P-C4' energy: -22.639
flat angles C4'-P-C4' energy: -22.251
flat angles P-C4'-P energy: -18.498
tors. eta vs tors. theta energy: -29.995
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: 7
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -274.561193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.561193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.301690 (E_RNA)
where:
Base-Base interactions energy: -175.340
where: short stacking energy: -89.780
Base-Backbone interact. energy: -0.472
local terms energy: -100.489054
where:
bonds (distance) C4'-P energy: -18.976
bonds (distance) P-C4' energy: -22.841
flat angles C4'-P-C4' energy: -20.512
flat angles P-C4'-P energy: -14.562
tors. eta vs tors. theta energy: -23.598
Dist. restrs. and SS energy: 1.740 (S_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: 430
Temperature: 1.100000
Total energy: -246.177226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.177226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.824015 (E_RNA)
where:
Base-Base interactions energy: -145.125
where: short stacking energy: -77.244
Base-Backbone interact. energy: 0.161
local terms energy: -102.860205
where:
bonds (distance) C4'-P energy: -19.741
bonds (distance) P-C4' energy: -25.649
flat angles C4'-P-C4' energy: -20.327
flat angles P-C4'-P energy: -16.295
tors. eta vs tors. theta energy: -20.848
Dist. restrs. and SS energy: 1.647 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -227.621294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.621294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.672279 (E_RNA)
where:
Base-Base interactions energy: -133.742
where: short stacking energy: -65.404
Base-Backbone interact. energy: -0.130
local terms energy: -93.800755
where:
bonds (distance) C4'-P energy: -19.064
bonds (distance) P-C4' energy: -22.518
flat angles C4'-P-C4' energy: -18.576
flat angles P-C4'-P energy: -15.294
tors. eta vs tors. theta energy: -18.349
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: 4
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -218.145856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.145856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.340184 (E_RNA)
where:
Base-Base interactions energy: -131.389
where: short stacking energy: -61.426
Base-Backbone interact. energy: -2.457
local terms energy: -84.494958
where:
bonds (distance) C4'-P energy: -22.568
bonds (distance) P-C4' energy: -17.437
flat angles C4'-P-C4' energy: -18.189
flat angles P-C4'-P energy: -13.374
tors. eta vs tors. theta energy: -12.928
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: 6
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -232.194981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.194981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.128722 (E_RNA)
where:
Base-Base interactions energy: -136.196
where: short stacking energy: -70.916
Base-Backbone interact. energy: -0.061
local terms energy: -97.871925
where:
bonds (distance) C4'-P energy: -20.760
bonds (distance) P-C4' energy: -21.959
flat angles C4'-P-C4' energy: -22.583
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: -20.434
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: 9, replica: 1
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -226.962990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.962990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.096740 (E_RNA)
where:
Base-Base interactions energy: -141.199
where: short stacking energy: -70.588
Base-Backbone interact. energy: -0.524
local terms energy: -85.373744
where:
bonds (distance) C4'-P energy: -19.198
bonds (distance) P-C4' energy: -20.324
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -11.559
tors. eta vs tors. theta energy: -18.254
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: 10, replica: 10
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -194.349997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.349997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.350703 (E_RNA)
where:
Base-Base interactions energy: -113.838
where: short stacking energy: -57.654
Base-Backbone interact. energy: 0.860
local terms energy: -81.372380
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -20.996
flat angles C4'-P-C4' energy: -20.814
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -11.729
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: 431
Temperature: 0.900000
Total energy: -295.781475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.781475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.009435 (E_RNA)
where:
Base-Base interactions energy: -181.243
where: short stacking energy: -97.283
Base-Backbone interact. energy: -0.545
local terms energy: -114.221112
where:
bonds (distance) C4'-P energy: -24.169
bonds (distance) P-C4' energy: -23.891
flat angles C4'-P-C4' energy: -25.101
flat angles P-C4'-P energy: -16.630
tors. eta vs tors. theta energy: -24.429
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: 2, replica: 9
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -286.605240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.605240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.612876 (E_RNA)
where:
Base-Base interactions energy: -167.137
where: short stacking energy: -94.259
Base-Backbone interact. energy: -0.001
local terms energy: -119.474314
where:
bonds (distance) C4'-P energy: -23.258
bonds (distance) P-C4' energy: -26.195
flat angles C4'-P-C4' energy: -23.566
flat angles P-C4'-P energy: -17.565
tors. eta vs tors. theta energy: -28.890
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: 5
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -274.118848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.118848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.309893 (E_RNA)
where:
Base-Base interactions energy: -162.645
where: short stacking energy: -82.918
Base-Backbone interact. energy: -0.022
local terms energy: -111.642220
where:
bonds (distance) C4'-P energy: -21.996
bonds (distance) P-C4' energy: -22.002
flat angles C4'-P-C4' energy: -21.420
flat angles P-C4'-P energy: -20.000
tors. eta vs tors. theta energy: -26.224
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -270.969529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.969529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.107387 (E_RNA)
where:
Base-Base interactions energy: -165.203
where: short stacking energy: -101.148
Base-Backbone interact. energy: -0.489
local terms energy: -105.415991
where:
bonds (distance) C4'-P energy: -21.267
bonds (distance) P-C4' energy: -19.616
flat angles C4'-P-C4' energy: -24.989
flat angles P-C4'-P energy: -13.049
tors. eta vs tors. theta energy: -26.495
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: 8
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -246.900514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.900514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.617447 (E_RNA)
where:
Base-Base interactions energy: -149.760
where: short stacking energy: -79.965
Base-Backbone interact. energy: -0.069
local terms energy: -97.787908
where:
bonds (distance) C4'-P energy: -18.311
bonds (distance) P-C4' energy: -21.663
flat angles C4'-P-C4' energy: -20.625
flat angles P-C4'-P energy: -19.439
tors. eta vs tors. theta energy: -17.749
Dist. restrs. and SS energy: 0.717 (S_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: 431
Temperature: 1.150000
Total energy: -207.691300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.691300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.852968 (E_RNA)
where:
Base-Base interactions energy: -122.308
where: short stacking energy: -68.344
Base-Backbone interact. energy: -0.096
local terms energy: -85.449737
where:
bonds (distance) C4'-P energy: -19.815
bonds (distance) P-C4' energy: -24.560
flat angles C4'-P-C4' energy: -18.221
flat angles P-C4'-P energy: -5.286
tors. eta vs tors. theta energy: -17.568
Dist. restrs. and SS energy: 0.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -218.577953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.577953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.616409 (E_RNA)
where:
Base-Base interactions energy: -130.345
where: short stacking energy: -67.214
Base-Backbone interact. energy: -0.125
local terms energy: -88.146703
where:
bonds (distance) C4'-P energy: -20.253
bonds (distance) P-C4' energy: -21.802
flat angles C4'-P-C4' energy: -18.438
flat angles P-C4'-P energy: -15.310
tors. eta vs tors. theta energy: -12.343
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: 6
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -245.988933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.988933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.091590 (E_RNA)
where:
Base-Base interactions energy: -147.625
where: short stacking energy: -82.513
Base-Backbone interact. energy: -0.184
local terms energy: -98.282576
where:
bonds (distance) C4'-P energy: -21.328
bonds (distance) P-C4' energy: -17.669
flat angles C4'-P-C4' energy: -21.477
flat angles P-C4'-P energy: -16.720
tors. eta vs tors. theta energy: -21.088
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: 1
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -208.174048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.174048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.177456 (E_RNA)
where:
Base-Base interactions energy: -128.486
where: short stacking energy: -64.441
Base-Backbone interact. energy: -0.021
local terms energy: -79.670223
where:
bonds (distance) C4'-P energy: -17.151
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -18.054
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: -14.968
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: 431
Temperature: 1.350000
Total energy: -195.690790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.690790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.699825 (E_RNA)
where:
Base-Base interactions energy: -117.448
where: short stacking energy: -51.694
Base-Backbone interact. energy: -0.370
local terms energy: -77.881624
where:
bonds (distance) C4'-P energy: -23.134
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -17.733
flat angles P-C4'-P energy: -14.423
tors. eta vs tors. theta energy: -6.066
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)
out arg RESULTS//1/VL30-32merconstraine-928de26f_01
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 9
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -302.147402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.147402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.186904 (E_RNA)
where:
Base-Base interactions energy: -186.246
where: short stacking energy: -115.611
Base-Backbone interact. energy: -0.111
local terms energy: -115.829199
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -24.164
flat angles C4'-P-C4' energy: -25.460
flat angles P-C4'-P energy: -16.011
tors. eta vs tors. theta energy: -33.814
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: 432
Temperature: 0.950000
Total energy: -277.045260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.045260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.213999 (E_RNA)
where:
Base-Base interactions energy: -171.708
where: short stacking energy: -90.136
Base-Backbone interact. energy: -1.035
local terms energy: -104.470961
where:
bonds (distance) C4'-P energy: -22.344
bonds (distance) P-C4' energy: -20.084
flat angles C4'-P-C4' energy: -22.483
flat angles P-C4'-P energy: -17.803
tors. eta vs tors. theta energy: -21.758
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: 7
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -277.684465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.684465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.689975 (E_RNA)
where:
Base-Base interactions energy: -168.883
where: short stacking energy: -90.512
Base-Backbone interact. energy: 0.201
local terms energy: -109.007383
where:
bonds (distance) C4'-P energy: -20.327
bonds (distance) P-C4' energy: -21.489
flat angles C4'-P-C4' energy: -22.759
flat angles P-C4'-P energy: -16.002
tors. eta vs tors. theta energy: -28.429
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: 432
Temperature: 1.050000
Total energy: -257.494742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.494742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.765212 (E_RNA)
where:
Base-Base interactions energy: -161.761
where: short stacking energy: -83.535
Base-Backbone interact. energy: 0.100
local terms energy: -96.104203
where:
bonds (distance) C4'-P energy: -16.894
bonds (distance) P-C4' energy: -20.011
flat angles C4'-P-C4' energy: -22.120
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -26.734
Dist. restrs. and SS energy: 0.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -240.816165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.816165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.885742 (E_RNA)
where:
Base-Base interactions energy: -148.829
where: short stacking energy: -81.691
Base-Backbone interact. energy: -0.131
local terms energy: -91.926131
where:
bonds (distance) C4'-P energy: -20.424
bonds (distance) P-C4' energy: -20.977
flat angles C4'-P-C4' energy: -21.657
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: -17.041
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: 4
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -223.013006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.013006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.185434 (E_RNA)
where:
Base-Base interactions energy: -128.003
where: short stacking energy: -67.617
Base-Backbone interact. energy: 0.766
local terms energy: -95.948727
where:
bonds (distance) C4'-P energy: -19.392
bonds (distance) P-C4' energy: -23.158
flat angles C4'-P-C4' energy: -19.464
flat angles P-C4'-P energy: -14.800
tors. eta vs tors. theta energy: -19.135
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: 432
Temperature: 1.200000
Total energy: -236.232416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.232416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.409619 (E_RNA)
where:
Base-Base interactions energy: -147.958
where: short stacking energy: -78.354
Base-Backbone interact. energy: -0.253
local terms energy: -88.198596
where:
bonds (distance) C4'-P energy: -16.346
bonds (distance) P-C4' energy: -20.688
flat angles C4'-P-C4' energy: -21.442
flat angles P-C4'-P energy: -14.373
tors. eta vs tors. theta energy: -15.349
Dist. restrs. and SS energy: 0.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -229.535099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.535099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.736589 (E_RNA)
where:
Base-Base interactions energy: -139.058
where: short stacking energy: -79.292
Base-Backbone interact. energy: -0.076
local terms energy: -90.602353
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -24.594
flat angles C4'-P-C4' energy: -18.743
flat angles P-C4'-P energy: -14.336
tors. eta vs tors. theta energy: -19.734
Dist. restrs. and SS energy: 0.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -230.624537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.624537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.689099 (E_RNA)
where:
Base-Base interactions energy: -139.633
where: short stacking energy: -74.704
Base-Backbone interact. energy: -0.844
local terms energy: -90.211988
where:
bonds (distance) C4'-P energy: -21.160
bonds (distance) P-C4' energy: -21.806
flat angles C4'-P-C4' energy: -19.411
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -16.403
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: 1
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -202.000351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.000351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.031618 (E_RNA)
where:
Base-Base interactions energy: -125.250
where: short stacking energy: -55.326
Base-Backbone interact. energy: -0.120
local terms energy: -76.662208
where:
bonds (distance) C4'-P energy: -18.190
bonds (distance) P-C4' energy: -21.387
flat angles C4'-P-C4' energy: -10.840
flat angles P-C4'-P energy: -14.837
tors. eta vs tors. theta energy: -11.408
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 9
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -302.942253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.942253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.988192 (E_RNA)
where:
Base-Base interactions energy: -179.004
where: short stacking energy: -111.983
Base-Backbone interact. energy: -0.749
local terms energy: -123.235227
where:
bonds (distance) C4'-P energy: -21.109
bonds (distance) P-C4' energy: -26.501
flat angles C4'-P-C4' energy: -24.190
flat angles P-C4'-P energy: -18.648
tors. eta vs tors. theta energy: -32.787
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: 2
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -294.863255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.863255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.961437 (E_RNA)
where:
Base-Base interactions energy: -177.460
where: short stacking energy: -100.693
Base-Backbone interact. energy: -0.022
local terms energy: -117.479072
where:
bonds (distance) C4'-P energy: -19.750
bonds (distance) P-C4' energy: -24.563
flat angles C4'-P-C4' energy: -26.098
flat angles P-C4'-P energy: -17.265
tors. eta vs tors. theta energy: -29.803
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: 7
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -276.943015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.943015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.969522 (E_RNA)
where:
Base-Base interactions energy: -167.920
where: short stacking energy: -88.912
Base-Backbone interact. energy: -0.253
local terms energy: -108.796581
where:
bonds (distance) C4'-P energy: -22.835
bonds (distance) P-C4' energy: -26.192
flat angles C4'-P-C4' energy: -21.414
flat angles P-C4'-P energy: -13.091
tors. eta vs tors. theta energy: -25.265
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: 433
Temperature: 1.050000
Total energy: -258.726319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.726319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.369923 (E_RNA)
where:
Base-Base interactions energy: -158.146
where: short stacking energy: -80.503
Base-Backbone interact. energy: -0.264
local terms energy: -101.960399
where:
bonds (distance) C4'-P energy: -20.066
bonds (distance) P-C4' energy: -22.097
flat angles C4'-P-C4' energy: -21.955
flat angles P-C4'-P energy: -15.387
tors. eta vs tors. theta energy: -22.456
Dist. restrs. and SS energy: 1.644 (S_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: 433
Temperature: 1.100000
Total energy: -250.550943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.550943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.933823 (E_RNA)
where:
Base-Base interactions energy: -159.510
where: short stacking energy: -76.804
Base-Backbone interact. energy: -0.544
local terms energy: -91.880528
where:
bonds (distance) C4'-P energy: -18.414
bonds (distance) P-C4' energy: -23.129
flat angles C4'-P-C4' energy: -20.940
flat angles P-C4'-P energy: -13.313
tors. eta vs tors. theta energy: -16.084
Dist. restrs. and SS energy: 1.383 (S_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: -225.677778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.677778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.782355 (E_RNA)
where:
Base-Base interactions energy: -126.762
where: short stacking energy: -66.377
Base-Backbone interact. energy: -0.074
local terms energy: -98.946205
where:
bonds (distance) C4'-P energy: -26.037
bonds (distance) P-C4' energy: -21.638
flat angles C4'-P-C4' energy: -21.429
flat angles P-C4'-P energy: -12.851
tors. eta vs tors. theta energy: -16.992
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: 6
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -220.667244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.667244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.805882 (E_RNA)
where:
Base-Base interactions energy: -127.675
where: short stacking energy: -67.906
Base-Backbone interact. energy: -0.005
local terms energy: -93.126618
where:
bonds (distance) C4'-P energy: -19.661
bonds (distance) P-C4' energy: -25.519
flat angles C4'-P-C4' energy: -21.364
flat angles P-C4'-P energy: -11.962
tors. eta vs tors. theta energy: -14.620
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: 8, replica: 10
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -233.970648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.970648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.058676 (E_RNA)
where:
Base-Base interactions energy: -134.505
where: short stacking energy: -71.100
Base-Backbone interact. energy: 1.349
local terms energy: -100.902771
where:
bonds (distance) C4'-P energy: -19.789
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -20.697
flat angles P-C4'-P energy: -18.256
tors. eta vs tors. theta energy: -23.548
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: 9, replica: 3
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -233.028179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.028179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.043336 (E_RNA)
where:
Base-Base interactions energy: -142.172
where: short stacking energy: -64.593
Base-Backbone interact. energy: -0.146
local terms energy: -91.726285
where:
bonds (distance) C4'-P energy: -22.032
bonds (distance) P-C4' energy: -22.673
flat angles C4'-P-C4' energy: -21.055
flat angles P-C4'-P energy: -4.591
tors. eta vs tors. theta energy: -21.375
Dist. restrs. and SS energy: 1.015 (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: 1
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -207.955045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.955045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.028071 (E_RNA)
where:
Base-Base interactions energy: -126.195
where: short stacking energy: -60.261
Base-Backbone interact. energy: 1.155
local terms energy: -82.988570
where:
bonds (distance) C4'-P energy: -20.213
bonds (distance) P-C4' energy: -17.461
flat angles C4'-P-C4' energy: -18.005
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -14.972
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 9
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -302.416645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.416645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.531168 (E_RNA)
where:
Base-Base interactions energy: -192.101
where: short stacking energy: -111.274
Base-Backbone interact. energy: -0.271
local terms energy: -110.159109
where:
bonds (distance) C4'-P energy: -20.579
bonds (distance) P-C4' energy: -19.220
flat angles C4'-P-C4' energy: -23.287
flat angles P-C4'-P energy: -15.080
tors. eta vs tors. theta energy: -31.992
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: 2
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -295.045220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.045220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.312128 (E_RNA)
where:
Base-Base interactions energy: -189.337
where: short stacking energy: -101.291
Base-Backbone interact. energy: -0.077
local terms energy: -107.897460
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -21.067
flat angles C4'-P-C4' energy: -22.000
flat angles P-C4'-P energy: -19.869
tors. eta vs tors. theta energy: -27.037
Dist. restrs. and SS energy: 2.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -272.584375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.584375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.594003 (E_RNA)
where:
Base-Base interactions energy: -164.220
where: short stacking energy: -90.168
Base-Backbone interact. energy: -0.864
local terms energy: -107.510063
where:
bonds (distance) C4'-P energy: -19.402
bonds (distance) P-C4' energy: -23.666
flat angles C4'-P-C4' energy: -27.252
flat angles P-C4'-P energy: -13.768
tors. eta vs tors. theta energy: -23.423
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: 434
Temperature: 1.050000
Total energy: -269.223374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.223374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.229771 (E_RNA)
where:
Base-Base interactions energy: -161.446
where: short stacking energy: -86.714
Base-Backbone interact. energy: -0.006
local terms energy: -107.778279
where:
bonds (distance) C4'-P energy: -22.662
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -20.449
flat angles P-C4'-P energy: -18.641
tors. eta vs tors. theta energy: -29.945
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -255.774979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.774979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.882799 (E_RNA)
where:
Base-Base interactions energy: -154.781
where: short stacking energy: -81.603
Base-Backbone interact. energy: -0.183
local terms energy: -100.918887
where:
bonds (distance) C4'-P energy: -18.745
bonds (distance) P-C4' energy: -24.399
flat angles C4'-P-C4' energy: -19.051
flat angles P-C4'-P energy: -16.806
tors. eta vs tors. theta energy: -21.919
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: 434
Temperature: 1.150000
Total energy: -230.803217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.803217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.968281 (E_RNA)
where:
Base-Base interactions energy: -141.854
where: short stacking energy: -79.787
Base-Backbone interact. energy: -0.139
local terms energy: -88.975805
where:
bonds (distance) C4'-P energy: -22.208
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -24.510
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -14.975
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: 10
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -234.197278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.197278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.213704 (E_RNA)
where:
Base-Base interactions energy: -146.294
where: short stacking energy: -79.452
Base-Backbone interact. energy: -0.108
local terms energy: -87.811886
where:
bonds (distance) C4'-P energy: -21.258
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -19.571
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -19.280
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -217.217566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.217566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.397617 (E_RNA)
where:
Base-Base interactions energy: -135.496
where: short stacking energy: -62.773
Base-Backbone interact. energy: -1.181
local terms energy: -82.719852
where:
bonds (distance) C4'-P energy: -20.175
bonds (distance) P-C4' energy: -22.211
flat angles C4'-P-C4' energy: -18.794
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -11.391
Dist. restrs. and SS energy: 2.180 (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: 1
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -199.183663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.183663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.183663 (E_RNA)
where:
Base-Base interactions energy: -121.296
where: short stacking energy: -63.718
Base-Backbone interact. energy: -0.614
local terms energy: -77.273528
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -17.304
flat angles C4'-P-C4' energy: -24.772
flat angles P-C4'-P energy: -13.604
tors. eta vs tors. theta energy: -7.877
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -190.199104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.199104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.299730 (E_RNA)
where:
Base-Base interactions energy: -113.339
where: short stacking energy: -54.967
Base-Backbone interact. energy: -0.390
local terms energy: -76.570197
where:
bonds (distance) C4'-P energy: -21.262
bonds (distance) P-C4' energy: -24.501
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -4.889
tors. eta vs tors. theta energy: -9.033
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 9
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -300.325623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.325623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.403536 (E_RNA)
where:
Base-Base interactions energy: -181.597
where: short stacking energy: -110.350
Base-Backbone interact. energy: -0.000
local terms energy: -118.805840
where:
bonds (distance) C4'-P energy: -24.580
bonds (distance) P-C4' energy: -23.560
flat angles C4'-P-C4' energy: -26.825
flat angles P-C4'-P energy: -12.778
tors. eta vs tors. theta energy: -31.063
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: 2
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -293.724935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.724935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.762175 (E_RNA)
where:
Base-Base interactions energy: -177.424
where: short stacking energy: -113.571
Base-Backbone interact. energy: -0.033
local terms energy: -116.304919
where:
bonds (distance) C4'-P energy: -22.939
bonds (distance) P-C4' energy: -23.417
flat angles C4'-P-C4' energy: -24.073
flat angles P-C4'-P energy: -16.813
tors. eta vs tors. theta energy: -29.063
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: 7
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -274.926342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.926342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.160208 (E_RNA)
where:
Base-Base interactions energy: -166.555
where: short stacking energy: -94.859
Base-Backbone interact. energy: -0.247
local terms energy: -108.357542
where:
bonds (distance) C4'-P energy: -20.208
bonds (distance) P-C4' energy: -22.337
flat angles C4'-P-C4' energy: -22.851
flat angles P-C4'-P energy: -19.223
tors. eta vs tors. theta energy: -23.739
Dist. restrs. and SS energy: 0.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -266.430789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.430789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.772553 (E_RNA)
where:
Base-Base interactions energy: -160.000
where: short stacking energy: -88.234
Base-Backbone interact. energy: 1.140
local terms energy: -107.912237
where:
bonds (distance) C4'-P energy: -22.148
bonds (distance) P-C4' energy: -20.308
flat angles C4'-P-C4' energy: -21.968
flat angles P-C4'-P energy: -14.743
tors. eta vs tors. theta energy: -28.744
Dist. restrs. and SS energy: 0.342 (S_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: 435
Temperature: 1.100000
Total energy: -256.571175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.571175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.962927 (E_RNA)
where:
Base-Base interactions energy: -153.265
where: short stacking energy: -87.134
Base-Backbone interact. energy: -0.016
local terms energy: -103.681756
where:
bonds (distance) C4'-P energy: -18.659
bonds (distance) P-C4' energy: -25.318
flat angles C4'-P-C4' energy: -22.305
flat angles P-C4'-P energy: -16.495
tors. eta vs tors. theta energy: -20.905
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: 6, replica: 10
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -242.912241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.912241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.919989 (E_RNA)
where:
Base-Base interactions energy: -150.898
where: short stacking energy: -75.455
Base-Backbone interact. energy: -0.198
local terms energy: -91.824602
where:
bonds (distance) C4'-P energy: -16.332
bonds (distance) P-C4' energy: -19.997
flat angles C4'-P-C4' energy: -24.954
flat angles P-C4'-P energy: -14.756
tors. eta vs tors. theta energy: -15.786
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: 435
Temperature: 1.200000
Total energy: -212.858137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.858137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.085004 (E_RNA)
where:
Base-Base interactions energy: -123.384
where: short stacking energy: -61.635
Base-Backbone interact. energy: -0.174
local terms energy: -89.526909
where:
bonds (distance) C4'-P energy: -21.238
bonds (distance) P-C4' energy: -22.343
flat angles C4'-P-C4' energy: -19.128
flat angles P-C4'-P energy: -14.599
tors. eta vs tors. theta energy: -12.220
Dist. restrs. and SS energy: 0.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -217.735437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.735437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.217459 (E_RNA)
where:
Base-Base interactions energy: -133.037
where: short stacking energy: -71.510
Base-Backbone interact. energy: -1.137
local terms energy: -84.044101
where:
bonds (distance) C4'-P energy: -21.733
bonds (distance) P-C4' energy: -19.147
flat angles C4'-P-C4' energy: -19.632
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: -14.614
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: 9, replica: 1
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -199.383242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.383242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.412676 (E_RNA)
where:
Base-Base interactions energy: -125.259
where: short stacking energy: -59.944
Base-Backbone interact. energy: -0.606
local terms energy: -73.547724
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -20.249
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -14.117
tors. eta vs tors. theta energy: -10.336
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: 3
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -199.321678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.321678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.529265 (E_RNA)
where:
Base-Base interactions energy: -112.798
where: short stacking energy: -57.845
Base-Backbone interact. energy: -0.610
local terms energy: -86.121656
where:
bonds (distance) C4'-P energy: -19.744
bonds (distance) P-C4' energy: -23.441
flat angles C4'-P-C4' energy: -18.215
flat angles P-C4'-P energy: -12.522
tors. eta vs tors. theta energy: -12.200
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)